smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000004081453 290670650 /nfs/dbraw/zinc/67/06/50/290670650.db2.gz MQYXUWHLBZFQQO-BQCGOYODSA-N 0 0 426.729 8.025 50 30 biogenic,in-vitro IKEARN COc1ccc(Br)cc1-c1nc(COc2ccc(C#N)cc2OC)cs1 ZINC000012804216 121308180 /nfs/dbraw/zinc/30/81/80/121308180.db2.gz GOYMDCOTXGOCHO-UHFFFAOYSA-N 0 0 431.311 5.040 50 30 IKEARN CCN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccc(F)cc2)C1=O ZINC000102144316 123570279 /nfs/dbraw/zinc/57/02/79/123570279.db2.gz OBWRFYOVKSJAFR-NPGCFZLRSA-N 0 0 447.560 6.395 50 30 IKEARN Cc1ccccc1C(=NS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1 ZINC000006168916 193887798 /nfs/dbraw/zinc/88/77/98/193887798.db2.gz NDIZGRQJLRJAJX-UHFFFAOYSA-N 0 0 429.339 5.005 50 30 IKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000006177753 193888456 /nfs/dbraw/zinc/88/84/56/193888456.db2.gz QAVGOCZZKVGYNY-BUBBNXEVSA-N 0 0 437.531 5.094 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000632302 132228183 /nfs/dbraw/zinc/22/81/83/132228183.db2.gz XPHYUPWVHUQVMC-UHFFFAOYSA-N 0 0 429.955 5.210 50 30 IKEARN Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 ZINC000000691010 132229420 /nfs/dbraw/zinc/22/94/20/132229420.db2.gz GKFBVCFBFCUTNX-UHFFFAOYSA-N 0 0 437.977 6.145 50 30 IKEARN C[C@H]1CCc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c(C#N)cc2C1 ZINC000000688336 132229453 /nfs/dbraw/zinc/22/94/53/132229453.db2.gz XPSXZBKURPIYAJ-INIZCTEOSA-N 0 0 443.597 6.000 50 30 IKEARN CCCc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2c3ccccc3nc2c1C#N ZINC000001472975 132245910 /nfs/dbraw/zinc/24/59/10/132245910.db2.gz HZCZTCLDLAILOH-UHFFFAOYSA-N 0 0 429.955 5.292 50 30 IKEARN S=C(NN=C1c2ccccc2-c2ccccc21)NC1c2ccccc2Oc2ccccc21 ZINC000001951319 518203812 /nfs/dbraw/zinc/20/38/12/518203812.db2.gz GGXDCRIDRICOHY-UHFFFAOYSA-N 0 0 433.536 5.779 50 30 IKEARN C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1ccccc1F)C2 ZINC000012191596 518251929 /nfs/dbraw/zinc/25/19/29/518251929.db2.gz YIDFQIOOKBTSOB-UHFFFAOYSA-N 0 0 435.520 5.300 50 30 IKEARN CC(=O)c1cc(C#N)c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nc1C ZINC000012793702 518253634 /nfs/dbraw/zinc/25/36/34/518253634.db2.gz TZCSIHVRHXGKEJ-UHFFFAOYSA-N 0 0 439.556 5.057 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000008984622 518264633 /nfs/dbraw/zinc/26/46/33/518264633.db2.gz HMIZZPZCZKYDCR-HZHRSRAPSA-N 0 0 429.497 5.097 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000013895083 518265174 /nfs/dbraw/zinc/26/51/74/518265174.db2.gz ZHMHTLPHAAKZPY-LICLKQGHSA-N 0 0 436.291 5.381 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000002164800 518317418 /nfs/dbraw/zinc/31/74/18/518317418.db2.gz ZLOQDEMQFPTAIE-YVLHZVERSA-N 0 0 434.300 5.255 50 30 IKEARN C#Cc1cccc(NC(=O)CSc2nc3c(c(/C=C\c4ccccc4)c2C#N)CCC3)c1 ZINC000012370020 518363478 /nfs/dbraw/zinc/36/34/78/518363478.db2.gz UKNUZPZNGZQFMW-PFONDFGASA-N 0 0 435.552 5.324 50 30 IKEARN c1ccc(Nc2nc(N=NCc3ccc4ccccc4c3)nc(Nc3ccccc3)n2)cc1 ZINC000023550118 518376020 /nfs/dbraw/zinc/37/60/20/518376020.db2.gz BYBWEFGYDAXGQI-OVVQPSECSA-N 0 0 431.503 5.958 50 30 IKEARN c1sc(N=NCc2c(OCc3ccccc3)ccc3ccccc32)nc1-c1ccccc1 ZINC000012285068 518377052 /nfs/dbraw/zinc/37/70/52/518377052.db2.gz JSIXWYSIJCQBSD-OGLMXYFKSA-N 0 0 435.552 6.988 50 30 IKEARN c1ccc(Oc2cccc(CN=Nc3nnc(-c4ccccc4)c(-c4ccccc4)n3)c2)cc1 ZINC000009331252 518377854 /nfs/dbraw/zinc/37/78/54/518377854.db2.gz SCOPQLAKHUHVSQ-ZTKZIYFRSA-N 0 0 443.510 6.444 50 30 IKEARN C/C(=N/OCc1ccc(C#N)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843449 518455376 /nfs/dbraw/zinc/45/53/76/518455376.db2.gz IKUJVWVZVVTAAZ-GTWSWNCMSA-N 0 0 437.518 6.713 50 30 IKEARN C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C ZINC000035843372 518456550 /nfs/dbraw/zinc/45/65/50/518456550.db2.gz OOORRRANWPXXFS-MIXAMLLLSA-N 0 0 432.926 7.186 50 30 IKEARN C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C ZINC000035843443 518457720 /nfs/dbraw/zinc/45/77/20/518457720.db2.gz YLSRXAAFUYSOPU-OFWBYEQRSA-N 0 0 426.535 7.149 50 30 IKEARN C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C ZINC000035843422 518457996 /nfs/dbraw/zinc/45/79/96/518457996.db2.gz KMTRVHAUZQJQBN-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000012342949 518459118 /nfs/dbraw/zinc/45/91/18/518459118.db2.gz ZPMUQRJHSHASDR-VNSNFZHPSA-N 0 0 438.358 5.761 50 30 IKEARN C/C(=N\N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000033679687 518460804 /nfs/dbraw/zinc/46/08/04/518460804.db2.gz AOSPMPNFGJAMCT-HKGWMZNFSA-N 0 0 438.383 6.838 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000035653446 518467430 /nfs/dbraw/zinc/46/74/30/518467430.db2.gz WUSLPFZLFSUQPD-NUGSKGIGSA-N 0 0 431.175 7.260 50 30 IKEARN C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2c(ccc3ccccc32)oc1=O ZINC000027520373 518467680 /nfs/dbraw/zinc/46/76/80/518467680.db2.gz PBQWFUJNUPEGTJ-MZJWZYIUSA-N 0 0 445.931 6.559 50 30 IKEARN Cc1nnc(N=NC(C)c2ccc(Cl)cc2)nc1N=NC(C)c1ccc(Cl)cc1 ZINC000009970910 518468781 /nfs/dbraw/zinc/46/87/81/518468781.db2.gz SPHQJWXMLNENRF-DWGHPKEWSA-N 0 0 428.327 5.159 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@](C)(CC)OC3 ZINC000002305115 518625120 /nfs/dbraw/zinc/62/51/20/518625120.db2.gz RJTBMKBGGHPUKJ-QHCPKHFHSA-N 0 0 426.607 5.665 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001784006 518625687 /nfs/dbraw/zinc/62/56/87/518625687.db2.gz BWGOAKXXXQUWAN-UHFFFAOYSA-N 0 0 444.600 5.944 50 30 IKEARN C=C(C)CSc1nnc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000039976026 518627336 /nfs/dbraw/zinc/62/73/36/518627336.db2.gz ARYUMAQZFJAVMX-LJQANCHMSA-N 0 0 441.647 5.399 50 30 IKEARN C=C(C)Cn1c(SC/C=C(/C)Cl)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002308182 518639000 /nfs/dbraw/zinc/63/90/00/518639000.db2.gz ZWJBTYOPCGVZIP-UVTDQMKNSA-N 0 0 429.010 6.034 50 30 IKEARN C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000001747637 518640201 /nfs/dbraw/zinc/64/02/01/518640201.db2.gz BJPLPZMWITYWRJ-UHFFFAOYSA-N 0 0 428.601 6.147 50 30 biogenic IKEARN C=C(C)[C@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)CC1 ZINC000071928318 518643890 /nfs/dbraw/zinc/64/38/90/518643890.db2.gz NRLHFCLKMFBIIK-CCLHPLFOSA-N 0 0 438.011 6.607 50 30 IKEARN C=C(C)[C@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)CC1 ZINC000022023242 518644288 /nfs/dbraw/zinc/64/42/88/518644288.db2.gz NRLHFCLKMFBIIK-DCFHFQCYSA-N 0 0 438.011 6.607 50 30 IKEARN C=CCCC(=O)N1CCOc2c(cc(-c3cccc(Cl)c3)cc2OCc2ccco2)C1 ZINC000012244661 518694144 /nfs/dbraw/zinc/69/41/44/518694144.db2.gz JPTNHYZDMAJJOJ-UHFFFAOYSA-N 0 0 437.923 5.866 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2ccc(C)s2)o1 ZINC000036203521 518698812 /nfs/dbraw/zinc/69/88/12/518698812.db2.gz YGHHAKBWDATVNZ-UHFFFAOYSA-N 0 0 425.594 6.565 50 30 IKEARN C=CCN(C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1)c1nc(-c2ccccc2)cs1 ZINC000014229469 518730196 /nfs/dbraw/zinc/73/01/96/518730196.db2.gz CBKMHAHHWHKFTJ-YQQQUEKLSA-N 0 0 442.675 5.942 50 30 IKEARN C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000003350565 518737921 /nfs/dbraw/zinc/73/79/21/518737921.db2.gz NWFJKLDXXVVUBL-UHFFFAOYSA-N 0 0 425.513 5.676 50 30 IKEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)Nc1ccccc1CC ZINC000035766378 518745476 /nfs/dbraw/zinc/74/54/76/518745476.db2.gz JKRLMWFOSWMMPA-UHFFFAOYSA-N 0 0 431.536 5.091 50 30 IKEARN C=CCN(CC=C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000009994665 518767192 /nfs/dbraw/zinc/76/71/92/518767192.db2.gz MZAPZNQSLWJYLY-INIZCTEOSA-N 0 0 442.650 6.027 50 30 IKEARN C=CCN(CCc1ccccc1)C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 ZINC000060302713 518773802 /nfs/dbraw/zinc/77/38/02/518773802.db2.gz PNLPUOPXGGMLEP-UHFFFAOYSA-N 0 0 429.351 5.007 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)SC1=S ZINC000012629723 518827262 /nfs/dbraw/zinc/82/72/62/518827262.db2.gz RNOCWFLRPCOQEB-BOPFTXTBSA-N 0 0 433.913 5.086 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1 ZINC000013879988 518846526 /nfs/dbraw/zinc/84/65/26/518846526.db2.gz RQYTZFCFQAGKKK-DJUDNFEDSA-N 0 0 434.348 5.140 50 30 IKEARN C=CCN1c2ccccc2C(c2cn(C)c3ccccc32)(c2cn(C)c3ccccc32)C1=O ZINC000008398367 518877647 /nfs/dbraw/zinc/87/76/47/518877647.db2.gz YLEVXVOCCSLZLX-UHFFFAOYSA-N 0 0 431.539 5.537 50 30 IKEARN C=CCNC(=O)/C(NC(=O)c1ccccc1)=C(/Sc1ccc(Cl)cc1)c1ccccc1 ZINC000017282221 518880882 /nfs/dbraw/zinc/88/08/82/518880882.db2.gz BCCVPYSEHREEFF-FCQUAONHSA-N 0 0 448.975 5.533 50 30 IKEARN CC(C)(C)Oc1ccc(C[C@@H](C=O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000096179335 518891060 /nfs/dbraw/zinc/89/10/60/518891060.db2.gz QCTFVRXYCSNFDR-FQEVSTJZSA-N 0 0 443.543 5.513 50 30 IKEARN C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095139 518912116 /nfs/dbraw/zinc/91/21/16/518912116.db2.gz CUNYULOBYNDRQS-XHCCPWGMSA-N 0 0 449.554 5.379 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3c(Cl)cccc3Cl)sc2C1 ZINC000035109743 518943824 /nfs/dbraw/zinc/94/38/24/518943824.db2.gz AEFNJFRNTLIMGK-ASCRHOAZSA-N 0 0 433.404 6.729 50 30 IKEARN C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OCC ZINC000012865705 519000443 /nfs/dbraw/zinc/00/04/43/519000443.db2.gz WMMRJZMTMJQSQJ-SOFGYWHQSA-N 0 0 433.298 5.023 50 30 IKEARN C=CCOc1ccc(/C=C(\C(=O)c2ccc(OCC)cc2)c2nc3ccccc3s2)cc1 ZINC000027018248 519010250 /nfs/dbraw/zinc/01/02/50/519010250.db2.gz BEYRWXBXCGKPOC-PTGBLXJZSA-N 0 0 441.552 6.683 50 30 IKEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 ZINC000013656296 519012621 /nfs/dbraw/zinc/01/26/21/519012621.db2.gz IQRUMJSJJLPXDB-MYYYXRDXSA-N 0 0 442.511 5.723 50 30 IKEARN CC(C)(C)c1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000008739947 519012726 /nfs/dbraw/zinc/01/27/26/519012726.db2.gz SEOOWLFRCFIBHY-OVVQPSECSA-N 0 0 437.551 6.102 50 30 IKEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161383 519014945 /nfs/dbraw/zinc/01/49/45/519014945.db2.gz SAOLDZFRNIJFBY-UYRXBGFRSA-N 0 0 443.366 5.468 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009472351 519023006 /nfs/dbraw/zinc/02/30/06/519023006.db2.gz BHJIBJSFOXOHQP-JOCHJYFZSA-N 0 0 449.890 5.276 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009969609 519024735 /nfs/dbraw/zinc/02/47/35/519024735.db2.gz SYGILBHLEIZYAT-QFIPXVFZSA-N 0 0 449.890 5.276 50 30 IKEARN C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)cc1 ZINC000016753910 519027813 /nfs/dbraw/zinc/02/78/13/519027813.db2.gz QDLPTNRLWOEUAK-UHFFFAOYSA-N 0 0 437.496 5.131 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000009216354 519029977 /nfs/dbraw/zinc/02/99/77/519029977.db2.gz GWNCCVGLRPMTRM-XCZPVHLTSA-N 0 0 440.543 6.281 50 30 IKEARN C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000102681237 519044594 /nfs/dbraw/zinc/04/45/94/519044594.db2.gz LYFJQNSFHABRNL-AHWVRZQESA-N 0 0 430.935 6.456 50 30 IKEARN C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000036352124 519044616 /nfs/dbraw/zinc/04/46/16/519044616.db2.gz LYFJQNSFHABRNL-RSXGOPAZSA-N 0 0 430.935 6.456 50 30 IKEARN C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891211 519044881 /nfs/dbraw/zinc/04/48/81/519044881.db2.gz MDQJWAGFKBFPFY-NRFANRHFSA-N 0 0 448.573 5.130 50 30 IKEARN C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892383 519045266 /nfs/dbraw/zinc/04/52/66/519045266.db2.gz BBCGQJBABSMVJK-NRFANRHFSA-N 0 0 425.941 5.174 50 30 IKEARN C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012192573 519049042 /nfs/dbraw/zinc/04/90/42/519049042.db2.gz LYFJQNSFHABRNL-AOYPEHQESA-N 0 0 430.935 6.456 50 30 IKEARN C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891215 519049598 /nfs/dbraw/zinc/04/95/98/519049598.db2.gz MDQJWAGFKBFPFY-OAQYLSRUSA-N 0 0 448.573 5.130 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000013570404 519049580 /nfs/dbraw/zinc/04/95/80/519049580.db2.gz WFQNFNYXSFIFKB-QFIPXVFZSA-N 0 0 446.934 5.815 50 30 IKEARN C=CCOc1ccc2c(c1)C(N=Nc1ccsc1C(=O)OC)c1cc(OCC=C)ccc1-2 ZINC000020615551 519049850 /nfs/dbraw/zinc/04/98/50/519049850.db2.gz VVRGCACTRUYYPV-UHFFFAOYSA-N 0 0 446.528 5.509 50 30 IKEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271470 519073682 /nfs/dbraw/zinc/07/36/82/519073682.db2.gz RDSDHBQRIHOBTQ-QGZVFWFLSA-N 0 0 430.533 5.138 50 30 IKEARN C=CCSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2OC)s1 ZINC000023054823 519077852 /nfs/dbraw/zinc/07/78/52/519077852.db2.gz DRXFDEOWYKGBNI-UHFFFAOYSA-N 0 0 444.607 5.299 50 30 IKEARN CC(C)(C)c1csc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 ZINC000012367053 519078403 /nfs/dbraw/zinc/07/84/03/519078403.db2.gz ONCUBHSOJFKTNQ-OPEKNORGSA-N 0 0 448.470 6.481 50 30 IKEARN C=CCSc1nnc(-c2nnc(SCC=C)n2-c2ccccc2)n1-c1ccccc1 ZINC000002701969 519084773 /nfs/dbraw/zinc/08/47/73/519084773.db2.gz DIADNKYQFUVIQG-UHFFFAOYSA-N 0 0 432.578 5.071 50 30 IKEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000012402395 519085835 /nfs/dbraw/zinc/08/58/35/519085835.db2.gz UFQDBJPXIVEBOS-ZDUSSCGKSA-N 0 0 431.608 5.041 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c3ccccc31)Nc1ccccc1-2 ZINC000002073655 519092497 /nfs/dbraw/zinc/09/24/97/519092497.db2.gz KTYFTAHHIRPSFF-QFIPXVFZSA-N 0 0 428.517 5.482 50 30 IKEARN C=CCc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O ZINC000017167005 519126402 /nfs/dbraw/zinc/12/64/02/519126402.db2.gz DOXZLRUSQVIDQR-ODLFYWEKSA-N 0 0 428.941 5.373 50 30 IKEARN C=CCc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3OC)NC2=O)cc(OCC)c1O ZINC000017299716 519126604 /nfs/dbraw/zinc/12/66/04/519126604.db2.gz RXUJJYLQCCASHP-ODLFYWEKSA-N 0 0 444.940 5.073 50 30 IKEARN C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2nc3ccccc3s2)c1=S ZINC000012993331 519148049 /nfs/dbraw/zinc/14/80/49/519148049.db2.gz KEVVZJJHWYMPOJ-UHFFFAOYSA-N 0 0 442.013 5.620 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1F ZINC000101425162 519148886 /nfs/dbraw/zinc/14/88/86/519148886.db2.gz NYERKWMLQMHCRD-SGEDCAFJSA-N 0 0 443.547 6.335 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=O)c1ccc(F)cc1 ZINC000001465350 519154286 /nfs/dbraw/zinc/15/42/86/519154286.db2.gz WLRZYXGJCPDRBP-UHFFFAOYSA-N 0 0 426.494 5.018 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1cc3ccccc3o1)sc1c2CCCC1 ZINC000000678341 519156973 /nfs/dbraw/zinc/15/69/73/519156973.db2.gz TUDRXMCSWKCLAT-UHFFFAOYSA-N 0 0 436.558 5.244 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1C ZINC000012542091 519171207 /nfs/dbraw/zinc/17/12/07/519171207.db2.gz AQQAZXFQQYWAEM-UHFFFAOYSA-N 0 0 429.589 5.858 50 30 IKEARN C=CCn1c(CNC(=O)c2cccs2)nnc1SCc1ccc(Cl)cc1Cl ZINC000008682777 519181912 /nfs/dbraw/zinc/18/19/12/519181912.db2.gz XNFVFHWAYAFTOI-UHFFFAOYSA-N 0 0 439.393 5.055 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000009479361 519183977 /nfs/dbraw/zinc/18/39/77/519183977.db2.gz RLERXAIBUPHBSO-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002446756 519188668 /nfs/dbraw/zinc/18/86/68/519188668.db2.gz BOESGQXQAXTDCE-UHFFFAOYSA-N 0 0 441.556 5.685 50 30 IKEARN C=CCn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1 ZINC000012379137 519191019 /nfs/dbraw/zinc/19/10/19/519191019.db2.gz HEVBSKFUNNBVNH-UHFFFAOYSA-N 0 0 445.013 5.282 50 30 IKEARN C=CCn1c(SC2CCCC2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000012954075 519197871 /nfs/dbraw/zinc/19/78/71/519197871.db2.gz GYDSZTRUTNJHHW-UHFFFAOYSA-N 0 0 440.520 5.135 50 30 IKEARN C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccoc1C ZINC000032946274 519202906 /nfs/dbraw/zinc/20/29/06/519202906.db2.gz KFXLDPURZGAPTH-HNNXBMFYSA-N 0 0 440.594 5.042 50 30 IKEARN C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc32)nnc1C1CCCCC1 ZINC000014069088 519209459 /nfs/dbraw/zinc/20/94/59/519209459.db2.gz RPGIOVUKWCYEEQ-GOSISDBHSA-N 0 0 434.609 5.635 50 30 IKEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009261470 519209654 /nfs/dbraw/zinc/20/96/54/519209654.db2.gz AFXVEHLHXHVVBO-YOEHRIQHSA-N 0 0 444.988 5.318 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC ZINC000002206409 519212739 /nfs/dbraw/zinc/21/27/39/519212739.db2.gz OAJORYSCEOSTNZ-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002444756 519215192 /nfs/dbraw/zinc/21/51/92/519215192.db2.gz BYDIPKQVEHVZHB-UHFFFAOYSA-N 0 0 438.572 5.607 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1Cl ZINC000002453721 519218882 /nfs/dbraw/zinc/21/88/82/519218882.db2.gz CJTCLKREEGPQPM-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F ZINC000001078520 519221357 /nfs/dbraw/zinc/22/13/57/519221357.db2.gz CDYCKGHBPGOWND-UHFFFAOYSA-N 0 0 436.434 5.020 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(C)cc1 ZINC000003323489 519224258 /nfs/dbraw/zinc/22/42/58/519224258.db2.gz HDZUYLPPPUYYAE-UHFFFAOYSA-N 0 0 440.572 5.837 50 30 IKEARN C=CCn1c(SCCOc2ccccc2OC)nnc1-c1cc2cccc(OC)c2o1 ZINC000009289737 519235385 /nfs/dbraw/zinc/23/53/85/519235385.db2.gz PFEZJMWSCNGXLL-UHFFFAOYSA-N 0 0 437.521 5.066 50 30 IKEARN C=CCn1c(SCc2ccc(C(=O)N[C@@H](C)CC)cc2)nnc1-c1ccccc1Cl ZINC000037398173 519238774 /nfs/dbraw/zinc/23/87/74/519238774.db2.gz CQIRTIWPQCPQCF-INIZCTEOSA-N 0 0 441.000 5.605 50 30 IKEARN C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1-c1cc(OC)cc(OC)c1 ZINC000035847674 519245990 /nfs/dbraw/zinc/24/59/90/519245990.db2.gz CGFFMNMQTKKAPR-UHFFFAOYSA-N 0 0 435.471 5.459 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1C1CCCCC1 ZINC000012759304 519253028 /nfs/dbraw/zinc/25/30/28/519253028.db2.gz KTNTZXFHYGTLAT-KRWDZBQOSA-N 0 0 440.613 5.614 50 30 IKEARN C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013114908 519253289 /nfs/dbraw/zinc/25/32/89/519253289.db2.gz GWKHTAVDCJCUSM-KRWDZBQOSA-N 0 0 445.592 6.332 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(O)c(OCC)c3)c12 ZINC000012686949 519265437 /nfs/dbraw/zinc/26/54/37/519265437.db2.gz UIVYHMNIJIOCNH-ZHACJKMWSA-N 0 0 435.911 5.437 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OC)c3OC(C)C)c12 ZINC000012682948 519265534 /nfs/dbraw/zinc/26/55/34/519265534.db2.gz JPNYFBISCKGSCB-CCEZHUSRSA-N 0 0 429.520 5.475 50 30 IKEARN CC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000001889276 519354431 /nfs/dbraw/zinc/35/44/31/519354431.db2.gz OUNDRYKKCDOETG-SLEBQGDGSA-N 0 0 427.533 5.349 50 30 IKEARN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1OCc1ccccc1Cl ZINC000001126860 519370480 /nfs/dbraw/zinc/37/04/80/519370480.db2.gz OWEOKUOWFOPUEG-DEOSSOPVSA-N 0 0 448.975 5.438 50 30 IKEARN CC(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681679 519531962 /nfs/dbraw/zinc/53/19/62/519531962.db2.gz VEAHUEAEPJJBDN-UHFFFAOYSA-N 0 0 434.192 5.315 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674132 519640406 /nfs/dbraw/zinc/64/04/06/519640406.db2.gz MDSSCXDGYAOCPG-SSOJOUAXSA-N 0 0 443.459 5.108 50 30 IKEARN CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000257348654 519757001 /nfs/dbraw/zinc/75/70/01/519757001.db2.gz HTZDJVPKUOXQMG-CBUWRSOLSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000253499152 519757262 /nfs/dbraw/zinc/75/72/62/519757262.db2.gz UOCUEIOMIAYZNI-KYBQMFBKSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc4c(c3)nc(C)n4-c3ccccc3)cc2)cc1 ZINC000013284112 519758766 /nfs/dbraw/zinc/75/87/66/519758766.db2.gz KDBLRYRHQDNAKV-NDZAJKAJSA-N 0 0 445.522 6.677 50 30 IKEARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1 ZINC000012564702 519762034 /nfs/dbraw/zinc/76/20/34/519762034.db2.gz IFTXIOHUBCQHFX-NTCAYCPXSA-N 0 0 428.557 6.532 50 30 IKEARN CC(C)Oc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000021548866 519778491 /nfs/dbraw/zinc/77/84/91/519778491.db2.gz LOUFPBQVJNQDLB-QNGOZBTKSA-N 0 0 428.444 5.947 50 30 IKEARN CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000013568678 519781585 /nfs/dbraw/zinc/78/15/85/519781585.db2.gz YSNMAQAFVVBILW-QYBDOPJKSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Oc1ccccc1/C=C1/CN(C(C)C)C/C(=C/c2ccccc2OC(C)C)C1=O ZINC000020115293 519783811 /nfs/dbraw/zinc/78/38/11/519783811.db2.gz WTVQJPKMQSAAIS-URXAUHHJSA-N 0 0 433.592 6.021 50 30 IKEARN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3)C2)cc1 ZINC000009546508 519839426 /nfs/dbraw/zinc/83/94/26/519839426.db2.gz ACPGPSJEZKUOPU-DWACAAAGSA-N 0 0 433.555 6.575 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009428408 519840256 /nfs/dbraw/zinc/84/02/56/519840256.db2.gz QTVOMAAFYBSOLN-QFIPXVFZSA-N 0 0 446.459 5.090 50 30 IKEARN CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3)C2)cc1 ZINC000009546507 519840334 /nfs/dbraw/zinc/84/03/34/519840334.db2.gz ACPGPSJEZKUOPU-DFHRPNOPSA-N 0 0 433.555 6.575 50 30 IKEARN CC(C)c1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018195454 519840427 /nfs/dbraw/zinc/84/04/27/519840427.db2.gz OEXREUAVLDQMGN-JOCHJYFZSA-N 0 0 427.548 5.902 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008431452 519911110 /nfs/dbraw/zinc/91/11/10/519911110.db2.gz CNNWALFBTGPNRD-RUZDIDTESA-N 0 0 447.535 5.928 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000018107295 519929158 /nfs/dbraw/zinc/92/91/58/519929158.db2.gz WODPAPKCXDYOQJ-MYUZEXMDSA-N 0 0 444.531 6.354 50 30 IKEARN CCCCCCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(OC)cc1 ZINC000102993475 519962972 /nfs/dbraw/zinc/96/29/72/519962972.db2.gz HCSCTSGOISSZSW-UHFFFAOYSA-N 0 0 425.960 6.500 50 30 IKEARN CCCCCCCC(=O)Nc1ccc(C(=O)OC2CCCCCCCCCCC2)cc1 ZINC000098001345 519966467 /nfs/dbraw/zinc/96/64/67/519966467.db2.gz SFLOWAKRMJXDBT-UHFFFAOYSA-N 0 0 429.645 7.816 50 30 IKEARN CCCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000098021497 519967234 /nfs/dbraw/zinc/96/72/34/519967234.db2.gz YVSZQXPIRGFJGJ-UHFFFAOYSA-N 0 0 445.532 5.831 50 30 IKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3Br)C2=N)S1 ZINC000059222159 519971402 /nfs/dbraw/zinc/97/14/02/519971402.db2.gz IHUGNZYRDWKPHS-MZHXHZAKSA-N 0 0 433.375 5.429 50 30 IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000032790548 519971484 /nfs/dbraw/zinc/97/14/84/519971484.db2.gz IPOLTUVFXFHAHI-WHIOSMTNSA-O 0 0 426.662 6.117 50 30 in-man IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2C)c1 ZINC000098021416 519972629 /nfs/dbraw/zinc/97/26/29/519972629.db2.gz AHUKAYBNSUTHKY-SANMLTNESA-N 0 0 438.637 6.771 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000098022934 519973320 /nfs/dbraw/zinc/97/33/20/519973320.db2.gz VXNVHNQTCVOTEH-VWLOTQADSA-N 0 0 442.600 6.602 50 30 IKEARN CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000254385424 519979837 /nfs/dbraw/zinc/97/98/37/519979837.db2.gz LBERVHLCXUMDOT-QAUFCQNWSA-N 0 0 442.684 7.571 50 30 IKEARN CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000102999930 519981248 /nfs/dbraw/zinc/98/12/48/519981248.db2.gz AVZXDVYUGXMUGP-SFHVURJKSA-N 0 0 430.618 5.569 50 30 IKEARN CCCCCCCCCCCC(=O)Oc1ccc(C2CCC(CCCCC)CC2)cc1 ZINC000097997008 519983838 /nfs/dbraw/zinc/98/38/38/519983838.db2.gz FRFLLLHKXZHUFP-UHFFFAOYSA-N 0 0 428.701 9.367 50 30 biogenic IKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C[C@@H]1CCCO1 ZINC000103000676 519986226 /nfs/dbraw/zinc/98/62/26/519986226.db2.gz CSBDKMOBKAWYRC-QFIPXVFZSA-N 0 0 449.636 5.630 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1OC ZINC000100284835 519993094 /nfs/dbraw/zinc/99/30/94/519993094.db2.gz GLMPERVJHKLVCS-UHFFFAOYSA-N 0 0 433.677 7.452 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Oc1cccc2cccnc21 ZINC000100815800 519994389 /nfs/dbraw/zinc/99/43/89/519994389.db2.gz FTYAGUVZSBNZKR-UHFFFAOYSA-N 0 0 440.672 8.585 50 30 IKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000101018247 520000682 /nfs/dbraw/zinc/00/06/82/520000682.db2.gz YKPMXKYURKPASW-UHFFFAOYSA-N 0 0 446.053 7.503 50 30 IKEARN CCCCCCCCCCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3C(C)(C)N2C1=O ZINC000070672731 520008316 /nfs/dbraw/zinc/00/83/16/520008316.db2.gz ZBKQFXRPCCOFIV-QHCPKHFHSA-N 0 0 437.628 6.513 50 30 biogenic IKEARN CCCCCCCCCCCCn1nnnc1/C(=N/OCc1ccccc1)C(=O)OCC ZINC000102320628 520015680 /nfs/dbraw/zinc/01/56/80/520015680.db2.gz IQJMPXHAWPXVRM-ROMGYVFFSA-N 0 0 443.592 5.078 50 30 IKEARN CCCCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097995853 520021939 /nfs/dbraw/zinc/02/19/39/520021939.db2.gz PGQBRQVODLBIJE-UHFFFAOYSA-N 0 0 441.524 6.154 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(C)cc2)cc1 ZINC000100283742 520023222 /nfs/dbraw/zinc/02/32/22/520023222.db2.gz YGWLYJNWUSSFAG-UHFFFAOYSA-N 0 0 426.601 6.715 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOCc2ccccc2)cc1 ZINC000100282468 520023606 /nfs/dbraw/zinc/02/36/06/520023606.db2.gz GBYNBHQEZSUWNN-UHFFFAOYSA-N 0 0 426.601 6.544 50 30 IKEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 ZINC000097949515 520023900 /nfs/dbraw/zinc/02/39/00/520023900.db2.gz BERUUKRLGMWXQI-UHFFFAOYSA-N 0 0 442.629 5.013 50 30 IKEARN CCCCCCCCCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000050704700 520029863 /nfs/dbraw/zinc/02/98/63/520029863.db2.gz CWBBGOHZQWTGPJ-UHFFFAOYSA-N 0 0 440.591 7.541 50 30 IKEARN CCCCCCCCCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000100688359 520031105 /nfs/dbraw/zinc/03/11/05/520031105.db2.gz PULPXYOISJSLKT-UHFFFAOYSA-N 0 0 436.666 5.627 50 30 IKEARN CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC ZINC000006921190 520041181 /nfs/dbraw/zinc/04/11/81/520041181.db2.gz WVPGXJOLGGFBCR-UHFFFAOYSA-N 0 0 434.642 9.226 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000100668830 520042140 /nfs/dbraw/zinc/04/21/40/520042140.db2.gz DQVBMVAKVVDTEQ-NMWGTECJSA-N 0 0 434.536 5.435 50 30 IKEARN CCCCCCCCc1nnc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)s1 ZINC000097954964 520048966 /nfs/dbraw/zinc/04/89/66/520048966.db2.gz REIZEGYQOBGFKV-UHFFFAOYSA-N 0 0 449.617 5.890 50 30 IKEARN CCCCCCCNc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000060050086 520059050 /nfs/dbraw/zinc/05/90/50/520059050.db2.gz QANXKSWIKOQJGO-UHFFFAOYSA-N 0 0 440.543 6.097 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc21 ZINC000097952679 520061638 /nfs/dbraw/zinc/06/16/38/520061638.db2.gz HPWNPMMWRNIURG-UHFFFAOYSA-N 0 0 430.552 5.846 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002396506 520062625 /nfs/dbraw/zinc/06/26/25/520062625.db2.gz XFWRLQYQTWDKGI-UHFFFAOYSA-N 0 0 446.551 5.351 50 30 IKEARN CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000097940395 520063853 /nfs/dbraw/zinc/06/38/53/520063853.db2.gz YNBRJYJMWHBLJM-JOCHJYFZSA-N 0 0 431.576 7.109 50 30 IKEARN CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OCC)cc2)cc1 ZINC000100084153 520064295 /nfs/dbraw/zinc/06/42/95/520064295.db2.gz JTXYZNZWIYQPGD-LGUFXXKBSA-N 0 0 427.614 5.433 50 30 IKEARN CCCCCCC[C@@]1(C)NC(=O)N(Cc2csc(-c3ccc(OCC)cc3)n2)C1=O ZINC000096021511 520068789 /nfs/dbraw/zinc/06/87/89/520068789.db2.gz LVCBSQAAHWFUDD-HSZRJFAPSA-N 0 0 429.586 5.380 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000002407831 520072515 /nfs/dbraw/zinc/07/25/15/520072515.db2.gz QQNVZOSAGNARSD-UHFFFAOYSA-N 0 0 439.563 5.871 50 30 IKEARN CCCCCCCn1c(CCC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000097953126 520072589 /nfs/dbraw/zinc/07/25/89/520072589.db2.gz SFYCJEZIBZSPNA-UHFFFAOYSA-N 0 0 427.614 5.780 50 30 IKEARN CCCNc1nc(CSc2nc(C(F)(F)F)cc(C)c2C#N)c(C(=O)OCC)s1 ZINC000020607355 520188653 /nfs/dbraw/zinc/18/86/53/520188653.db2.gz LYQNWYIGMJQCIS-UHFFFAOYSA-N 0 0 444.504 5.028 50 30 IKEARN CC/N=C1/S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC ZINC000018255051 520207488 /nfs/dbraw/zinc/20/74/88/520207488.db2.gz VZESTVTXFIMOOI-ROIOHNFESA-N 0 0 438.622 5.218 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000002055329 520228626 /nfs/dbraw/zinc/22/86/26/520228626.db2.gz DJCKEZFRDIUEGL-QHCPKHFHSA-N 0 0 441.568 5.128 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@@H]2c1ccccc1 ZINC000001430164 520254545 /nfs/dbraw/zinc/25/45/45/520254545.db2.gz TWQHCAPSVFNBOC-LJQANCHMSA-N 0 0 444.600 6.052 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 ZINC000009775614 520254758 /nfs/dbraw/zinc/25/47/58/520254758.db2.gz SRKLCQBRBPAJHI-UHFFFAOYSA-N 0 0 449.591 6.777 50 30 IKEARN CC1(C)CC(=O)C([C@H]2c3cc(Cl)cc(Cl)c3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000009975020 520254859 /nfs/dbraw/zinc/25/48/59/520254859.db2.gz ORJOZNAROYTULK-GOSISDBHSA-N 0 0 435.347 6.314 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(Cl)cc1)OCO4 ZINC000009129445 520255760 /nfs/dbraw/zinc/25/57/60/520255760.db2.gz NVUKDOCYWMUCEB-IBGZPJMESA-N 0 0 433.935 5.708 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1Br ZINC000100416833 520258865 /nfs/dbraw/zinc/25/88/65/520258865.db2.gz BBECWGAEABMBCV-LJQANCHMSA-N 0 0 434.333 5.387 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccs1 ZINC000000709595 520260759 /nfs/dbraw/zinc/26/07/59/520260759.db2.gz MNLOQRCRYSFXEA-DEOSSOPVSA-N 0 0 428.557 6.201 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)cc1)OCO3 ZINC000000816101 520260801 /nfs/dbraw/zinc/26/08/01/520260801.db2.gz ZFPBFTKDRPSHOB-HXUWFJFHSA-N 0 0 426.310 5.378 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccco1 ZINC000021722422 520261344 /nfs/dbraw/zinc/26/13/44/520261344.db2.gz YNGBYQYKMGEOMO-DEOSSOPVSA-N 0 0 430.479 5.876 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1ccccc1 ZINC000021722081 520261516 /nfs/dbraw/zinc/26/15/16/520261516.db2.gz YTQOWEQCYKXAEZ-SANMLTNESA-N 0 0 437.543 6.535 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccs1 ZINC000012652085 520262427 /nfs/dbraw/zinc/26/24/27/520262427.db2.gz KJMSMMFOWBHWCR-DEOSSOPVSA-N 0 0 428.557 6.205 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccccc1 ZINC000021722105 520262852 /nfs/dbraw/zinc/26/28/52/520262852.db2.gz CTZAQFNJTNQTIO-KBMIEXCESA-N 0 0 445.563 5.192 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@H]2c1ccco1 ZINC000020503215 520264084 /nfs/dbraw/zinc/26/40/84/520264084.db2.gz JMKHRWRTKOJKCW-SANMLTNESA-N 0 0 441.531 5.535 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000012589214 520265782 /nfs/dbraw/zinc/26/57/82/520265782.db2.gz VEYXKXNYKUYFHP-FQEVSTJZSA-N 0 0 439.346 5.910 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@H]2c1ccccc1 ZINC000009281384 520265903 /nfs/dbraw/zinc/26/59/03/520265903.db2.gz LSFLZNUJDFQEQS-NDEPHWFRSA-N 0 0 448.570 6.380 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Br)s1)Nc1ccc3ccccc3c12 ZINC000000986070 520269472 /nfs/dbraw/zinc/26/94/72/520269472.db2.gz FFLJNLXJFDIMCN-JOCHJYFZSA-N 0 0 438.390 6.973 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Cl)cc2c1OCOC2 ZINC000016577961 520269647 /nfs/dbraw/zinc/26/96/47/520269647.db2.gz CKOVCUBTEMOSJB-RUZDIDTESA-N 0 0 445.946 6.669 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1Br)Nc1ccc3ccccc3c12 ZINC000002071143 520270073 /nfs/dbraw/zinc/27/00/73/520270073.db2.gz MHUMJMPOTSSEDX-XMMPIXPASA-N 0 0 432.361 6.912 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@@H]2c1ccccc1 ZINC000002211327 520270113 /nfs/dbraw/zinc/27/01/13/520270113.db2.gz RHPPHEKNEIPSSG-HXUWFJFHSA-N 0 0 440.478 5.098 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2nnc(N)s2)cc1 ZINC000001066210 520270245 /nfs/dbraw/zinc/27/02/45/520270245.db2.gz VYTZAJIKTXAKOM-UHFFFAOYSA-N 0 0 449.576 5.188 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)cc1 ZINC000002030037 520272416 /nfs/dbraw/zinc/27/24/16/520272416.db2.gz QAWOXEBCEZIUIC-DEOSSOPVSA-N 0 0 432.361 6.912 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850339 520274373 /nfs/dbraw/zinc/27/43/73/520274373.db2.gz KRNFPVXBBMHWIP-IBGZPJMESA-N 0 0 441.557 5.127 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850876 520274402 /nfs/dbraw/zinc/27/44/02/520274402.db2.gz HCTIDTCDOZXMNO-IBGZPJMESA-N 0 0 441.557 5.127 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1=O ZINC000008398030 520277604 /nfs/dbraw/zinc/27/76/04/520277604.db2.gz LSXHQQBCFABOJC-BJMVGYQFSA-N 0 0 426.232 5.156 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1=O ZINC000008398053 520278486 /nfs/dbraw/zinc/27/84/86/520278486.db2.gz MRRCQZJWNZPTSZ-XBXARRHUSA-N 0 0 427.125 5.444 50 30 IKEARN CCCOc1c(Br)cc(C=NNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000032705942 520289706 /nfs/dbraw/zinc/28/97/06/520289706.db2.gz ZSEYVRAGUUANBX-JJFYIABZSA-N 0 0 446.172 6.389 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102484833 520317704 /nfs/dbraw/zinc/31/77/04/520317704.db2.gz YNCMWBGODJXPGF-HOGKFDNTSA-N 0 0 448.906 5.150 50 30 IKEARN CC1(C)CCCN(c2nc(N3CCCCC3)c(C#N)c3c2CN(Cc2ccccc2)CC3)C1 ZINC000020790018 520328812 /nfs/dbraw/zinc/32/88/12/520328812.db2.gz GSKMJHBCJUZZCO-UHFFFAOYSA-N 0 0 443.639 5.128 50 30 IKEARN CCNc1nc(CSc2nc(C(F)F)cc(C3CC3)c2C#N)c(C(=O)OCC)s1 ZINC000020607463 520357586 /nfs/dbraw/zinc/35/75/86/520357586.db2.gz UJMDBOZSGMZKCL-UHFFFAOYSA-N 0 0 438.525 5.126 50 30 IKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009472364 520432088 /nfs/dbraw/zinc/43/20/88/520432088.db2.gz NAAMDRMAMWKSHD-QHCPKHFHSA-N 0 0 449.478 5.294 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000016293759 520485926 /nfs/dbraw/zinc/48/59/26/520485926.db2.gz NYOLGTHMWYXCMV-AVRWGWEMSA-N 0 0 449.522 5.149 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000019314431 520496044 /nfs/dbraw/zinc/49/60/44/520496044.db2.gz SLSZWDXRFHRQPW-VWLOTQADSA-N 0 0 445.559 5.433 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(O)c(OC)c2)C1=O ZINC000003002748 520536711 /nfs/dbraw/zinc/53/67/11/520536711.db2.gz FZLDJJMDDDSASE-KGENOOAVSA-N 0 0 447.512 5.098 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(Cl)cc2)C1=O ZINC000006378653 520537695 /nfs/dbraw/zinc/53/76/95/520537695.db2.gz JFSWCVREEATPLY-ZHZULCJRSA-N 0 0 435.932 6.037 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1cccc(C)c1 ZINC000016185221 520554461 /nfs/dbraw/zinc/55/44/61/520554461.db2.gz PWSNUJZHQPHOLE-YJOHERITSA-N 0 0 444.025 6.423 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000019643906 520566731 /nfs/dbraw/zinc/56/67/31/520566731.db2.gz ZZWSNYQDLLAXTP-UHFFFAOYSA-N 0 0 445.588 5.571 50 30 IKEARN CCN(CC)C(=S)SCC(=NNc1ccc(Br)cc1)c1ccccc1 ZINC000018192322 520566829 /nfs/dbraw/zinc/56/68/29/520566829.db2.gz UHACJDLKNKPOLL-PYCFMQQDSA-N 0 0 436.444 5.625 50 30 IKEARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 ZINC000100117585 520572309 /nfs/dbraw/zinc/57/23/09/520572309.db2.gz BNXHYJGYFILIDX-CMCXOAPSSA-N 0 0 432.926 6.435 50 30 IKEARN CCOc1c(Br)cc(/C=C(\C(=O)c2ccccc2C)c2ncc[nH]2)cc1OC ZINC000221931967 520588243 /nfs/dbraw/zinc/58/82/43/520588243.db2.gz KIUPOFCAJUHYLD-GZTJUZNOSA-N 0 0 441.325 5.311 50 30 IKEARN CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000013568632 520610510 /nfs/dbraw/zinc/61/05/10/520610510.db2.gz NHFCPFSRZFVRAF-NQIIRXRSSA-N 0 0 447.575 5.396 50 30 IKEARN CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000013568631 520612263 /nfs/dbraw/zinc/61/22/63/520612263.db2.gz NHFCPFSRZFVRAF-GHTZIAJQSA-N 0 0 447.575 5.396 50 30 IKEARN CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)N(C)C ZINC000013055986 520618724 /nfs/dbraw/zinc/61/87/24/520618724.db2.gz LRKMWQUIXUIRLR-XYYIANASSA-N 0 0 436.335 5.144 50 30 IKEARN CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)N(C)C ZINC000016044216 520618989 /nfs/dbraw/zinc/61/89/89/520618989.db2.gz YTLTURVJDBWTBO-MHWRWJLKSA-N 0 0 429.516 5.115 50 30 IKEARN CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000033954919 520646888 /nfs/dbraw/zinc/64/68/88/520646888.db2.gz ZXQYGBMAQZUVMI-HQMWCCLBSA-N 0 0 449.856 6.544 50 30 in-man IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002055495 520701246 /nfs/dbraw/zinc/70/12/46/520701246.db2.gz MIGNWMISBXVCAV-FQEVSTJZSA-N 0 0 447.959 5.002 50 30 IKEARN CCCCOC(=O)c1ccc(-c2ccc(CN=Nc3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000020615067 520719965 /nfs/dbraw/zinc/71/99/65/520719965.db2.gz ODFACLBOGCJEKG-BUVRLJJBSA-N 0 0 437.452 5.266 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OC ZINC000006089737 520778994 /nfs/dbraw/zinc/77/89/94/520778994.db2.gz UYDAAXFSHMLTJY-QLXKLKPCSA-N 0 0 446.572 6.135 50 30 IKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000709667 520784579 /nfs/dbraw/zinc/78/45/79/520784579.db2.gz PNBMOJTYKBKKSI-XHCCPWGMSA-N 0 0 426.516 5.770 50 30 IKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000002190006 520785042 /nfs/dbraw/zinc/78/50/42/520785042.db2.gz YICPRIVRYRCVKF-RUZDIDTESA-N 0 0 447.962 6.907 50 30 IKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000028052479 520787499 /nfs/dbraw/zinc/78/74/99/520787499.db2.gz KZEZWLRCMNIYKK-XDHUDOTRSA-N 0 0 446.503 5.054 50 30 IKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC ZINC000033321070 520787869 /nfs/dbraw/zinc/78/78/69/520787869.db2.gz HNDMICIJUBJPRI-UUOWRZLLSA-N 0 0 430.504 5.349 50 30 IKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000028052475 520787951 /nfs/dbraw/zinc/78/79/51/520787951.db2.gz KZEZWLRCMNIYKK-OSPHWJPCSA-N 0 0 446.503 5.054 50 30 IKEARN CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2 ZINC000252627206 520789840 /nfs/dbraw/zinc/78/98/40/520789840.db2.gz ROUYAPDUUUROKS-FAOJBXBBSA-N 0 0 448.500 5.211 50 30 IKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000009971262 520801744 /nfs/dbraw/zinc/80/17/44/520801744.db2.gz RXJSTNSLRSRQDM-KAYFCYQFSA-N 0 0 440.543 6.631 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000027547491 520807560 /nfs/dbraw/zinc/80/75/60/520807560.db2.gz IIUOTKYMYVTEIO-FQEVSTJZSA-N 0 0 432.467 5.374 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000000689702 520811293 /nfs/dbraw/zinc/81/12/93/520811293.db2.gz WQIDKWJKTUGALS-OAQYLSRUSA-N 0 0 445.321 5.739 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001427813 520811370 /nfs/dbraw/zinc/81/13/70/520811370.db2.gz IROPHWKZMNPUBU-UUOWRZLLSA-N 0 0 441.556 5.143 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000019536141 520817920 /nfs/dbraw/zinc/81/79/20/520817920.db2.gz YTSBKNUBBRGSOM-OAQYLSRUSA-N 0 0 433.470 5.549 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1 ZINC000001213129 520818592 /nfs/dbraw/zinc/81/85/92/520818592.db2.gz IPOXFBRCQVZDRD-OAQYLSRUSA-N 0 0 444.915 5.092 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000019630407 520818967 /nfs/dbraw/zinc/81/89/67/520818967.db2.gz VSKLXCJSVVBUIF-WNSKOXEYSA-N 0 0 439.602 5.657 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002462437 520819142 /nfs/dbraw/zinc/81/91/42/520819142.db2.gz XEXSXBVLADCZJZ-RXFWQSSRSA-N 0 0 443.543 5.240 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019314564 520820306 /nfs/dbraw/zinc/82/03/06/520820306.db2.gz SWWVFYHSSOWZMF-QFIPXVFZSA-N 0 0 438.524 5.075 50 30 in-vitro IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001184784 520821711 /nfs/dbraw/zinc/82/17/11/520821711.db2.gz XXKWQIVCAMYFML-HXOBKFHXSA-N 0 0 439.552 5.448 50 30 IKEARN CCOc1ccc(-n2c(C)cc([C@H]3c4c(C)[nH]nc4NC4=C3C(=O)CC(C)(C)C4)c2C)cc1 ZINC000012583539 520832697 /nfs/dbraw/zinc/83/26/97/520832697.db2.gz XHAYHRUOCUGOEQ-DEOSSOPVSA-N 0 0 444.579 5.725 50 30 IKEARN CCCCOc1cc(Br)c(C=C2C(=O)c3ccccc3C2=O)cc1OCC ZINC000002086518 520849522 /nfs/dbraw/zinc/84/95/22/520849522.db2.gz KEJBJWZFBIMLKM-UHFFFAOYSA-N 0 0 429.310 5.489 50 30 IKEARN CCCCOc1ccc(C(=O)O/N=C2\CCc3c2c(OC)ccc3Br)cc1 ZINC000012469651 520874163 /nfs/dbraw/zinc/87/41/63/520874163.db2.gz VPRIGUORBWNZAO-PTGBLXJZSA-N 0 0 432.314 5.144 50 30 IKEARN CCN(CC)c1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)c(OC)c1 ZINC000015016385 520879294 /nfs/dbraw/zinc/87/92/94/520879294.db2.gz ICKZNRJEPMIZRU-ODLFYWEKSA-N 0 0 449.498 5.452 50 30 IKEARN CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)cc1 ZINC000020608381 520881736 /nfs/dbraw/zinc/88/17/36/520881736.db2.gz ZSKKKOYTDVEDHU-FSJBWODESA-N 0 0 449.411 5.696 50 30 IKEARN CCN(CC)c1ccc(/C=N/c2ccccc2/N=C\c2ccc(N(CC)CC)cc2)cc1 ZINC000011565510 520883112 /nfs/dbraw/zinc/88/31/12/520883112.db2.gz STLPZBKWRGUEFT-DWVPNOFWSA-N 0 0 426.608 6.880 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(CC)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984292 520883784 /nfs/dbraw/zinc/88/37/84/520883784.db2.gz UBRVAYNJTGFAFL-UHFFFAOYSA-N 0 0 433.529 5.297 50 30 IKEARN CCN(CC)c1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794641 520923420 /nfs/dbraw/zinc/92/34/20/520923420.db2.gz SLOZAVCBNVVGHZ-VWLOTQADSA-N 0 0 434.580 5.751 50 30 IKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000008997145 520924404 /nfs/dbraw/zinc/92/44/04/520924404.db2.gz DNXSRZULBGSFSP-KPURRNSFSA-N 0 0 437.587 6.512 50 30 IKEARN CCOc1ccc(NN=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000013648405 521031797 /nfs/dbraw/zinc/03/17/97/521031797.db2.gz RHLZBPLWUHLDMD-ULJHMMPZSA-N 0 0 427.327 5.311 50 30 IKEARN CCOc1ccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943186 521032939 /nfs/dbraw/zinc/03/29/39/521032939.db2.gz ZIUZGDDMFDERIF-UHFFFAOYSA-N 0 0 426.520 5.007 50 30 IKEARN CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)C[C@@H](C)CC3)cc1 ZINC000009907658 521112934 /nfs/dbraw/zinc/11/29/34/521112934.db2.gz CYZPROLUPJYXBY-DCMOEJRUSA-N 0 0 448.588 6.283 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000013582992 521117720 /nfs/dbraw/zinc/11/77/20/521117720.db2.gz PQVZICXKNNRIPL-MLKPGFSBSA-N 0 0 429.589 6.173 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000051366983 521117810 /nfs/dbraw/zinc/11/78/10/521117810.db2.gz LEHKLFXCYIZPJE-IOYLVGNBSA-N 0 0 443.616 6.481 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000018244437 521166419 /nfs/dbraw/zinc/16/64/19/521166419.db2.gz PAFKFZIOUCPJCQ-VWLOTQADSA-N 0 0 434.536 5.257 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012648746 521168608 /nfs/dbraw/zinc/16/86/08/521168608.db2.gz YLNFDTSZCDVHIG-QLXKLKPCSA-N 0 0 446.934 6.244 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000009067564 521168655 /nfs/dbraw/zinc/16/86/55/521168655.db2.gz GGXZFQFEPIKPTM-NGOKVRLYSA-N 0 0 440.518 6.136 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1 ZINC000009934353 521168968 /nfs/dbraw/zinc/16/89/68/521168968.db2.gz RNCCSISZHQBOIK-MYUZEXMDSA-N 0 0 442.515 5.599 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000000669401 521169079 /nfs/dbraw/zinc/16/90/79/521169079.db2.gz YKXVKWNYSYPDTF-HSZRJFAPSA-N 0 0 443.374 6.546 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012648749 521169125 /nfs/dbraw/zinc/16/91/25/521169125.db2.gz YLNFDTSZCDVHIG-MRDQGFSESA-N 0 0 446.934 6.244 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006196432 521236702 /nfs/dbraw/zinc/23/67/02/521236702.db2.gz SXGKIBBXSOFHPJ-RUZDIDTESA-N 0 0 444.575 5.636 50 30 IKEARN CCOc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794509 521248599 /nfs/dbraw/zinc/24/85/99/521248599.db2.gz HDUMIDJOVSEWSL-NRFANRHFSA-N 0 0 437.536 5.312 50 30 IKEARN CCOc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000013575580 521248808 /nfs/dbraw/zinc/24/88/08/521248808.db2.gz INMBJBTYRUWKEK-OYUWMTPXSA-N 0 0 445.522 5.370 50 30 IKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000013617278 521253105 /nfs/dbraw/zinc/25/31/05/521253105.db2.gz LEHKLFXCYIZPJE-AEOQXANVSA-N 0 0 443.616 6.481 50 30 IKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000013568495 521268899 /nfs/dbraw/zinc/26/88/99/521268899.db2.gz APWHKHLFUGVKQB-NHCUHLMSSA-N 0 0 433.548 5.222 50 30 IKEARN CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)c1O ZINC000027527951 521316273 /nfs/dbraw/zinc/31/62/73/521316273.db2.gz JOJIOOVINFSSSJ-TWILBZOKSA-N 0 0 438.597 5.783 50 30 IKEARN CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1O ZINC000072334091 521317387 /nfs/dbraw/zinc/31/73/87/521317387.db2.gz HDBPMOSKKYGPNZ-CVKSISIWSA-N 0 0 430.460 5.549 50 30 IKEARN CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)c1O ZINC000038187791 521317541 /nfs/dbraw/zinc/31/75/41/521317541.db2.gz JOJIOOVINFSSSJ-BYEGDDEQSA-N 0 0 438.597 5.783 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1 ZINC000012561336 521364106 /nfs/dbraw/zinc/36/41/06/521364106.db2.gz ZMUWKRLESJFUPP-OZHCYYCFSA-N 0 0 447.435 6.985 50 30 IKEARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100772859 521371259 /nfs/dbraw/zinc/37/12/59/521371259.db2.gz NCBREVIICSXUBZ-BHGWPJFGSA-N 0 0 431.941 5.522 50 30 IKEARN CCCc1cc(SCC(=O)Nc2ccc(OCC)cc2)n2c3ccccc3nc2c1C#N ZINC000012689803 521385954 /nfs/dbraw/zinc/38/59/54/521385954.db2.gz KQKNHMHUECPJKY-UHFFFAOYSA-N 0 0 444.560 5.441 50 30 IKEARN CCOC(=O)c1c(C)oc2c1C(=CNCCc1c[nH]c3ccccc13)C(=O)c1ccccc1-2 ZINC000100289902 521398911 /nfs/dbraw/zinc/39/89/11/521398911.db2.gz LOORQDQPUJQCAW-QNGOZBTKSA-N 0 0 440.499 5.283 50 30 IKEARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000000751977 521410335 /nfs/dbraw/zinc/41/03/35/521410335.db2.gz CBZXKVRFVKYQGY-SANMLTNESA-N 0 0 444.556 5.056 50 30 IKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)c1 ZINC000001434810 521417045 /nfs/dbraw/zinc/41/70/45/521417045.db2.gz UEJVMKHATLIVQX-MMTVBGGISA-N 0 0 440.543 6.073 50 30 IKEARN CCOC(=O)c1ccc(-c2ccc(CN=Nc3oc(-c4ccc(C)cc4)nc3C#N)o2)cc1 ZINC000019927864 521459831 /nfs/dbraw/zinc/45/98/31/521459831.db2.gz KHWJAISNJZWVRK-JFLMPSFJSA-N 0 0 440.459 5.404 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(Cl)c1 ZINC000013286476 521513048 /nfs/dbraw/zinc/51/30/48/521513048.db2.gz KIHNHOGJELRPDK-MGXYOJEMSA-N 0 0 431.970 5.343 50 30 IKEARN CCOC(=O)c1ccccc1-c1csc(NC=NOCc2c(F)cccc2Cl)n1 ZINC000013394566 521548170 /nfs/dbraw/zinc/54/81/70/521548170.db2.gz XFIWPJDXLVKCKO-UHFFFAOYSA-N 0 0 433.892 5.351 50 30 IKEARN CCCn1c(=O)c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc21 ZINC000069351892 521616107 /nfs/dbraw/zinc/61/61/07/521616107.db2.gz LXGVUNIFUCHRLA-DTQAZKPQSA-N 0 0 427.931 6.628 50 30 IKEARN CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)c(C)c2)c2c(C)oc(C)c21 ZINC000008818389 521638179 /nfs/dbraw/zinc/63/81/79/521638179.db2.gz ZDRSHBNCHHWILB-MRCUWXFGSA-N 0 0 443.543 6.323 50 30 IKEARN CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000008931645 521638202 /nfs/dbraw/zinc/63/82/02/521638202.db2.gz CXDGSFVZSHXCKH-HNENSFHCSA-N 0 0 445.515 5.715 50 30 IKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 ZINC000020648846 521648156 /nfs/dbraw/zinc/64/81/56/521648156.db2.gz NGWGGYWOKMYRKF-NHDPSOOVSA-N 0 0 443.927 5.150 50 30 IKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccc(OC)cc13)O2 ZINC000020647124 521649186 /nfs/dbraw/zinc/64/91/86/521649186.db2.gz CWPWWNGWKLOONA-ZMOGYAJESA-N 0 0 434.536 5.131 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1 ZINC000032972921 521650046 /nfs/dbraw/zinc/65/00/46/521650046.db2.gz KMQANNGWFWPNJO-UHFFFAOYSA-N 0 0 445.611 5.740 50 30 IKEARN CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000036611399 521792690 /nfs/dbraw/zinc/79/26/90/521792690.db2.gz ULGHBRWYOHZYHP-LIMNOBDPSA-N 0 0 448.829 5.256 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000036611342 521793998 /nfs/dbraw/zinc/79/39/98/521793998.db2.gz LDMKLQKWAINFKF-GZIVZEMBSA-N 0 0 430.839 5.174 50 30 IKEARN CCc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2cccc(C)c2)S1(=O)=O ZINC000020132860 521851293 /nfs/dbraw/zinc/85/12/93/521851293.db2.gz VZIHHWYSXBNSPI-LFVJCYFKSA-N 0 0 432.545 5.044 50 30 IKEARN COc1cc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCC#N ZINC000050820147 521922151 /nfs/dbraw/zinc/92/21/51/521922151.db2.gz RSXUDLPJLIXKTL-VKAVYKQESA-N 0 0 438.512 5.672 50 30 IKEARN COC(=O)c1ccc(/N=C2\S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 ZINC000002240417 521938616 /nfs/dbraw/zinc/93/86/16/521938616.db2.gz WEVCKVMWAVHJNI-XHFTXJRRSA-N 0 0 438.549 5.147 50 30 IKEARN COC(=O)c1ccc(/N=C2/S/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 ZINC000013689500 521940004 /nfs/dbraw/zinc/94/00/04/521940004.db2.gz WEVCKVMWAVHJNI-CQJVDGAYSA-N 0 0 438.549 5.147 50 30 IKEARN COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000012659943 521940479 /nfs/dbraw/zinc/94/04/79/521940479.db2.gz YWQZRLNMGZBQLP-VZUCSPMQSA-N 0 0 428.406 5.895 50 30 IKEARN COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc(Br)c1O ZINC000012466158 521952441 /nfs/dbraw/zinc/95/24/41/521952441.db2.gz LFYPMABEPJLQPM-OPZVMXLVSA-N 0 0 447.354 5.014 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C ZINC000012285243 521968951 /nfs/dbraw/zinc/96/89/51/521968951.db2.gz PQVSWPBQFGSBKC-ZEHKLFRWSA-N 0 0 442.584 6.159 50 30 IKEARN COc1cc(/C=N/NC(=S)Nc2ccc(C)cc2)ccc1OCCOc1ccc(C)cc1 ZINC000008984257 521989614 /nfs/dbraw/zinc/98/96/14/521989614.db2.gz VGSZJSPEELZQRB-YZSQISJMSA-N 0 0 449.576 5.090 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)ccc1O ZINC000013756596 521993521 /nfs/dbraw/zinc/99/35/21/521993521.db2.gz FHTNFJOZLIWKDA-BRJLIKDPSA-N 0 0 439.302 5.764 50 30 IKEARN COc1cc(C(=O)/C(=C/c2ccc(C)s2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000033656533 522050471 /nfs/dbraw/zinc/05/04/71/522050471.db2.gz MGSXNUPALWYYAC-LGMDPLHJSA-N 0 0 434.517 5.382 50 30 IKEARN COc1cc(C(=O)/C(=C\c2ccc(C)s2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000009444167 522050658 /nfs/dbraw/zinc/05/06/58/522050658.db2.gz MGSXNUPALWYYAC-GHRIWEEISA-N 0 0 434.517 5.382 50 30 IKEARN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)C=CNc3ccccc3Cl)c2)n1 ZINC000091695714 522119222 /nfs/dbraw/zinc/11/92/22/522119222.db2.gz MUCWADBJUOVDEN-ZHACJKMWSA-N 0 0 445.872 6.295 50 30 IKEARN CN(C)c1ccc(/C=C(\C(=O)c2ccc(Br)cc2)c2nc3ccccc3o2)cc1 ZINC000027026176 522127072 /nfs/dbraw/zinc/12/70/72/522127072.db2.gz XXEZBWYDAKBZSN-HMMYKYKNSA-N 0 0 447.332 6.080 50 30 IKEARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052307 522168576 /nfs/dbraw/zinc/16/85/76/522168576.db2.gz DMOJYYSNYXAHLQ-VGOFRKELSA-N 0 0 448.906 5.381 50 30 IKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 ZINC000000796178 522307491 /nfs/dbraw/zinc/30/74/91/522307491.db2.gz VXFZTYCXOSXQLQ-UHFFFAOYSA-N 0 0 447.506 5.114 50 30 IKEARN CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc(Br)s1 ZINC000013019446 522405311 /nfs/dbraw/zinc/40/53/11/522405311.db2.gz SXEDIHCULOPGTI-UHFFFAOYSA-N 0 0 440.363 5.493 50 30 IKEARN CO/C(=N/[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 ZINC000002686540 522735319 /nfs/dbraw/zinc/73/53/19/522735319.db2.gz NTSSBJCZIZYUSP-LGVXEURYSA-N 0 0 430.788 5.071 50 30 IKEARN CO/N=C/C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008733497 522737068 /nfs/dbraw/zinc/73/70/68/522737068.db2.gz VZLNFXLTCBIURV-GZIVZEMBSA-N 0 0 449.121 5.126 50 30 IKEARN COC(=O)/C=C1\S/C(=N\c2ccc(C)c(Cl)c2)N(c2ccc(C)c(Cl)c2)C1=O ZINC000002161566 522746297 /nfs/dbraw/zinc/74/62/97/522746297.db2.gz BSOGMLWCQDXFAZ-PLISCHTNSA-N 0 0 435.332 5.435 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C(/C(=O)c1ccc(C)cc1)c1nc2ccccc2o1 ZINC000012756038 522817024 /nfs/dbraw/zinc/81/70/24/522817024.db2.gz ATVSEIKSHPXOSM-UYRXBGFRSA-N 0 0 429.472 5.586 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)c1 ZINC000035847704 522839104 /nfs/dbraw/zinc/83/91/04/522839104.db2.gz VFZWSBDYLTZCEK-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2C2CCCCC2)c1 ZINC000035847575 522839508 /nfs/dbraw/zinc/83/95/08/522839508.db2.gz WAOUIWKMXWTKQB-UHFFFAOYSA-N 0 0 434.565 5.631 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000627433 522878729 /nfs/dbraw/zinc/87/87/29/522878729.db2.gz DCHYFSAAGOEXQS-XMMPIXPASA-N 0 0 431.532 5.043 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1 ZINC000001434670 522881406 /nfs/dbraw/zinc/88/14/06/522881406.db2.gz QGBBCDVTQWDVTP-NYHFZMIOSA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000001127606 522883770 /nfs/dbraw/zinc/88/37/70/522883770.db2.gz ALEVSAGTMVIFJA-RNODOKPDSA-N 0 0 447.478 5.302 50 30 IKEARN COC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(OC)cc2OC)C1=O ZINC000009721134 522894949 /nfs/dbraw/zinc/89/49/49/522894949.db2.gz NVIOQNKVSHRVGS-BKUYFWCQSA-N 0 0 447.512 5.011 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)ccc1OC(C)C ZINC000013568612 522922180 /nfs/dbraw/zinc/92/21/80/522922180.db2.gz LEZOUGGFQGMRHJ-HKUYNNGSSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC ZINC000009972237 522931382 /nfs/dbraw/zinc/93/13/82/522931382.db2.gz VOONULXUNBRPOD-BZQUYTCOSA-N 0 0 446.503 5.285 50 30 IKEARN COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001035427 522934935 /nfs/dbraw/zinc/93/49/35/522934935.db2.gz AGPRFILCGZLNLP-HSZRJFAPSA-N 0 0 429.520 5.096 50 30 IKEARN COc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000000717711 522936336 /nfs/dbraw/zinc/93/63/36/522936336.db2.gz DQROHLGPGSBAHS-HSZRJFAPSA-N 0 0 447.962 6.711 50 30 IKEARN COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794451 522992823 /nfs/dbraw/zinc/99/28/23/522992823.db2.gz UBSHQMLVNOBBER-FQEVSTJZSA-N 0 0 439.577 5.635 50 30 IKEARN COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)[nH]c3ccc(Cl)cc31)=C2 ZINC000062001650 523022394 /nfs/dbraw/zinc/02/23/94/523022394.db2.gz RQZXAPZULVDSBX-UHFFFAOYSA-N 0 0 438.955 5.637 50 30 biogenic IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@H]3C)n2)cc1 ZINC000012385124 523104156 /nfs/dbraw/zinc/10/41/56/523104156.db2.gz RSKKVRFQJUXVDX-CQSZACIVSA-N 0 0 449.498 5.141 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]21C ZINC000257358970 523109757 /nfs/dbraw/zinc/10/97/57/523109757.db2.gz XRLBQELEYBVDHJ-JIQQANKKSA-N 0 0 444.612 5.265 50 30 IKEARN COc1ccc(-c2ccc(C=NNc3c(Cl)cc(Cl)cc3C(F)(F)F)s2)cc1 ZINC000012369141 523128080 /nfs/dbraw/zinc/12/80/80/523128080.db2.gz MBPACWIBIDPCIR-KIBLKLHPSA-N 0 0 445.293 7.195 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1OC ZINC000012574521 523240124 /nfs/dbraw/zinc/24/01/24/523240124.db2.gz PGWHMFIDDNVGDA-GXDHUFHOSA-N 0 0 428.463 5.592 50 30 IKEARN COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)cc1OC ZINC000035847500 523264393 /nfs/dbraw/zinc/26/43/93/523264393.db2.gz UTBGUSKEZDZPDM-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN CCn1c2ccccc2c2cc(C=NN3C(=S)N=NC3COc3ccccc3)ccc21 ZINC000002345697 523274613 /nfs/dbraw/zinc/27/46/13/523274613.db2.gz FQKLSOJVGOPLTE-MFKUBSTISA-N 0 0 427.533 5.156 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c2ccccc21 ZINC000020648434 523304482 /nfs/dbraw/zinc/30/44/82/523304482.db2.gz KNZBUASZAPIDPL-LGJNPRDNSA-N 0 0 446.591 6.097 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2ccccc21 ZINC000013681157 523305218 /nfs/dbraw/zinc/30/52/18/523305218.db2.gz NZJVEMLDYNICJQ-HZTDBVLZSA-N 0 0 430.548 5.461 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccccc4C)ccc3C2=O)c2cc(OC)ccc21 ZINC000009422259 523308219 /nfs/dbraw/zinc/30/82/19/523308219.db2.gz RKYIULIMEAVBHM-UVHMKAGCSA-N 0 0 439.511 6.173 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(OC)cc4)ccc3C2=O)c2ccccc21 ZINC000009423429 523308449 /nfs/dbraw/zinc/30/84/49/523308449.db2.gz JQHZPJIMRMCLBJ-AFUMVMLFSA-N 0 0 439.467 5.505 50 30 IKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccccc3)cc2-c2cccc(OC)c2)cc1 ZINC000035843401 523312811 /nfs/dbraw/zinc/31/28/11/523312811.db2.gz HMGIFGOQLBPHKC-BRPDVVIDSA-N 0 0 440.543 6.411 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000012951725 523357556 /nfs/dbraw/zinc/35/75/56/523357556.db2.gz UKGQURNMPWDUHZ-OERFTBBMSA-N 0 0 435.907 5.802 50 30 IKEARN COc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC ZINC000008927119 523398599 /nfs/dbraw/zinc/39/85/99/523398599.db2.gz GCYFXVGPAAVVBB-UKTHLTGXSA-N 0 0 443.930 6.777 50 30 IKEARN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1OC ZINC000013512891 523398857 /nfs/dbraw/zinc/39/88/57/523398857.db2.gz WLDYFJUQIJMPEP-XYOKQWHBSA-N 0 0 445.902 5.762 50 30 IKEARN COc1ccc(/C=C/c2cc(-c3cccc(C)c3)n3c4ccccc4nc3c2C#N)cc1O ZINC000013146020 523405396 /nfs/dbraw/zinc/40/53/96/523405396.db2.gz ADWRCEXNXIKKCJ-ZRDIBKRKSA-N 0 0 431.495 6.219 50 30 IKEARN CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O ZINC000013617361 523422956 /nfs/dbraw/zinc/42/29/56/523422956.db2.gz ZETWLCDQKVYEKX-VDFJPTLYSA-N 0 0 447.560 5.101 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c(OC)c1 ZINC000020648127 523423293 /nfs/dbraw/zinc/42/32/93/523423293.db2.gz YNBICIBDNNADEA-MYKKPKGFSA-N 0 0 439.552 5.140 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1 ZINC000012374184 523425012 /nfs/dbraw/zinc/42/50/12/523425012.db2.gz UGHXLPDKTRWCNA-QFEZKATASA-N 0 0 444.483 5.456 50 30 biogenic IKEARN COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O ZINC000002073764 523426402 /nfs/dbraw/zinc/42/64/02/523426402.db2.gz CMKSGDKULPPFME-JWMLTMDESA-N 0 0 430.529 5.826 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000008396133 523426766 /nfs/dbraw/zinc/42/67/66/523426766.db2.gz RVGPTYYAVVIMHX-PNTLFUMMSA-N 0 0 444.556 6.129 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC ZINC000012730131 523427648 /nfs/dbraw/zinc/42/76/48/523427648.db2.gz LVNLWCCVSQOFEF-LMTJQJACSA-N 0 0 444.556 5.377 50 30 IKEARN COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1 ZINC000009547744 523452282 /nfs/dbraw/zinc/45/22/82/523452282.db2.gz QKFNZCMEYWBWMB-MZJWZYIUSA-N 0 0 446.555 5.150 50 30 IKEARN COc1ccc(/N=C2\S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000100111982 523469770 /nfs/dbraw/zinc/46/97/70/523469770.db2.gz CVLCOTMAMDSXPO-SHSCQTOKSA-N 0 0 434.492 5.652 50 30 IKEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000012952450 523488999 /nfs/dbraw/zinc/48/89/99/523488999.db2.gz XRHGQZQIQFRREW-UXBLZVDNSA-N 0 0 443.318 5.635 50 30 IKEARN COc1ccc(Br)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000020258400 523491308 /nfs/dbraw/zinc/49/13/08/523491308.db2.gz QGQQLRXVVRUWGI-SSDVNMTOSA-N 0 0 449.757 6.176 50 30 IKEARN COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1OC ZINC000012804275 523542889 /nfs/dbraw/zinc/54/28/89/523542889.db2.gz JXMJTDSRDIOZLS-ZHACJKMWSA-N 0 0 436.533 5.358 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(F)cc2)Nc2ccc(C(C)C)cc2)c1C ZINC000032973287 523635791 /nfs/dbraw/zinc/63/57/91/523635791.db2.gz OMANEKXMTXNAGL-UHFFFAOYSA-N 0 0 449.574 5.223 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)c1C ZINC000032971661 523638012 /nfs/dbraw/zinc/63/80/12/523638012.db2.gz BOYKVHDJHNIOIX-UHFFFAOYSA-N 0 0 449.574 5.355 50 30 IKEARN CN(c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12)C1CCCCC1 ZINC000008809746 523641551 /nfs/dbraw/zinc/64/15/51/523641551.db2.gz UGFITLSNCZNJIC-WPWMEQJKSA-N 0 0 427.504 7.014 50 30 IKEARN CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000015978374 523651562 /nfs/dbraw/zinc/65/15/62/523651562.db2.gz MJULQQBEXPUNPJ-CPNJWEJPSA-N 0 0 434.495 6.926 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl ZINC000013482300 523669454 /nfs/dbraw/zinc/66/94/54/523669454.db2.gz SRSOJXJDJDRYLG-CGQHOMIXSA-N 0 0 431.319 5.224 50 30 IKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)cc1 ZINC000021722429 523678553 /nfs/dbraw/zinc/67/85/53/523678553.db2.gz NCBGUCIAQKSRMA-RUZDIDTESA-N 0 0 442.515 5.745 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2cccc(C)c2[nH]c1=O ZINC000009292715 523708337 /nfs/dbraw/zinc/70/83/37/523708337.db2.gz AGCQTMJQYRCWGT-CCVNUDIWSA-N 0 0 434.503 5.238 50 30 IKEARN CN(/N=C/c1ccc(C(C)(C)C)cc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl ZINC000020615612 523769449 /nfs/dbraw/zinc/76/94/49/523769449.db2.gz ULBZBUIKJYBSFT-RPPGKUMJSA-N 0 0 447.341 5.446 50 30 IKEARN COc1ccc(C(=O)[C@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000019816560 523780219 /nfs/dbraw/zinc/78/02/19/523780219.db2.gz YMCXLLPIHSKVQS-ARNLJNQMSA-N 0 0 437.524 5.167 50 30 IKEARN COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc32)S/C1=N\c1ccccc1 ZINC000008400414 523785297 /nfs/dbraw/zinc/78/52/97/523785297.db2.gz LPEWYPMWXQNSGF-JTUXUYRKSA-N 0 0 448.544 5.107 50 30 IKEARN COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 ZINC000096803920 523785460 /nfs/dbraw/zinc/78/54/60/523785460.db2.gz APARRRRJBVTTQW-SHSCQTOKSA-N 0 0 429.501 5.069 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002081682 523876682 /nfs/dbraw/zinc/87/66/82/523876682.db2.gz KBLXMUMJJKKJAP-NMRWETQTSA-N 0 0 430.548 6.759 50 30 IKEARN CN(C)C=[NH+]C([O-])=C(c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl ZINC000012861387 523968308 /nfs/dbraw/zinc/96/83/08/523968308.db2.gz SMISJDSFXHUEBI-LNILKRBFSA-N 0 0 438.664 5.309 50 30 IKEARN CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000003041722 523993043 /nfs/dbraw/zinc/99/30/43/523993043.db2.gz IIOQULHHIKEEGA-COOPMVRXSA-N 0 0 442.588 5.103 50 30 IKEARN CN1CCc2c(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc(N3CCCC3)c2C1 ZINC000020663651 523994738 /nfs/dbraw/zinc/99/47/38/523994738.db2.gz VOURRRMZPSHLRS-UHFFFAOYSA-N 0 0 433.408 5.140 50 30 IKEARN CCc1ccc(OCc2nnc(Sc3ccc(C#N)cn3)n2[C@@H](C)c2ccccc2)cc1 ZINC000024758913 524007649 /nfs/dbraw/zinc/00/76/49/524007649.db2.gz RWJQJURBJLDNQS-SFHVURJKSA-N 0 0 441.560 5.447 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006197638 524052067 /nfs/dbraw/zinc/05/20/67/524052067.db2.gz WLIPUUDIJUGUGY-VWLOTQADSA-N 0 0 444.575 5.500 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 ZINC000013571036 524059956 /nfs/dbraw/zinc/05/99/56/524059956.db2.gz QEHNNDUUHHJSQI-HXUWFJFHSA-N 0 0 430.485 5.235 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 ZINC000013569452 524060448 /nfs/dbraw/zinc/06/04/48/524060448.db2.gz WRRZDJSSYKHCQI-JOCHJYFZSA-N 0 0 440.524 5.642 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 ZINC000013571034 524060467 /nfs/dbraw/zinc/06/04/67/524060467.db2.gz QEHNNDUUHHJSQI-FQEVSTJZSA-N 0 0 430.485 5.235 50 30 IKEARN CNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000021722390 524077130 /nfs/dbraw/zinc/07/71/30/524077130.db2.gz UPRZMAGQQCKCLP-GKVSMKOHSA-N 0 0 443.503 5.002 50 30 IKEARN COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000710575 524107423 /nfs/dbraw/zinc/10/74/23/524107423.db2.gz PQEHEKCBFSELGZ-RUZDIDTESA-N 0 0 445.559 5.085 50 30 IKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000027547204 524109141 /nfs/dbraw/zinc/10/91/41/524109141.db2.gz FMXAVHXMSUUXJW-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000008857110 524109555 /nfs/dbraw/zinc/10/95/55/524109555.db2.gz CTIPLYGVRCKMJB-DRXICBGTSA-N 0 0 431.488 5.157 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000000709514 524131480 /nfs/dbraw/zinc/13/14/80/524131480.db2.gz OJVSDPMGDOHGSH-DWXRJYCRSA-N 0 0 426.516 5.683 50 30 IKEARN Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000021722280 524147073 /nfs/dbraw/zinc/14/70/73/524147073.db2.gz JSJJKZFMYQJYKV-VWLOTQADSA-N 0 0 427.504 6.109 50 30 IKEARN Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1 ZINC000021356000 524147662 /nfs/dbraw/zinc/14/76/62/524147662.db2.gz VCSCNWKOKQMZNU-RUZDIDTESA-N 0 0 443.572 6.577 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000001409138 524186635 /nfs/dbraw/zinc/18/66/35/524186635.db2.gz JQTIPGOKXZTPEI-WXTAPIANSA-N 0 0 430.935 6.328 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1O ZINC000000815892 524187032 /nfs/dbraw/zinc/18/70/32/524187032.db2.gz XYKAAHIVTFOQNE-HFJWLAOPSA-N 0 0 426.516 5.689 50 30 IKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccc(Cl)cc2)[C@@]1(C)Cc1ccccc1 ZINC000027495850 524245031 /nfs/dbraw/zinc/24/50/31/524245031.db2.gz VDURZFJPJBGVOM-VWLOTQADSA-N 0 0 434.008 6.383 50 30 IKEARN COc1ccccc1/C=C/C=C1\CC(C(C)(C)C)C/C(=C\C=C\c2ccccc2OC)C1=O ZINC000004531643 524315608 /nfs/dbraw/zinc/31/56/08/524315608.db2.gz VQJJXFQTUPJNFO-BLVLBNKCSA-N 0 0 442.599 7.308 50 30 IKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O ZINC000002420836 524315763 /nfs/dbraw/zinc/31/57/63/524315763.db2.gz ILKXCWVEDGJAFZ-YUMLRZHGSA-N 0 0 436.866 6.239 50 30 IKEARN COc1ccccc1CN=Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000016751354 524325885 /nfs/dbraw/zinc/32/58/85/524325885.db2.gz OIWVXMWFQDKOLF-CVKSISIWSA-N 0 0 446.507 5.656 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c1 ZINC000027520684 524360110 /nfs/dbraw/zinc/36/01/10/524360110.db2.gz KEOXEUXONYSXGV-RGVLZGJSSA-N 0 0 443.355 6.762 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)c1 ZINC000027520679 524360265 /nfs/dbraw/zinc/36/02/65/524360265.db2.gz IRVYREFMGMQWIV-WQRHYEAKSA-N 0 0 430.371 5.024 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)c1 ZINC000020132782 524409381 /nfs/dbraw/zinc/40/93/81/524409381.db2.gz XJYWMGUXSGHDBJ-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 ZINC000020345347 524420084 /nfs/dbraw/zinc/42/00/84/524420084.db2.gz VAJSXTWRMFMWNY-HHHXNRCGSA-N 0 0 441.531 5.515 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)c(C)c3)S2(=O)=O)cc1 ZINC000020558796 524486351 /nfs/dbraw/zinc/48/63/51/524486351.db2.gz JTYSBGWNNOURLW-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)cc1 ZINC000020575686 524486709 /nfs/dbraw/zinc/48/67/09/524486709.db2.gz FWKOGAZNEVNWLC-BKUYFWCQSA-N 0 0 438.574 5.160 50 30 IKEARN Cc1cccc(Cl)c1OCc1ccc(C=NN2C(=S)N=NC2c2cccs2)o1 ZINC000020617955 524488453 /nfs/dbraw/zinc/48/84/53/524488453.db2.gz NNOSCIQTJDAIIT-UFFVCSGVSA-N 0 0 430.942 5.311 50 30 IKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2)c1 ZINC000013286047 524531123 /nfs/dbraw/zinc/53/11/23/524531123.db2.gz UQQFEPJXAYJMTO-QDJRPKQISA-N 0 0 429.570 6.174 50 30 IKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2O)c1 ZINC000013286109 524531383 /nfs/dbraw/zinc/53/13/83/524531383.db2.gz LHVASEXWARVMIH-QDJRPKQISA-N 0 0 445.569 5.879 50 30 IKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\Cc2ccccc2)c1 ZINC000013286058 524532185 /nfs/dbraw/zinc/53/21/85/524532185.db2.gz MICJGFDZXCOTBN-SLJQUXCSSA-N 0 0 443.597 6.042 50 30 IKEARN COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 ZINC000009264217 524561054 /nfs/dbraw/zinc/56/10/54/524561054.db2.gz QRQLZJVNQOGLIB-DEOSSOPVSA-N 0 0 429.476 5.501 50 30 IKEARN Cc1cccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1C ZINC000021722677 524596802 /nfs/dbraw/zinc/59/68/02/524596802.db2.gz YVLTZMSDPDMRNI-HHHXNRCGSA-N 0 0 441.531 5.515 50 30 IKEARN Cc1cc(C2=CSC(=C3C=CC(=NC(=O)c4ccco4)C=C3)N2)c(C)n1C[C@H]1CCCO1 ZINC000012693137 524603393 /nfs/dbraw/zinc/60/33/93/524603393.db2.gz XSQBKRJUWPOFGY-HXUWFJFHSA-N 0 0 447.560 5.131 50 30 IKEARN Cc1cc(C2=CSC(=C3C=CC(=NC(=O)c4ccco4)C=C3)N2)c(C)n1C[C@@H]1CCCO1 ZINC000012693131 524603826 /nfs/dbraw/zinc/60/38/26/524603826.db2.gz XSQBKRJUWPOFGY-FQEVSTJZSA-N 0 0 447.560 5.131 50 30 IKEARN COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722358 524612913 /nfs/dbraw/zinc/61/29/13/524612913.db2.gz NUGJZDQWIIMPQF-DEOSSOPVSA-N 0 0 445.544 5.969 50 30 IKEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000013147976 524651099 /nfs/dbraw/zinc/65/10/99/524651099.db2.gz WTCGDZPSPLEHQS-QFIPXVFZSA-N 0 0 430.964 6.123 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2Cl)c1 ZINC000064874106 524663593 /nfs/dbraw/zinc/66/35/93/524663593.db2.gz VZUMHIHYNAEIOQ-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(Cl)cc2)c1 ZINC000064874092 524663798 /nfs/dbraw/zinc/66/37/98/524663798.db2.gz CJHFHLVPPIMLAI-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2)c1 ZINC000064873947 524664268 /nfs/dbraw/zinc/66/42/68/524664268.db2.gz ZWQGFFFWTRPOAI-HSZRJFAPSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(Cl)cc2)c1 ZINC000064874094 524664568 /nfs/dbraw/zinc/66/45/68/524664568.db2.gz CJHFHLVPPIMLAI-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)sc2C1 ZINC000033000076 524720030 /nfs/dbraw/zinc/72/00/30/524720030.db2.gz WEKULDGCPFUSPF-CYBMUJFWSA-N 0 0 440.956 5.409 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000002242922 524743246 /nfs/dbraw/zinc/74/32/46/524743246.db2.gz NCOITTTVHHXZIC-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000019867065 524744946 /nfs/dbraw/zinc/74/49/46/524744946.db2.gz BVHGKMCFFRAWEG-UQBPGWFLSA-N 0 0 431.532 5.008 50 30 IKEARN COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000009264189 524804160 /nfs/dbraw/zinc/80/41/60/524804160.db2.gz HANDTTIIHNGZHT-MHZLTWQESA-N 0 0 444.962 6.529 50 30 IKEARN C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000020647088 524885659 /nfs/dbraw/zinc/88/56/59/524885659.db2.gz ASMRQDHESBTGRW-KJJUKEMKSA-N 0 0 432.347 5.793 50 30 IKEARN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)nc3sc4c(c32)CCC4)cc1 ZINC000023406860 524897743 /nfs/dbraw/zinc/89/77/43/524897743.db2.gz HMDBGICISPUTHV-OAHLLOKOSA-N 0 0 436.606 5.224 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009559871 524910566 /nfs/dbraw/zinc/91/05/66/524910566.db2.gz ZYDCFFHSFVTXPW-PXAZEXFGSA-N 0 0 446.330 5.015 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000012641432 524918002 /nfs/dbraw/zinc/91/80/02/524918002.db2.gz QZPOJIVWTYMZEB-LJQANCHMSA-N 0 0 443.446 5.858 50 30 IKEARN COc1ccc(OCCCOc2ccc(C)cc2)c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000012464195 524949657 /nfs/dbraw/zinc/94/96/57/524949657.db2.gz TXCWOMLOVXZTKQ-YZSQISJMSA-N 0 0 447.560 5.907 50 30 IKEARN Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccc(C(F)(F)F)cc3)c1C2 ZINC000020849539 524962031 /nfs/dbraw/zinc/96/20/31/524962031.db2.gz RUBBXXHQWUOKAU-WKULSOCRSA-N 0 0 433.433 6.647 50 30 IKEARN COc1ccc(OCc2cc(/C=C/C(=O)c3ccc(-n4ccnc4)cc3)ccc2OC)cc1 ZINC000013640485 524972556 /nfs/dbraw/zinc/97/25/56/524972556.db2.gz IIYXLHHZHOMYDA-QLKAYGNNSA-N 0 0 440.499 5.365 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)nc1 ZINC000013319833 525020067 /nfs/dbraw/zinc/02/00/67/525020067.db2.gz AUCKOSJKLBGHCU-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN Cc1ccccc1-n1c2nc(SCC#N)n(-c3ccc(F)cc3)c(=O)c2sc1=S ZINC000003026548 525026289 /nfs/dbraw/zinc/02/62/89/525026289.db2.gz FEAVLTLBVRKJRS-UHFFFAOYSA-N 0 0 440.550 5.031 50 30 IKEARN Cc1ccccc1/C=C/C(=O)c1c(=O)n(C(C)C)c2ccc(Cl)cc2c1-c1ccccc1 ZINC000069375182 525039119 /nfs/dbraw/zinc/03/91/19/525039119.db2.gz UTNIVIKWTXGUOG-DTQAZKPQSA-N 0 0 441.958 7.107 50 30 IKEARN Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 ZINC000021722028 525060768 /nfs/dbraw/zinc/06/07/68/525060768.db2.gz CQUACJYGCKLNBJ-SANMLTNESA-N 0 0 443.572 5.676 50 30 IKEARN Cc1ccccc1C(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000008809678 525068432 /nfs/dbraw/zinc/06/84/32/525068432.db2.gz KGUGLYDUGZOWPB-CYXNTTPDSA-N 0 0 449.941 5.933 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1OC ZINC000000812851 525233682 /nfs/dbraw/zinc/23/36/82/525233682.db2.gz KEJCZAYCFMYQRW-SOKVYYICSA-N 0 0 444.506 5.822 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2)cc1C ZINC000064874270 525256442 /nfs/dbraw/zinc/25/64/42/525256442.db2.gz MRFWWEHVTHVRCV-XMMPIXPASA-N 0 0 440.547 5.410 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccccc1Cl ZINC000064874255 525265059 /nfs/dbraw/zinc/26/50/59/525265059.db2.gz OUOHNIRUWMXYLR-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@@H](c3ccccc3)N(c3ccccn3)C2=O)cc1 ZINC000008407924 525267048 /nfs/dbraw/zinc/26/70/48/525267048.db2.gz HPJZGHZBCROJNA-HHHXNRCGSA-N 0 0 445.522 5.727 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 ZINC000000720524 525268234 /nfs/dbraw/zinc/26/82/34/525268234.db2.gz GFHWUBIEAVZQDB-BZQUYTCOSA-N 0 0 432.545 5.745 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O ZINC000009601030 525268468 /nfs/dbraw/zinc/26/84/68/525268468.db2.gz NKJHSBJSERJWFG-JRPXNJEYSA-N 0 0 447.534 6.621 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000000815914 525268710 /nfs/dbraw/zinc/26/87/10/525268710.db2.gz AVDNCSPUPQTZCG-NGOKVRLYSA-N 0 0 440.543 5.992 50 30 IKEARN Cc1cc([O-])c(C[NH+](CC(C)C)CC(C)C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020650339 525314744 /nfs/dbraw/zinc/31/47/44/525314744.db2.gz OQJAVNIHGRVLGU-MSXFZWOLSA-N 0 0 433.548 6.177 50 30 IKEARN COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000004546931 525345544 /nfs/dbraw/zinc/34/55/44/525345544.db2.gz RZWAHTGGSSNXIY-UIOOFZCWSA-N 0 0 439.942 7.166 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O ZINC000252623210 525349276 /nfs/dbraw/zinc/34/92/76/525349276.db2.gz OMJIZRMQBBHMOY-WFJQYXISSA-N 0 0 441.453 7.444 50 30 biogenic IKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009379998 525387671 /nfs/dbraw/zinc/38/76/71/525387671.db2.gz MALXMVHNCKIESU-QFIPXVFZSA-N 0 0 433.891 5.127 50 30 IKEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000040088403 525388202 /nfs/dbraw/zinc/38/82/02/525388202.db2.gz NGEGTHFIGDJQOJ-UHFFFAOYSA-N 0 0 429.423 5.918 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1OC ZINC000000709632 525398723 /nfs/dbraw/zinc/39/87/23/525398723.db2.gz SQPJLGCMLIETMA-QUGAMOGWSA-N 0 0 446.572 6.053 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc32)cc1 ZINC000000681732 525398735 /nfs/dbraw/zinc/39/87/35/525398735.db2.gz SGENHWCBNUIGCF-WRHNGFHOSA-N 0 0 435.527 6.156 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(F)cc2)cc1OC ZINC000028052545 525400794 /nfs/dbraw/zinc/40/07/94/525400794.db2.gz IOCYXWBLZAIPPU-WAIKUNEKSA-N 0 0 434.467 5.098 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1OC ZINC000028052521 525401113 /nfs/dbraw/zinc/40/11/13/525401113.db2.gz HUMNHWCCBPONDM-HOYKHHGWSA-N 0 0 430.504 5.267 50 30 IKEARN Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[nH]c1Cc1ccccc1 ZINC000012550618 525413744 /nfs/dbraw/zinc/41/37/44/525413744.db2.gz FHIFBRDJJJMDPX-AWEZNQCLSA-N 0 0 436.606 5.098 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O ZINC000013568557 525431178 /nfs/dbraw/zinc/43/11/78/525431178.db2.gz BNQZVNDPPTXWIL-WGDIFIGCSA-N 0 0 446.934 6.034 50 30 IKEARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 ZINC000013510873 525436210 /nfs/dbraw/zinc/43/62/10/525436210.db2.gz UFDWOEGWKFJWOX-WEWMWRJBSA-N 0 0 431.495 5.105 50 30 IKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012612045 525439004 /nfs/dbraw/zinc/43/90/04/525439004.db2.gz XUCXOTNIKLAVIN-QHCPKHFHSA-N 0 0 431.511 5.529 50 30 IKEARN Cc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1 ZINC000018152141 525483049 /nfs/dbraw/zinc/48/30/49/525483049.db2.gz LVZFJEWUZGATPC-YYADALCUSA-N 0 0 436.920 5.019 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)OCc1ccccc1 ZINC000012445217 525502152 /nfs/dbraw/zinc/50/21/52/525502152.db2.gz DJWUJXOFCGPZHH-HXUWFJFHSA-N 0 0 425.315 6.706 50 30 IKEARN Cc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(C)n1C1CC1 ZINC000012562903 525552660 /nfs/dbraw/zinc/55/26/60/525552660.db2.gz DELCHVFJSPRIGE-VWLOTQADSA-N 0 0 440.591 6.135 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000035078926 525597033 /nfs/dbraw/zinc/59/70/33/525597033.db2.gz UPOMMTKKTGMQLV-NVMNQCDNSA-N 0 0 433.573 5.989 50 30 IKEARN CSCC[C@H]1c2c(C)nn(-c3nc4ccccc4s3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000012555254 525598667 /nfs/dbraw/zinc/59/86/67/525598667.db2.gz YJOQTSVEXFWMEO-AWEZNQCLSA-N 0 0 438.622 5.696 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4cccs4)ccc3C1=O)cn2C ZINC000008993441 525599982 /nfs/dbraw/zinc/59/99/82/525599982.db2.gz HNTITLSLSRARKI-UFFVCSGVSA-N 0 0 431.469 5.084 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(Cl)cc4)ccc3C1=O)cn2C ZINC000028182503 525600155 /nfs/dbraw/zinc/60/01/55/525600155.db2.gz FFLARXNIEYFXAT-GATIEOLUSA-N 0 0 445.902 6.036 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 ZINC000257346688 525623672 /nfs/dbraw/zinc/62/36/72/525623672.db2.gz KNJVWAVLNHNHKV-RGUSOMRDSA-N 0 0 430.654 6.502 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000245238995 525623859 /nfs/dbraw/zinc/62/38/59/525623859.db2.gz DJKUHJBPRWSFHW-HFCOYQBISA-N 0 0 430.654 6.502 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1 ZINC000032828836 525628258 /nfs/dbraw/zinc/62/82/58/525628258.db2.gz FJKVPUGGJCDBFY-OAQYLSRUSA-N 0 0 437.590 5.402 50 30 IKEARN COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000008456297 525650991 /nfs/dbraw/zinc/65/09/91/525650991.db2.gz FEMIEZRCXCANGU-ZEHKLFRWSA-N 0 0 436.536 6.657 50 30 IKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1 ZINC000015979099 525669879 /nfs/dbraw/zinc/66/98/79/525669879.db2.gz VSBQPCNLHHCOQI-UUILKARUSA-N 0 0 441.455 6.552 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000008413277 525675864 /nfs/dbraw/zinc/67/58/64/525675864.db2.gz VVJIIMFCLMYORP-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c12 ZINC000008993207 525679481 /nfs/dbraw/zinc/67/94/81/525679481.db2.gz XZQKBCKJWBUOHW-LUOAPIJWSA-N 0 0 448.889 5.028 50 30 IKEARN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)c2ccccc2SC(F)F)c1C#N ZINC000012478939 525680667 /nfs/dbraw/zinc/68/06/67/525680667.db2.gz ALLVGJFBZYMRDK-UHFFFAOYSA-N 0 0 447.507 5.202 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2nc3ccccc3s2)c1C#N ZINC000057290051 525681340 /nfs/dbraw/zinc/68/13/40/525681340.db2.gz YTLCRADGHOEFTP-UHFFFAOYSA-N 0 0 435.597 5.162 50 30 IKEARN Cc1ccc(-c2cc(/C=C/c3ccc4c(c3)OCO4)c(C#N)c3nc4ccccc4n32)cc1 ZINC000012546257 525715535 /nfs/dbraw/zinc/71/55/35/525715535.db2.gz JZBIZRLRAUIMER-XYOKQWHBSA-N 0 0 429.479 6.234 50 30 IKEARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3n2)cc1 ZINC000009775302 525732564 /nfs/dbraw/zinc/73/25/64/525732564.db2.gz HGNZWZJOSASZGC-UHFFFAOYSA-N 0 0 449.436 5.432 50 30 IKEARN Cc1c(Cc2ccccc2)sc(/N=C/c2ccccc2OCc2ccccc2)c1C(N)=O ZINC000002133690 525739721 /nfs/dbraw/zinc/73/97/21/525739721.db2.gz BWDBEDALCGQOSI-STBIYBPSSA-N 0 0 440.568 6.076 50 30 IKEARN COc1cccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)c1 ZINC000008437054 525761514 /nfs/dbraw/zinc/76/15/14/525761514.db2.gz XVPZVSNYEKASNZ-UYRXBGFRSA-N 0 0 445.471 5.286 50 30 IKEARN COc1cccc(/C=N/c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000100383990 525774512 /nfs/dbraw/zinc/77/45/12/525774512.db2.gz WJFSQIFQKBKHBG-VULFUBBASA-N 0 0 429.347 6.398 50 30 IKEARN COc1cccc(C(=O)C=CNc2ccc(NC=CC(=O)c3cccc(OC)c3)cc2)c1 ZINC000002300121 525780427 /nfs/dbraw/zinc/78/04/27/525780427.db2.gz UGZFJQIQAGKUKL-WXUKJITCSA-N 0 0 428.488 5.321 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 ZINC000006407948 525787148 /nfs/dbraw/zinc/78/71/48/525787148.db2.gz GFBWHKMHZFPNDT-IVZQSRNASA-N 0 0 427.591 5.431 50 30 IKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)o1 ZINC000000994428 525789621 /nfs/dbraw/zinc/78/96/21/525789621.db2.gz NVDLQMQDNXREAN-HHHXNRCGSA-N 0 0 440.543 5.974 50 30 IKEARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000020606254 525934735 /nfs/dbraw/zinc/93/47/35/525934735.db2.gz YBSVIYLDKAMQIP-ZIAGYGMSSA-N 0 0 427.526 5.085 50 30 IKEARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000020606252 525940777 /nfs/dbraw/zinc/94/07/77/525940777.db2.gz YBSVIYLDKAMQIP-KBPBESRZSA-N 0 0 427.526 5.085 50 30 IKEARN Cc1ccc(/C=C2/SC(=S)N(/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000012273879 525959397 /nfs/dbraw/zinc/95/93/97/525959397.db2.gz IVPFVTFQOUFMCQ-WCEDTRLTSA-N 0 0 449.513 5.399 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 ZINC000009113494 525982235 /nfs/dbraw/zinc/98/22/35/525982235.db2.gz VVLLUTNDRUIFPM-MWTRTKDXSA-N 0 0 441.618 5.679 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000064874083 525986548 /nfs/dbraw/zinc/98/65/48/525986548.db2.gz XQSGFJVHESHMTG-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000015303962 525987228 /nfs/dbraw/zinc/98/72/28/525987228.db2.gz LLNRKJFJWZESND-NIYFSFCBSA-N 0 0 448.488 6.993 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000001123569 525987711 /nfs/dbraw/zinc/98/77/11/525987711.db2.gz CJXMQLAXIVLDAD-WXTAPIANSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc(C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)c2nc3ccccc3o2)cc1 ZINC000008858232 526013631 /nfs/dbraw/zinc/01/36/31/526013631.db2.gz OSKFBRDHMDXVKP-JWGURIENSA-N 0 0 439.898 7.473 50 30 IKEARN Cc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 ZINC000008611811 526015231 /nfs/dbraw/zinc/01/52/31/526015231.db2.gz SACYANIVAVEYTE-MIFWMJNYSA-N 0 0 436.555 5.269 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000008996553 526023769 /nfs/dbraw/zinc/02/37/69/526023769.db2.gz GQNKIKRBGGKUKO-JOCHJYFZSA-N 0 0 430.504 5.059 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984413 526030986 /nfs/dbraw/zinc/03/09/86/526030986.db2.gz KVGDLSHRTQQERX-UHFFFAOYSA-N 0 0 449.547 6.216 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000000681727 526042560 /nfs/dbraw/zinc/04/25/60/526042560.db2.gz MWVFFRFOJIOESC-AFMDSPMNSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000000681725 526043505 /nfs/dbraw/zinc/04/35/05/526043505.db2.gz MWVFFRFOJIOESC-NIYFSFCBSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc([C@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849697 526046215 /nfs/dbraw/zinc/04/62/15/526046215.db2.gz WPTSZLWFLAHUPM-HXUWFJFHSA-N 0 0 428.492 5.494 50 30 IKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793372 526046831 /nfs/dbraw/zinc/04/68/31/526046831.db2.gz IJYDOFLNIGXWJM-OAQYLSRUSA-N 0 0 443.572 5.656 50 30 IKEARN CSc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000001185119 526078085 /nfs/dbraw/zinc/07/80/85/526078085.db2.gz VOAABNTYLFSTQX-AREMUKBSSA-N 0 0 440.568 6.225 50 30 IKEARN Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(C)cc1 ZINC000012492160 526080570 /nfs/dbraw/zinc/08/05/70/526080570.db2.gz SXIQDAJJHZBHMM-BWAHOGKJSA-N 0 0 431.539 6.702 50 30 IKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccc(Br)cc3)c(-c3ccccc3)c2c1 ZINC000013424261 526095518 /nfs/dbraw/zinc/09/55/18/526095518.db2.gz VPOOTIZUKSQPMW-UVTDQMKNSA-N 0 0 444.328 6.162 50 30 IKEARN CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1 ZINC000032984264 526107424 /nfs/dbraw/zinc/10/74/24/526107424.db2.gz QTQGWMLKESJHEE-UHFFFAOYSA-N 0 0 435.570 5.675 50 30 IKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1 ZINC000006498689 526209713 /nfs/dbraw/zinc/20/97/13/526209713.db2.gz COFDEJPZEYLXTK-QLXKLKPCSA-N 0 0 428.488 5.112 50 30 IKEARN Cc1ccc(C(=O)Nc2cccc(/C=C(\C(=O)c3ccccc3)C(=O)C(F)(F)F)c2)cc1 ZINC000096870912 526223889 /nfs/dbraw/zinc/22/38/89/526223889.db2.gz SNXHIMZJNQDTNS-RCCKNPSSSA-N 0 0 437.417 5.645 50 30 IKEARN C[C@@H]1CC(C)(C)N(C)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000230144274 526224343 /nfs/dbraw/zinc/22/43/43/526224343.db2.gz FMTLDGNAGVCGTD-CPJLOUKISA-N 0 0 426.564 5.780 50 30 IKEARN Cc1ccc(C(C)C)c(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000013894659 526248248 /nfs/dbraw/zinc/24/82/48/526248248.db2.gz TUUFBQSLMZFIEO-OVVQPSECSA-N 0 0 447.535 6.321 50 30 IKEARN Cc1ccc2[nH]c(=NC(=NS(=O)(=O)c3cccs3)c3ccccc3Cl)sc2c1 ZINC000013637464 526251304 /nfs/dbraw/zinc/25/13/04/526251304.db2.gz AFYKSRZKQNSDIX-UHFFFAOYSA-N 0 0 447.994 5.567 50 30 IKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013896096 526292083 /nfs/dbraw/zinc/29/20/83/526292083.db2.gz KKEWDDSIGZQNBQ-FEDGQQDLSA-N 0 0 436.714 6.621 50 30 IKEARN Fc1c(F)c(F)c(N=NCc2cccc(OCc3ccc(Cl)cc3)c2)c(F)c1F ZINC000016399531 526293672 /nfs/dbraw/zinc/29/36/72/526293672.db2.gz QBXFQVLTLNLCDL-OXUBWTJQSA-N 0 0 426.772 6.061 50 30 IKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-n2cnc3ccccc32)cc1 ZINC000012684781 526315179 /nfs/dbraw/zinc/31/51/79/526315179.db2.gz RCDAMWAUGBPBAE-DTQAZKPQSA-N 0 0 431.499 5.369 50 30 IKEARN Oc1ccc(Br)cc1CN=Nc1ncnc2scc(-c3ccccc3)c21 ZINC000009344405 526342224 /nfs/dbraw/zinc/34/22/24/526342224.db2.gz KEICPTUDLMCUBO-NUGSKGIGSA-N 0 0 425.311 5.272 50 30 IKEARN O=C([O-])c1ccc(NC(NCCc2ccccc2)=[NH+]CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065304878 526372358 /nfs/dbraw/zinc/37/23/58/526372358.db2.gz BCGRRYGRGBPJGG-UHFFFAOYSA-N 0 0 445.607 5.592 50 30 IKEARN Fc1cccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1 ZINC000013304461 526381685 /nfs/dbraw/zinc/38/16/85/526381685.db2.gz GYCLWOGZMAPNDQ-CVKSISIWSA-N 0 0 447.311 6.158 50 30 IKEARN S=c1[n-]nc(-c2cccs2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013658332 526387117 /nfs/dbraw/zinc/38/71/17/526387117.db2.gz XUABPJVSOFIUNS-OEAKJJBVSA-N 0 0 428.546 5.404 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c2ccccc2cc2ccccc21 ZINC000239165247 526390142 /nfs/dbraw/zinc/39/01/42/526390142.db2.gz NTOXDXURZCUULB-UHFFFAOYSA-N 0 0 449.366 6.729 50 30 IKEARN N#CC(CCCCC(C#N)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001673518 526430055 /nfs/dbraw/zinc/43/00/55/526430055.db2.gz CRFRCHLTAYEDAD-UHFFFAOYSA-N 0 0 440.590 7.567 50 30 IKEARN O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012261629 526436376 /nfs/dbraw/zinc/43/63/76/526436376.db2.gz NMXGNMKXWUAPGX-INIZCTEOSA-N 0 0 449.322 5.040 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)N(c1ccccc1)c1ccccc1 ZINC000013653673 526443381 /nfs/dbraw/zinc/44/33/81/526443381.db2.gz RXODHIGWJAQSBO-ITYLOYPMSA-N 0 0 433.463 6.640 50 30 IKEARN O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1cccc(Br)c1 ZINC000033347497 526446851 /nfs/dbraw/zinc/44/68/51/526446851.db2.gz DREXLKILYVSAOE-DEDYPNTBSA-N 0 0 437.314 5.998 50 30 IKEARN c1ccc(-c2nc(N=NC3c4ccccc4-c4ccccc43)sc2-c2ccccc2)cc1 ZINC000051329856 526454693 /nfs/dbraw/zinc/45/46/93/526454693.db2.gz XWIYEJFALCZHQB-UHFFFAOYSA-N 0 0 429.548 7.322 50 30 IKEARN N#CCCSc1ccccc1NC(=O)c1ccc(Cl)cc1I ZINC000078668647 526462968 /nfs/dbraw/zinc/46/29/68/526462968.db2.gz AHGCFRBABCYRNF-UHFFFAOYSA-N 0 0 442.709 5.203 50 30 IKEARN N#C[C@@H](C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2)C(=S)Nc1ccccc1 ZINC000071415887 526494828 /nfs/dbraw/zinc/49/48/28/526494828.db2.gz VAQHLYITMJLBCV-QHCPKHFHSA-N 0 0 448.551 5.400 50 30 IKEARN N#C[C@@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC2c3ccccc3C1c1ccccc12 ZINC000000850343 526502797 /nfs/dbraw/zinc/50/27/97/526502797.db2.gz MZHSLOSHZGMASS-UEYYRQBOSA-N 0 0 441.534 6.560 50 30 IKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C1\C(=O)Nc2c1cc(C)cc2Br ZINC000008386344 526504964 /nfs/dbraw/zinc/50/49/64/526504964.db2.gz PRWLKUINVQJXBU-UHFFFAOYSA-N 0 0 441.354 5.322 50 30 IKEARN N#Cc1c(N)nc2sc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c2c1-c1ccccc1 ZINC000020840780 526528244 /nfs/dbraw/zinc/52/82/44/526528244.db2.gz OVYRSTORYRNKFS-UHFFFAOYSA-N 0 0 446.535 5.897 50 30 IKEARN N#Cc1c(NC(=O)CO/N=C/c2cccs2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000002403557 526529521 /nfs/dbraw/zinc/52/95/21/526529521.db2.gz QLEUAUCXSXUIOE-CVKSISIWSA-N 0 0 427.485 5.536 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CCCc1nc(-c3ccc(Cl)cc3)no1)CCCC2 ZINC000033000074 526532447 /nfs/dbraw/zinc/53/24/47/526532447.db2.gz RLKNCKNRMYVAGU-UHFFFAOYSA-N 0 0 426.929 5.163 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1)CCCC2 ZINC000012602866 526532514 /nfs/dbraw/zinc/53/25/14/526532514.db2.gz RRQJUMQNOWTVNB-UHFFFAOYSA-N 0 0 428.970 5.068 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(-c2ccc(Cl)cc2)cc1/C=C/c1ccc2c(c1)OCO2 ZINC000033778161 526533831 /nfs/dbraw/zinc/53/38/31/526533831.db2.gz QXBPFXXRLCVZJL-FNORWQNLSA-N 0 0 449.897 6.579 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000001004284 526534139 /nfs/dbraw/zinc/53/41/39/526534139.db2.gz APMZEFXZOFHVBB-UHFFFAOYSA-N 0 0 427.826 5.533 50 30 IKEARN N#Cc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(F)cc2)cc1 ZINC000012600042 526586922 /nfs/dbraw/zinc/58/69/22/526586922.db2.gz ZNOUGXUAZKNTMO-UHFFFAOYSA-N 0 0 447.922 6.178 50 30 IKEARN N#Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c(F)c1 ZINC000012428823 526602441 /nfs/dbraw/zinc/60/24/41/526602441.db2.gz VSEWAXUPKGQTOT-UHFFFAOYSA-N 0 0 426.234 6.065 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000035839958 526632490 /nfs/dbraw/zinc/63/24/90/526632490.db2.gz TUMBRIXGVNKHJC-UHFFFAOYSA-N 0 0 426.423 5.710 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000009530889 526675688 /nfs/dbraw/zinc/67/56/88/526675688.db2.gz PUNJQDNEQDEVMZ-SPLOXXLWSA-N 0 0 425.315 6.248 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009482644 526676795 /nfs/dbraw/zinc/67/67/95/526676795.db2.gz YDEVQCXZQIFRED-SZNDQCEHSA-N 0 0 441.314 5.954 50 30 IKEARN O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022647586 526691794 /nfs/dbraw/zinc/69/17/94/526691794.db2.gz SQZNDZZSKRKQBA-UHFFFAOYSA-N 0 0 433.367 5.958 50 30 IKEARN N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012757243 526739126 /nfs/dbraw/zinc/73/91/26/526739126.db2.gz RGKVPMLJMVKWKK-WOJBJXKFSA-N 0 0 435.618 5.491 50 30 IKEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000009390533 526743199 /nfs/dbraw/zinc/74/31/99/526743199.db2.gz NHMGWNBGLQRNAC-UHFFFAOYSA-N 0 0 435.528 5.192 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1c(F)cccc1Cl)N2 ZINC000009861362 526798547 /nfs/dbraw/zinc/79/85/47/526798547.db2.gz ZUEWCCDXEGVPEP-RUZDIDTESA-N 0 0 446.909 6.296 50 30 IKEARN N=C(NOC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000012369156 526803856 /nfs/dbraw/zinc/80/38/56/526803856.db2.gz JDTKQDUEAOPONH-UHFFFAOYSA-N 0 0 443.208 5.750 50 30 IKEARN N=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000012369854 526804512 /nfs/dbraw/zinc/80/45/12/526804512.db2.gz MXOMABNOTBNZMF-UHFFFAOYSA-N 0 0 435.789 5.023 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccc(Cl)cc1 ZINC000020503273 526827099 /nfs/dbraw/zinc/82/70/99/526827099.db2.gz SPHWAESSUMLAPL-RUZDIDTESA-N 0 0 447.922 5.552 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cc(F)ccc1F ZINC000021722703 526827170 /nfs/dbraw/zinc/82/71/70/526827170.db2.gz SALLTGFYYHQWOM-VWLOTQADSA-N 0 0 449.457 5.177 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1Cl ZINC000020503269 526827265 /nfs/dbraw/zinc/82/72/65/526827265.db2.gz IMRSGLGDIAWKDK-RUZDIDTESA-N 0 0 447.922 5.552 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(Cl)cc1 ZINC000020503275 526827838 /nfs/dbraw/zinc/82/78/38/526827838.db2.gz SPHWAESSUMLAPL-VWLOTQADSA-N 0 0 447.922 5.552 50 30 IKEARN Cc1sc(N=CNOC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)c(Cl)c1 ZINC000012370117 526879069 /nfs/dbraw/zinc/87/90/69/526879069.db2.gz SXKGJVNKFAPMSV-UHFFFAOYSA-N 0 0 430.873 5.201 50 30 IKEARN Cc1nc(COc2ccc(C(=O)Nc3cccc(C#Cc4cccs4)c3)cc2)cs1 ZINC000012973412 526905928 /nfs/dbraw/zinc/90/59/28/526905928.db2.gz BPTJCNWOOPABKK-UHFFFAOYSA-N 0 0 430.554 5.744 50 30 IKEARN O=C1/C(=C\c2cccc(C(F)(F)F)c2)S/C(=N/c2ccccc2)N1Cc1ccco1 ZINC000013546740 526946441 /nfs/dbraw/zinc/94/64/41/526946441.db2.gz BUQUYMMABQGASJ-JLDGAKEBSA-N 0 0 428.435 6.103 50 30 IKEARN O=C1C(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(Cl)cc1Cl ZINC000020615716 526947519 /nfs/dbraw/zinc/94/75/19/526947519.db2.gz QCPCXGCTXYECRB-LKUDQCMESA-N 0 0 441.274 5.265 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000102861247 526955959 /nfs/dbraw/zinc/95/59/59/526955959.db2.gz KTVQIUIZLKMUFG-YDJIHCHBSA-N 0 0 439.298 5.010 50 30 IKEARN O=C1C(=O)N(c2ccccc2)C(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017154880 526957618 /nfs/dbraw/zinc/95/76/18/526957618.db2.gz ZWNJGNCJOKAGTH-ZUSIYWPSSA-N 0 0 444.494 5.527 50 30 IKEARN O=C1C=C2C(=N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 ZINC000013583079 526960152 /nfs/dbraw/zinc/96/01/52/526960152.db2.gz WCSNDIBBXOJAOR-WQQNLHNWSA-N 0 0 442.562 6.597 50 30 IKEARN O=C1C=C2C(=N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 ZINC000009272396 526960617 /nfs/dbraw/zinc/96/06/17/526960617.db2.gz WCSNDIBBXOJAOR-DLSWINDVSA-N 0 0 442.562 6.597 50 30 IKEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001037850 526961645 /nfs/dbraw/zinc/96/16/45/526961645.db2.gz PUKJYFXSIZVOKE-UHFFFAOYSA-N 0 0 427.344 5.736 50 30 IKEARN O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2c1ccc(Cl)cc1 ZINC000000712377 526965888 /nfs/dbraw/zinc/96/58/88/526965888.db2.gz HSAOUOCDHBXCPU-UHFFFAOYSA-N 0 0 448.906 5.866 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@@H](c3ccccc3F)C12 ZINC000009856570 526969295 /nfs/dbraw/zinc/96/92/95/526969295.db2.gz RMZBRMGTRPFGKU-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2 ZINC000017178668 526969320 /nfs/dbraw/zinc/96/93/20/526969320.db2.gz FNEAMGRDWADKJD-IBGZPJMESA-N 0 0 433.508 5.178 50 30 IKEARN Clc1ccccc1-c1nc2ccccc2c(N=NCc2ccc(Br)cc2)n1 ZINC000013756951 526985261 /nfs/dbraw/zinc/98/52/61/526985261.db2.gz KGTDCOZSANZICY-ZMOGYAJESA-N 0 0 437.728 6.159 50 30 IKEARN Clc1ccccc1/C=C/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000001955890 526985488 /nfs/dbraw/zinc/98/54/88/526985488.db2.gz BTYMLZPPNWAYDA-CGKKIJBTSA-N 0 0 437.724 7.326 50 30 IKEARN Clc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C/c3ccccc3Cl)cc2)cc1 ZINC000100483959 526987473 /nfs/dbraw/zinc/98/74/73/526987473.db2.gz ALDSXUXLVATGJO-YAGSLNJISA-N 0 0 445.349 8.287 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Br)cc1)Nc1ccccc1N2 ZINC000001082741 527022564 /nfs/dbraw/zinc/02/25/64/527022564.db2.gz UXDRVWWJZZMUSG-AVRWGWEMSA-N 0 0 445.360 6.429 50 30 IKEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349383 527023838 /nfs/dbraw/zinc/02/38/38/527023838.db2.gz SLQSBFMATHCORO-AVRDEDQJSA-N 0 0 439.540 5.802 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(Br)c1)Nc1ccccc1N2 ZINC000000672600 527024776 /nfs/dbraw/zinc/02/47/76/527024776.db2.gz JKOMNYJZWAZQKC-BVZFJXPGSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000000709778 527032840 /nfs/dbraw/zinc/03/28/40/527032840.db2.gz KKFOCULDYZFJPV-CLYVBNDRSA-N 0 0 434.495 5.773 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000009261312 527041848 /nfs/dbraw/zinc/04/18/48/527041848.db2.gz QMQJEKHQXPJWHT-FYJGNVAPSA-N 0 0 438.911 5.950 50 30 IKEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000013145559 527042960 /nfs/dbraw/zinc/04/29/60/527042960.db2.gz KYZPDXKYUDWQMG-GZTJUZNOSA-N 0 0 430.913 6.115 50 30 IKEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc(Br)cc1 ZINC000001010917 527042977 /nfs/dbraw/zinc/04/29/77/527042977.db2.gz XLWSKUBLWXTHOA-LDADJPATSA-N 0 0 442.313 5.271 50 30 IKEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(O)c(Br)c1 ZINC000036245314 527043666 /nfs/dbraw/zinc/04/36/66/527043666.db2.gz OZIYDCKYRPBCEY-VGOFMYFVSA-N 0 0 443.244 5.065 50 30 IKEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000035646123 527043901 /nfs/dbraw/zinc/04/39/01/527043901.db2.gz URWAZAFYBWPTNS-YVLHZVERSA-N 0 0 449.746 6.798 50 30 IKEARN O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100499064 527084488 /nfs/dbraw/zinc/08/44/88/527084488.db2.gz BKVSGKFSOGKEMG-MLQDUXEUSA-N 0 0 427.451 6.052 50 30 IKEARN O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000100878557 527103176 /nfs/dbraw/zinc/10/31/76/527103176.db2.gz DCUGRKVJPDVMFU-FRMXWXCUSA-N 0 0 441.915 5.149 50 30 IKEARN NC(=S)N/N=C/C1=C(c2ccccc2)S[C@@H](c2ccccc2)C(Cc2ccccc2)=C1 ZINC000002981296 527109702 /nfs/dbraw/zinc/10/97/02/527109702.db2.gz SHIMQAFXPKRXRL-USMPFQSLSA-N 0 0 441.625 5.874 50 30 IKEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNCCc1ccc(Cl)cc1Cl ZINC000100393917 527120827 /nfs/dbraw/zinc/12/08/27/527120827.db2.gz TZNHOYJXOBGSOX-ZSOIEALJSA-N 0 0 446.559 5.691 50 30 IKEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1cccc(Br)c1 ZINC000002405871 527123004 /nfs/dbraw/zinc/12/30/04/527123004.db2.gz NSIHDZCGMYLYDX-NHDPSOOVSA-N 0 0 425.253 5.783 50 30 IKEARN O=C1c2sccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000020575609 527139142 /nfs/dbraw/zinc/13/91/42/527139142.db2.gz WCESJOOQGMNZBA-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNc1cccc(Cl)c1 ZINC000020575848 527139369 /nfs/dbraw/zinc/13/93/69/527139369.db2.gz KZJXBGNMLSBOMB-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccnc2ccccc12 ZINC000222312704 527157047 /nfs/dbraw/zinc/15/70/47/527157047.db2.gz XQGSNEWPIIXTKA-QINSGFPZSA-N 0 0 434.926 7.308 50 30 IKEARN O=C(Nc1ccc(Br)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002648586 527159818 /nfs/dbraw/zinc/15/98/18/527159818.db2.gz TXRGKDUTMXFZPJ-UHFFFAOYSA-N 0 0 430.117 5.878 50 30 IKEARN O=S(=O)(N=C1CCCN1)c1cccc(Nc2cc(-c3ccccc3)c3ccccc3n2)c1 ZINC000034889489 527161233 /nfs/dbraw/zinc/16/12/33/527161233.db2.gz QBROUCKHPWGOOK-UHFFFAOYSA-N 0 0 442.544 5.116 50 30 IKEARN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(C=Nc2cccc3ccccc32)cc1 ZINC000002141294 527175142 /nfs/dbraw/zinc/17/51/42/527175142.db2.gz ZEMMODOPIHWTTQ-JFLMPSFJSA-N 0 0 435.310 7.508 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000004510721 527180962 /nfs/dbraw/zinc/18/09/62/527180962.db2.gz KJDBKCWLYUQUQK-ZMOGYAJESA-N 0 0 439.924 6.191 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 ZINC000002209706 527181056 /nfs/dbraw/zinc/18/10/56/527181056.db2.gz FOPDCUVSFHWKBE-UOODYVSWSA-N 0 0 435.936 5.505 50 30 IKEARN Cc1nc2sc(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c(N)c2c(C)c1C ZINC000013574628 527205461 /nfs/dbraw/zinc/20/54/61/527205461.db2.gz JDWVWYDZXQOQTJ-ZHACJKMWSA-N 0 0 447.585 6.014 50 30 IKEARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000013004344 527245935 /nfs/dbraw/zinc/24/59/35/527245935.db2.gz OTROLKXJQPCZTE-UHFFFAOYSA-N 0 0 447.310 5.224 50 30 IKEARN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652129 527302082 /nfs/dbraw/zinc/30/20/82/527302082.db2.gz WRUZWXKDTPBPFF-VWLOTQADSA-N 0 0 448.975 6.151 50 30 IKEARN O=[N+]([O-])C(C=Nc1ccc(C2CCCCC2)cc1)=CNc1ccc(C2CCCCC2)cc1 ZINC000100700156 527319425 /nfs/dbraw/zinc/31/94/25/527319425.db2.gz LEOQHCSULHBRTG-MMNQROFBSA-N 0 0 431.580 7.715 50 30 IKEARN O=[N+]([O-])c1cc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)ccc1Cl ZINC000012360585 527324517 /nfs/dbraw/zinc/32/45/17/527324517.db2.gz MPIDSJVLDHWOOR-ZMOGYAJESA-N 0 0 432.823 6.167 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2Cl)ccc1SCc1ccccc1 ZINC000012960115 527326249 /nfs/dbraw/zinc/32/62/49/527326249.db2.gz UEUIRMCVLYHOOZ-WYMPLXKRSA-N 0 0 447.343 6.745 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn32)c(Cl)cc1Cl ZINC000103756939 527326379 /nfs/dbraw/zinc/32/63/79/527326379.db2.gz GNMIPJKISWRCRN-GZIVZEMBSA-N 0 0 435.654 6.213 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1Sc1ccccc1 ZINC000003028608 527326763 /nfs/dbraw/zinc/32/67/63/527326763.db2.gz RPYSKTGEIVKIPN-FSJBWODESA-N 0 0 433.316 6.604 50 30 IKEARN O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1 ZINC000012344389 527358165 /nfs/dbraw/zinc/35/81/65/527358165.db2.gz KZGNBXVUOMMFGE-ZMOGYAJESA-N 0 0 431.408 5.009 50 30 IKEARN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000022015545 527358394 /nfs/dbraw/zinc/35/83/94/527358394.db2.gz LQGJJVDKSAGEQV-PLRJNAJWSA-N 0 0 430.342 5.386 50 30 IKEARN O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722342 527415951 /nfs/dbraw/zinc/41/59/51/527415951.db2.gz WUOQABCHMVFLCT-QHCPKHFHSA-N 0 0 449.963 6.614 50 30 IKEARN Nc1c(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000059530776 527429142 /nfs/dbraw/zinc/42/91/42/527429142.db2.gz MMXWIZPWTDDFOU-UHFFFAOYSA-N 0 0 441.215 7.011 50 30 IKEARN O=C(NC(=O)c1c(F)cccc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl ZINC000043058489 527458013 /nfs/dbraw/zinc/45/80/13/527458013.db2.gz YNKFZRGTXAPYFD-UHFFFAOYSA-N 0 0 446.681 5.618 50 30 IKEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)CCCC3 ZINC000009234237 527459856 /nfs/dbraw/zinc/45/98/56/527459856.db2.gz RUDFLUDTVWCYGM-LUOAPIJWSA-N 0 0 443.450 5.498 50 30 IKEARN O=C(Nc1nc(-c2c(Cl)cccc2Cl)no1)O/N=C/c1c(Cl)cccc1Cl ZINC000012369570 527496879 /nfs/dbraw/zinc/49/68/79/527496879.db2.gz DDZCFUDUKLDALZ-QPSGOUHRSA-N 0 0 446.077 5.933 50 30 IKEARN O=c1oc2ccc3ccccc3c2cc1-c1csc(N=NCc2ccc(Cl)cc2)n1 ZINC000013739357 527498913 /nfs/dbraw/zinc/49/89/13/527498913.db2.gz UIMNMRVKUSHGHN-BRJLIKDPSA-N 0 0 431.904 6.169 50 30 IKEARN O=C(NC1CCCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652153 527514056 /nfs/dbraw/zinc/51/40/56/527514056.db2.gz SQDBBVURPPOYFW-RUZDIDTESA-N 0 0 449.982 6.363 50 30 IKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000018196673 527522733 /nfs/dbraw/zinc/52/27/33/527522733.db2.gz MYOJHVPITZDGNY-XMMPIXPASA-N 0 0 441.531 5.418 50 30 IKEARN O=C(Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccc(F)cc1)c1ccccc1 ZINC000016752060 527540344 /nfs/dbraw/zinc/54/03/44/527540344.db2.gz ZBCWDCGLGKVERF-AFUMVMLFSA-N 0 0 432.480 5.353 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013569348 527553961 /nfs/dbraw/zinc/55/39/61/527553961.db2.gz NJBKABMZUCSEPZ-FQRUVTKNSA-N 0 0 448.526 5.240 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2 ZINC000003257389 527554203 /nfs/dbraw/zinc/55/42/03/527554203.db2.gz LIJJATIVOPBHET-HSZRJFAPSA-N 0 0 433.467 5.074 50 30 IKEARN Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2 ZINC000003257804 527564496 /nfs/dbraw/zinc/56/44/96/527564496.db2.gz ISIRFAZESBKVDP-DEOSSOPVSA-N 0 0 447.494 5.383 50 30 IKEARN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000002177686 527596873 /nfs/dbraw/zinc/59/68/73/527596873.db2.gz CHZLDNRUXDPLCO-ONEGZZNKSA-N 0 0 428.159 6.840 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 ZINC000009445160 527603086 /nfs/dbraw/zinc/60/30/86/527603086.db2.gz PJKJCKCWVXOKPG-RMKNXTFCSA-N 0 0 432.657 6.167 50 30 IKEARN O=C(/C=C/c1ccc(/C=C\C(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21 ZINC000090624121 527604884 /nfs/dbraw/zinc/60/48/84/527604884.db2.gz FRJUSNJBEHTICZ-OLAQIDGISA-N 0 0 438.526 7.785 50 30 IKEARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)OC/C(=N/c1ccccc1)Nc1ccccc1 ZINC000012546895 527606593 /nfs/dbraw/zinc/60/65/93/527606593.db2.gz SQQTYZPTOSEOCV-WYMLVPIESA-N 0 0 425.315 6.392 50 30 IKEARN O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1cccc(OC(F)F)c1 ZINC000036611170 527606823 /nfs/dbraw/zinc/60/68/23/527606823.db2.gz ZPQAZEVZUSWPEK-VOTSOKGWSA-N 0 0 442.311 5.913 50 30 IKEARN O=C(/C=C/c1ccc(F)cc1)c1cc(F)ccc1OC(=O)c1ccccc1Br ZINC000009019303 527610170 /nfs/dbraw/zinc/61/01/70/527610170.db2.gz UJZDDPQELGNSHH-YRNVUSSQSA-N 0 0 443.243 5.843 50 30 IKEARN O=C(/C=C/c1ccc(F)cc1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000012311324 527610252 /nfs/dbraw/zinc/61/02/52/527610252.db2.gz PZJIBQIIMGYKNA-MDWZMJQESA-N 0 0 448.291 5.993 50 30 IKEARN O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1 ZINC000020509959 527612502 /nfs/dbraw/zinc/61/25/02/527612502.db2.gz YGDXBCKMROYHHD-WVEOUUQPSA-N 0 0 428.535 6.938 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cc(C)ccc1C ZINC000032972318 527627496 /nfs/dbraw/zinc/62/74/96/527627496.db2.gz PITBOYUQAJHIRV-UHFFFAOYSA-N 0 0 445.611 5.349 50 30 IKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000013653621 527633711 /nfs/dbraw/zinc/63/37/11/527633711.db2.gz UZGXCFBVMMFFJD-HHLUSPNUSA-N 0 0 447.284 5.684 50 30 IKEARN O=C(/C=C/c1ccccc1OC(=O)c1cccnc1N1CCCC1)c1cc2ccccc2o1 ZINC000013097821 527634904 /nfs/dbraw/zinc/63/49/04/527634904.db2.gz IMJOPYVSPNSOKG-BUHFOSPRSA-N 0 0 438.483 5.543 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1 ZINC000012564696 527646758 /nfs/dbraw/zinc/64/67/58/527646758.db2.gz OTBCYVXLJLACDT-DTQAZKPQSA-N 0 0 429.317 6.198 50 30 IKEARN O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765575 527653968 /nfs/dbraw/zinc/65/39/68/527653968.db2.gz FXBUEFUQARJESE-YVMONPNESA-N 0 0 446.305 6.125 50 30 IKEARN O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000033580919 527656802 /nfs/dbraw/zinc/65/68/02/527656802.db2.gz ATUJQIZTTRXGNN-RAXLEYEMSA-N 0 0 438.376 5.454 50 30 IKEARN FC(F)(F)C1CCN(c2ncc(/C=N/OCc3ccc(Cl)cc3Cl)s2)CC1 ZINC000263640100 527664230 /nfs/dbraw/zinc/66/42/30/527664230.db2.gz XQUARUKPTMGUGM-PGGKNCGUSA-N 0 0 438.302 5.779 50 30 IKEARN FC(F)(F)c1ccc(Cl)c(NC(=S)NN=C2CCCCCCCCCCC2)c1 ZINC000012659536 527682756 /nfs/dbraw/zinc/68/27/56/527682756.db2.gz GWZGXPKXKQYIFQ-UHFFFAOYSA-N 0 0 433.971 7.306 50 30 IKEARN FC(F)(F)c1cnc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000022996428 527689783 /nfs/dbraw/zinc/68/97/83/527689783.db2.gz VPGFVFWLYFQUCD-YPXUMCKCSA-N 0 0 441.236 6.750 50 30 IKEARN FC(F)=C(F)OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095676686 527691507 /nfs/dbraw/zinc/69/15/07/527691507.db2.gz RJBJXVAPYONTFE-BYPYZUCNSA-N 0 0 432.054 5.666 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 ZINC000000630729 555514602 /nfs/dbraw/zinc/51/46/02/555514602.db2.gz HEGVWABNIAPBMT-DWXRJYCRSA-N 0 0 430.935 6.328 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccc1F ZINC000000649724 555522438 /nfs/dbraw/zinc/52/24/38/555522438.db2.gz KGDSYAUFSTYSMI-SANMLTNESA-N 0 0 440.518 6.283 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000654754 555524490 /nfs/dbraw/zinc/52/44/90/555524490.db2.gz ZFLJUPDRWUJWEP-XMMPIXPASA-N 0 0 437.495 5.007 50 30 IKEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000000665912 555528316 /nfs/dbraw/zinc/52/83/16/555528316.db2.gz UQZMUUKUXWTSFO-UHFFFAOYSA-N 0 0 443.886 5.652 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000667217 555529211 /nfs/dbraw/zinc/52/92/11/555529211.db2.gz UGKPFACXVQUBKU-UHFFFAOYSA-N 0 0 429.944 5.027 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O[C@H](C)CC ZINC000000671957 555531553 /nfs/dbraw/zinc/53/15/53/555531553.db2.gz BELHMXOTTYPSEN-CLYVBNDRSA-N 0 0 446.591 6.417 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O[C@@H](C)CC ZINC000000671965 555531575 /nfs/dbraw/zinc/53/15/75/555531575.db2.gz BELHMXOTTYPSEN-XRHLQHRESA-N 0 0 446.591 6.417 50 30 IKEARN COc1cc(/C=N/c2cccc3c(/N=C/c4ccc(O)c(OC)c4)cccc23)ccc1O ZINC000000671644 555531650 /nfs/dbraw/zinc/53/16/50/555531650.db2.gz LVVWFLKLTXIKCR-DPCVLPDWSA-N 0 0 426.472 5.769 50 30 IKEARN O=S(=O)(c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1)N1CCCCC1 ZINC000000672172 555531946 /nfs/dbraw/zinc/53/19/46/555531946.db2.gz UVGNBCNZANJVBV-LGUFXXKBSA-N 0 0 434.561 5.191 50 30 IKEARN Cc1c(/N=C/c2nn(-c3ccccc3)cc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000675873 555534667 /nfs/dbraw/zinc/53/46/67/555534667.db2.gz CGVSUPFFPUQZOJ-MTDXEUNCSA-N 0 0 433.515 5.088 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc32)cc1 ZINC000000681729 555537410 /nfs/dbraw/zinc/53/74/10/555537410.db2.gz SGENHWCBNUIGCF-XDBZFTIUSA-N 0 0 435.527 6.156 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1 ZINC000000681734 555537454 /nfs/dbraw/zinc/53/74/54/555537454.db2.gz MNMDEHXZKFJNTK-GKVSMKOHSA-N 0 0 443.459 5.108 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000000681882 555537762 /nfs/dbraw/zinc/53/77/62/555537762.db2.gz FZOQITOWFUELIN-MNNSJKJDSA-N 0 0 438.571 6.798 50 30 IKEARN CC(C)Oc1ccccc1[C@@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1 ZINC000000684836 555539498 /nfs/dbraw/zinc/53/94/98/555539498.db2.gz NIKVNJYTYCJLII-DEOSSOPVSA-N 0 0 428.557 5.287 50 30 IKEARN CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000000688885 555541312 /nfs/dbraw/zinc/54/13/12/555541312.db2.gz LKOYHHDDYIPSGE-RUZDIDTESA-N 0 0 432.564 5.884 50 30 IKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000000702367 555542817 /nfs/dbraw/zinc/54/28/17/555542817.db2.gz SFXMYOXEFIRAGI-RUZDIDTESA-N 0 0 441.527 5.215 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000000708838 555545835 /nfs/dbraw/zinc/54/58/35/555545835.db2.gz LBSCKXDYZKHMGB-MRDQGFSESA-N 0 0 444.918 6.048 50 30 IKEARN COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000709525 555546488 /nfs/dbraw/zinc/54/64/88/555546488.db2.gz GCVGKBWXCHEOJV-DNOBIOAJSA-N 0 0 426.516 5.683 50 30 IKEARN COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000709526 555546506 /nfs/dbraw/zinc/54/65/06/555546506.db2.gz GCVGKBWXCHEOJV-MYUZEXMDSA-N 0 0 426.516 5.683 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000709479 555546553 /nfs/dbraw/zinc/54/65/53/555546553.db2.gz RATACYVCUKXARC-RUZDIDTESA-N 0 0 444.531 5.570 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000709965 555546815 /nfs/dbraw/zinc/54/68/15/555546815.db2.gz HJCKFKPMUDVFJX-CJAUYULYSA-N 0 0 434.461 6.685 50 30 IKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000000710622 555547148 /nfs/dbraw/zinc/54/71/48/555547148.db2.gz DREGCMXRRNUOIK-ZUOKHONESA-N 0 0 446.385 5.395 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000000710623 555547164 /nfs/dbraw/zinc/54/71/64/555547164.db2.gz DREGCMXRRNUOIK-RNODOKPDSA-N 0 0 446.385 5.395 50 30 IKEARN O=c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)oc2ccccc12 ZINC000000711581 555547513 /nfs/dbraw/zinc/54/75/13/555547513.db2.gz KBXAJVANAVAWLX-WZQKQDCOSA-N 0 0 440.524 5.834 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000714063 555547981 /nfs/dbraw/zinc/54/79/81/555547981.db2.gz PRXHHVROIKDXSY-HHHXNRCGSA-N 0 0 427.544 6.557 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000714603 555548195 /nfs/dbraw/zinc/54/81/95/555548195.db2.gz SKKUHPMYBVGVIM-AREMUKBSSA-N 0 0 444.575 5.244 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000716972 555548865 /nfs/dbraw/zinc/54/88/65/555548865.db2.gz HVUWVUHNSBZCNF-QHCPKHFHSA-N 0 0 437.486 5.312 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000717192 555548877 /nfs/dbraw/zinc/54/88/77/555548877.db2.gz FOXLSVCGCITMAQ-JLTOFOAXSA-N 0 0 447.478 5.302 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000717022 555548891 /nfs/dbraw/zinc/54/88/91/555548891.db2.gz WQWIPDQACZGAQA-XMMPIXPASA-N 0 0 433.523 5.216 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000717672 555549171 /nfs/dbraw/zinc/54/91/71/555549171.db2.gz NVSMXBWCDAZHLR-HJPURHCSSA-N 0 0 439.552 5.448 50 30 IKEARN COc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000000717710 555549191 /nfs/dbraw/zinc/54/91/91/555549191.db2.gz DQROHLGPGSBAHS-QHCPKHFHSA-N 0 0 447.962 6.711 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1O ZINC000000718069 555549454 /nfs/dbraw/zinc/54/94/54/555549454.db2.gz LEWZYXRJQLNBGU-QMTYFTJSSA-N 0 0 446.934 6.034 50 30 biogenic,in-vitro IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1O ZINC000000718070 555549473 /nfs/dbraw/zinc/54/94/73/555549473.db2.gz LEWZYXRJQLNBGU-YHAMSUFESA-N 0 0 446.934 6.034 50 30 biogenic,in-vitro IKEARN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000720199 555549750 /nfs/dbraw/zinc/54/97/50/555549750.db2.gz WVEJDHWOZRMKDJ-JOCHJYFZSA-N 0 0 426.944 5.893 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000721888 555550480 /nfs/dbraw/zinc/55/04/80/555550480.db2.gz JHZIQNXEODGTCH-JRPXNJEYSA-N 0 0 447.534 6.621 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000721887 555550525 /nfs/dbraw/zinc/55/05/25/555550525.db2.gz JHZIQNXEODGTCH-IIMAJNMQSA-N 0 0 447.534 6.621 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781300 555555165 /nfs/dbraw/zinc/55/51/65/555555165.db2.gz CYRJXPPPAOQGQD-GAJHUEQPSA-N 0 0 439.552 5.448 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781284 555555180 /nfs/dbraw/zinc/55/51/80/555555180.db2.gz VNTBBYYGWZQXCW-GAJHUEQPSA-N 0 0 437.561 5.015 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(N2CCOCC2)cc1 ZINC000000809297 555560254 /nfs/dbraw/zinc/56/02/54/555560254.db2.gz QZRZMKCAVUGUHH-NDEPHWFRSA-N 0 0 438.571 5.986 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000811223 555560528 /nfs/dbraw/zinc/56/05/28/555560528.db2.gz ZYVPCBFLZWXWBQ-QFQXNSOFSA-N 0 0 444.575 5.066 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1OC ZINC000000812849 555560888 /nfs/dbraw/zinc/56/08/88/555560888.db2.gz KEJCZAYCFMYQRW-CBZJRKILSA-N 0 0 444.506 5.822 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000812933 555561199 /nfs/dbraw/zinc/56/11/99/555561199.db2.gz OSQNVTKXOKFBHH-IVCQMTBJSA-N 0 0 446.934 6.034 50 30 in-vitro IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O ZINC000000815827 555562139 /nfs/dbraw/zinc/56/21/39/555562139.db2.gz MMOUQZPPZBBYDD-XHCCPWGMSA-N 0 0 426.516 5.689 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000000815913 555562465 /nfs/dbraw/zinc/56/24/65/555562465.db2.gz AVDNCSPUPQTZCG-MMTVBGGISA-N 0 0 440.543 5.992 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000000815916 555562504 /nfs/dbraw/zinc/56/25/04/555562504.db2.gz JNAAZPVXVYVNER-SLIIYKDFSA-N 0 0 431.319 5.224 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)o1 ZINC000000821075 555563875 /nfs/dbraw/zinc/56/38/75/555563875.db2.gz BMNWLYWOLFZPFA-HRFSGMKKSA-N 0 0 445.559 5.826 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Br)C2=C(CC(C)(C)CC2=O)N1 ZINC000000823441 555564545 /nfs/dbraw/zinc/56/45/45/555564545.db2.gz KJYBMQWDXCWJHZ-IBGZPJMESA-N 0 0 432.358 5.005 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000000856620 555571346 /nfs/dbraw/zinc/57/13/46/555571346.db2.gz GXIDLLVAGNKJCN-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000861011 555571951 /nfs/dbraw/zinc/57/19/51/555571951.db2.gz CCILKLKMVFVRRU-JOCHJYFZSA-N 0 0 425.916 6.087 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000000861113 555572353 /nfs/dbraw/zinc/57/23/53/555572353.db2.gz MBGAFOVYUZEWKC-BCHFMIIMSA-N 0 0 425.488 5.883 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000000861348 555572754 /nfs/dbraw/zinc/57/27/54/555572754.db2.gz IXPGNTPEPUTNDM-QYBDOPJKSA-N 0 0 430.935 6.328 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000864951 555573426 /nfs/dbraw/zinc/57/34/26/555573426.db2.gz DRRRJIXDFCOCNZ-VWLOTQADSA-N 0 0 426.516 6.041 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccccc1Cl)N2 ZINC000000864943 555573575 /nfs/dbraw/zinc/57/35/75/555573575.db2.gz AHGQKEJUFHKILQ-RUZDIDTESA-N 0 0 428.919 6.157 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1 ZINC000000872434 555575687 /nfs/dbraw/zinc/57/56/87/555575687.db2.gz IGNKQYZXOGECOQ-UZTOHYMASA-N 0 0 426.516 5.899 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 ZINC000000883118 555578142 /nfs/dbraw/zinc/57/81/42/555578142.db2.gz DVDPCBUPISECOT-YHAMSUFESA-N 0 0 432.470 5.953 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1OC ZINC000000883393 555578304 /nfs/dbraw/zinc/57/83/04/555578304.db2.gz BXJTUGWLCUHXTK-HMILPKGGSA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000000883398 555578388 /nfs/dbraw/zinc/57/83/88/555578388.db2.gz RVKAPMSAJHNMDA-PUAOIOHZSA-N 0 0 432.545 5.745 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)ON=C3CCCCC3)n2)cc1 ZINC000000890749 555579799 /nfs/dbraw/zinc/57/97/99/555579799.db2.gz JURRNFANNQOYKO-UHFFFAOYSA-N 0 0 439.459 5.126 50 30 IKEARN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1O ZINC000000973838 555592054 /nfs/dbraw/zinc/59/20/54/555592054.db2.gz HJPORBLNAOFOCU-WYMPLXKRSA-N 0 0 438.281 5.507 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)s1 ZINC000000994456 555598105 /nfs/dbraw/zinc/59/81/05/555598105.db2.gz MEOAIUDWLHOVHU-FQEVSTJZSA-N 0 0 445.382 5.674 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(C)C)cc1 ZINC000001001567 555600188 /nfs/dbraw/zinc/60/01/88/555600188.db2.gz NIHKSWNBESYGTQ-PQHDRGKASA-N 0 0 449.620 6.080 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(Br)ccc3O)C(=O)N2CC)cc1 ZINC000001011974 555601996 /nfs/dbraw/zinc/60/19/96/555601996.db2.gz CILVFJKZIRTHOJ-CFDZAGTRSA-N 0 0 447.354 5.177 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)sc1C ZINC000001052635 555613537 /nfs/dbraw/zinc/61/35/37/555613537.db2.gz WJIPRCZVZIFPFJ-FQEVSTJZSA-N 0 0 430.485 5.289 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccs1 ZINC000001066836 555618708 /nfs/dbraw/zinc/61/87/08/555618708.db2.gz SEFUVLYZRQMWHS-QRQCRPRQSA-N 0 0 427.953 5.326 50 30 IKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1F ZINC000001074528 555623119 /nfs/dbraw/zinc/62/31/19/555623119.db2.gz XDKMKSMRMGPQFU-SSOJOUAXSA-N 0 0 449.522 5.148 50 30 IKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001077205 555624588 /nfs/dbraw/zinc/62/45/88/555624588.db2.gz RBQJCXIQDJZMJG-CCLHPLFOSA-N 0 0 426.585 6.696 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000001077009 555624625 /nfs/dbraw/zinc/62/46/25/555624625.db2.gz QEBMURGLDOWRRC-LFVRLGFBSA-N 0 0 441.383 7.034 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Br)cc1)Nc1ccccc1N2 ZINC000001082744 555626249 /nfs/dbraw/zinc/62/62/49/555626249.db2.gz UXDRVWWJZZMUSG-CJAUYULYSA-N 0 0 445.360 6.429 50 30 IKEARN N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000001097402 555628170 /nfs/dbraw/zinc/62/81/70/555628170.db2.gz GVTDKINTTGOSHT-AJBULDERSA-N 0 0 447.538 5.878 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1OC ZINC000001097759 555628181 /nfs/dbraw/zinc/62/81/81/555628181.db2.gz ONWRRUVUXMKAKW-SSOJOUAXSA-N 0 0 432.545 5.745 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107177 555629686 /nfs/dbraw/zinc/62/96/86/555629686.db2.gz KVBFJHWUHYHGJR-GKVSMKOHSA-N 0 0 445.906 6.228 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001123522 555639039 /nfs/dbraw/zinc/63/90/39/555639039.db2.gz BHOVGMRNGZGRNQ-SIBVEZHUSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000001123571 555639148 /nfs/dbraw/zinc/63/91/48/555639148.db2.gz CJXMQLAXIVLDAD-DWXRJYCRSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1cccc(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3cccnc3)C3=C2CCCC3=O)c1 ZINC000001124482 555640019 /nfs/dbraw/zinc/64/00/19/555640019.db2.gz FSEAJXXMNHSWOK-XMMPIXPASA-N 0 0 435.527 5.054 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000001127612 555641994 /nfs/dbraw/zinc/64/19/94/555641994.db2.gz ALEVSAGTMVIFJA-RBZFPXEDSA-N 0 0 447.478 5.302 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000001129667 555643652 /nfs/dbraw/zinc/64/36/52/555643652.db2.gz QMXFSNDVGFEAOF-IQGLISFBSA-N 0 0 449.522 5.656 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Br)c1 ZINC000001158179 555660157 /nfs/dbraw/zinc/66/01/57/555660157.db2.gz PGTIBMBTHRDQCM-UHFFFAOYSA-N 0 0 445.353 5.555 50 30 IKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000001170840 555666435 /nfs/dbraw/zinc/66/64/35/555666435.db2.gz BVOIPXPHYXLSCY-QMTYFTJSSA-N 0 0 444.918 6.048 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(Br)cc1 ZINC000001173373 555668151 /nfs/dbraw/zinc/66/81/51/555668151.db2.gz BICWBKMWXBHNKD-HSZRJFAPSA-N 0 0 433.349 6.307 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000001177711 555670240 /nfs/dbraw/zinc/67/02/40/555670240.db2.gz QSNGWVCACHVZBJ-NRFANRHFSA-N 0 0 445.321 5.739 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001183785 555673086 /nfs/dbraw/zinc/67/30/86/555673086.db2.gz ZTEHWVZATXHWEJ-QRQCRPRQSA-N 0 0 441.980 5.715 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001184509 555673407 /nfs/dbraw/zinc/67/34/07/555673407.db2.gz XWIKZAASTVWJOU-HRAATJIYSA-N 0 0 427.591 5.370 50 30 IKEARN O=S(=O)(/N=C(/SC(=S)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000001184433 555673412 /nfs/dbraw/zinc/67/34/12/555673412.db2.gz FGCAWINSZOLPHC-ZBJSNUHESA-N 0 0 431.991 5.584 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000001185598 555673971 /nfs/dbraw/zinc/67/39/71/555673971.db2.gz FXWKVXXIUHSQOH-MHZLTWQESA-N 0 0 438.527 5.902 50 30 IKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000001188162 555674983 /nfs/dbraw/zinc/67/49/83/555674983.db2.gz UVUVLJWDSBSJMD-UHFFFAOYSA-N 0 0 425.481 5.004 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000001201657 555678739 /nfs/dbraw/zinc/67/87/39/555678739.db2.gz PWYJPRWOFILLSA-HSZRJFAPSA-N 0 0 437.923 5.060 50 30 IKEARN Cn1cccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)Cc1ccccc1 ZINC000001201649 555678780 /nfs/dbraw/zinc/67/87/80/555678780.db2.gz LSQGSDDXGORWJA-HHHXNRCGSA-N 0 0 439.559 5.411 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000001201661 555678808 /nfs/dbraw/zinc/67/88/08/555678808.db2.gz PWYJPRWOFILLSA-QHCPKHFHSA-N 0 0 437.923 5.060 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001202578 555679036 /nfs/dbraw/zinc/67/90/36/555679036.db2.gz VAHSKKMELNMDEV-CLOONOSVSA-N 0 0 433.523 5.387 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000001204581 555679933 /nfs/dbraw/zinc/67/99/33/555679933.db2.gz OFFYFBDLLLMXKK-OPAMFIHVSA-N 0 0 425.887 5.014 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000001213061 555682765 /nfs/dbraw/zinc/68/27/65/555682765.db2.gz WHXBHKJHHJDCRF-SANMLTNESA-N 0 0 445.559 5.433 50 30 IKEARN CCOc1ccccc1NC(=O)CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000001213746 555683056 /nfs/dbraw/zinc/68/30/56/555683056.db2.gz LIPNXQLBCIZNOH-VQAHOFKPSA-N 0 0 445.544 5.250 50 30 IKEARN CCOc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(OCC)cc2)cc1 ZINC000001214481 555683374 /nfs/dbraw/zinc/68/33/74/555683374.db2.gz KJDVQKRWGAXFOM-WPWMEQJKSA-N 0 0 442.519 5.295 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000001220245 555685745 /nfs/dbraw/zinc/68/57/45/555685745.db2.gz YLQHGMDPTJHSMS-HHHXNRCGSA-N 0 0 437.539 5.594 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3cccs3)C12 ZINC000001283605 555689079 /nfs/dbraw/zinc/68/90/79/555689079.db2.gz LYLKXALWDMFGQR-GOSISDBHSA-N 0 0 428.970 5.307 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001302901 555689337 /nfs/dbraw/zinc/68/93/37/555689337.db2.gz UXKCHHHHPPYGOV-HSZRJFAPSA-N 0 0 433.508 5.394 50 30 IKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000001414731 555694884 /nfs/dbraw/zinc/69/48/84/555694884.db2.gz MVMVOLLSAFLFRI-DEOSSOPVSA-N 0 0 440.474 5.128 50 30 IKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000001434745 555696783 /nfs/dbraw/zinc/69/67/83/555696783.db2.gz CAMUSSBJXLSYGW-DWXRJYCRSA-N 0 0 441.487 5.583 50 30 IKEARN CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001434759 555696829 /nfs/dbraw/zinc/69/68/29/555696829.db2.gz XTQWHRDCJCPYIW-LYZGTLIUSA-N 0 0 438.527 5.900 50 30 IKEARN CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001434758 555696854 /nfs/dbraw/zinc/69/68/54/555696854.db2.gz XTQWHRDCJCPYIW-RBTNQOKQSA-N 0 0 438.527 5.900 50 30 IKEARN CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001434761 555696873 /nfs/dbraw/zinc/69/68/73/555696873.db2.gz XTQWHRDCJCPYIW-PIKZIKFNSA-N 0 0 438.527 5.900 50 30 IKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)c1 ZINC000001434808 555696877 /nfs/dbraw/zinc/69/68/77/555696877.db2.gz UEJVMKHATLIVQX-NGOKVRLYSA-N 0 0 440.543 6.073 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001437505 555697172 /nfs/dbraw/zinc/69/71/72/555697172.db2.gz FZWFXQJDLNGVJB-HRFSGMKKSA-N 0 0 439.515 6.191 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001437502 555697197 /nfs/dbraw/zinc/69/71/97/555697197.db2.gz FZWFXQJDLNGVJB-CCLHPLFOSA-N 0 0 439.515 6.191 50 30 IKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2 ZINC000001445918 555699105 /nfs/dbraw/zinc/69/91/05/555699105.db2.gz ZFRJQLJGTOIGFV-DWXRJYCRSA-N 0 0 435.479 6.120 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001456568 555699994 /nfs/dbraw/zinc/69/99/94/555699994.db2.gz NFVGQWMKSVJSOC-SBUREZEXSA-N 0 0 437.561 5.015 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000001457560 555700312 /nfs/dbraw/zinc/70/03/12/555700312.db2.gz SZKORZTXWSYTIG-XHCCPWGMSA-N 0 0 428.507 6.122 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000001457559 555700329 /nfs/dbraw/zinc/70/03/29/555700329.db2.gz SZKORZTXWSYTIG-WINIVTDRSA-N 0 0 428.507 6.122 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001467861 555701105 /nfs/dbraw/zinc/70/11/05/555701105.db2.gz KGWJKHNQEUXZHS-QYBDOPJKSA-N 0 0 441.487 5.583 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001467862 555701148 /nfs/dbraw/zinc/70/11/48/555701148.db2.gz KGWJKHNQEUXZHS-DWXRJYCRSA-N 0 0 441.487 5.583 50 30 IKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000001881429 555722233 /nfs/dbraw/zinc/72/22/33/555722233.db2.gz QYLNPPAWMSGDOW-VULFUBBASA-N 0 0 443.300 6.867 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000002030973 555728010 /nfs/dbraw/zinc/72/80/10/555728010.db2.gz QXWKCICSFIXFJP-QHCPKHFHSA-N 0 0 441.568 5.041 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000002055226 555730350 /nfs/dbraw/zinc/73/03/50/555730350.db2.gz LXLRCOUHSWCKQG-QFIPXVFZSA-N 0 0 427.972 5.820 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000002055330 555730585 /nfs/dbraw/zinc/73/05/85/555730585.db2.gz DJCKEZFRDIUEGL-HSZRJFAPSA-N 0 0 441.568 5.128 50 30 IKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cccc(Br)c1 ZINC000002060049 555731493 /nfs/dbraw/zinc/73/14/93/555731493.db2.gz DREXLKILYVSAOE-MOSHPQCFSA-N 0 0 437.314 5.998 50 30 IKEARN CCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000002061962 555732169 /nfs/dbraw/zinc/73/21/69/555732169.db2.gz ZZOJAPRQVPDRJP-UHFFFAOYSA-N 0 0 428.532 7.096 50 30 IKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000002062827 555732493 /nfs/dbraw/zinc/73/24/93/555732493.db2.gz JVJGWWMUPHFAJO-UHFFFAOYSA-N 0 0 448.346 6.311 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000002063670 555732783 /nfs/dbraw/zinc/73/27/83/555732783.db2.gz YSOPWYFBRTXKDH-IBGZPJMESA-N 0 0 432.358 5.006 50 30 IKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(-c5cccc(Cl)c5)o4)cc3)sc2c1 ZINC000002067482 555733688 /nfs/dbraw/zinc/73/36/88/555733688.db2.gz BWVWUVLRNZZABV-JFLMPSFJSA-N 0 0 428.944 7.936 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1CC ZINC000002081729 555738361 /nfs/dbraw/zinc/73/83/61/555738361.db2.gz FSAUDCMJXZUFGS-NMRWETQTSA-N 0 0 430.548 6.759 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002081806 555738414 /nfs/dbraw/zinc/73/84/14/555738414.db2.gz SRZZRVYDVLHOKV-BGTPXQLESA-N 0 0 440.612 7.237 50 30 IKEARN COc1ccccc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000002083875 555739174 /nfs/dbraw/zinc/73/91/74/555739174.db2.gz BHJMIYJHPKGHJO-SIFZUIMESA-N 0 0 442.584 6.737 50 30 IKEARN CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000002092100 555741160 /nfs/dbraw/zinc/74/11/60/555741160.db2.gz QTYNXWDCVBVOKC-ZXVVBBHZSA-N 0 0 446.620 6.612 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC ZINC000002092573 555741426 /nfs/dbraw/zinc/74/14/26/555741426.db2.gz LRUUZPFPIVDIFJ-LMTJQJACSA-N 0 0 444.556 6.129 50 30 IKEARN Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1 ZINC000002113998 555744756 /nfs/dbraw/zinc/74/47/56/555744756.db2.gz QOFSONJZHICVCA-ARDTVSTASA-N 0 0 432.614 7.099 50 30 IKEARN COc1ccccc1CC/N=C/c1ccnc(SCc2ccc(Cl)cc2Cl)n1 ZINC000002142846 555748440 /nfs/dbraw/zinc/74/84/40/555748440.db2.gz LWSQGRXLEFAXET-ZMOGYAJESA-N 0 0 432.376 5.746 50 30 IKEARN O=C1c2ccccc2C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C1c1ccccc1 ZINC000002157427 555750639 /nfs/dbraw/zinc/75/06/39/555750639.db2.gz WBVKJESBFUNUAG-UHFFFAOYSA-N 0 0 433.351 6.901 50 30 IKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)cc(C)c3NC(C)(C)C2=S)S1 ZINC000002183596 555754574 /nfs/dbraw/zinc/75/45/74/555754574.db2.gz KVPVOSZTHPIWLM-PTGBLXJZSA-N 0 0 437.655 6.984 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(OCc4ccccc4)cc3)C12 ZINC000002291770 555765915 /nfs/dbraw/zinc/76/59/15/555765915.db2.gz WEEQQYKTLFDLGJ-LJAQVGFWSA-N 0 0 447.559 7.132 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@H](C)CCC3 ZINC000002298462 555766642 /nfs/dbraw/zinc/76/66/42/555766642.db2.gz KRDBRXHSUNQNGH-QGZVFWFLSA-N 0 0 426.651 6.950 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c2ccccc2cc2ccccc21 ZINC000002346002 555770544 /nfs/dbraw/zinc/77/05/44/555770544.db2.gz NTOXDXURZCUULB-LGJNPRDNSA-N 0 0 449.366 6.729 50 30 IKEARN S=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)Nc1cccc(Cl)c1 ZINC000002542628 555786756 /nfs/dbraw/zinc/78/67/56/555786756.db2.gz FKNVATUTZBGTCZ-ZMOGYAJESA-N 0 0 430.360 5.893 50 30 IKEARN COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000002549047 555786956 /nfs/dbraw/zinc/78/69/56/555786956.db2.gz BDJDWCPJUGITMR-KAYWLYCHSA-N 0 0 439.942 7.166 50 30 IKEARN O=C1/C(=C/c2cccc(Br)c2)CCC/C1=C/c1cccc(Br)c1 ZINC000002549087 555787293 /nfs/dbraw/zinc/78/72/93/555787293.db2.gz AHJCUJSTWXHHHI-VRNBXGKJSA-N 0 0 432.155 6.432 50 30 IKEARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccccc1OC(F)F ZINC000002679266 555798086 /nfs/dbraw/zinc/79/80/86/555798086.db2.gz KAVQFCLVDJOZRK-YCPBAFNGSA-N 0 0 431.851 5.262 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F ZINC000002727243 555803180 /nfs/dbraw/zinc/80/31/80/555803180.db2.gz MYDTUXQZYKGFBP-GKVSMKOHSA-N 0 0 449.522 5.149 50 30 IKEARN Cc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000002744932 555808607 /nfs/dbraw/zinc/80/86/07/555808607.db2.gz FQVLSWDMJUPTCT-QIFMOKMOSA-N 0 0 440.612 7.346 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002795856 555822128 /nfs/dbraw/zinc/82/21/28/555822128.db2.gz CGOHDXAYDRPWCW-FQEVSTJZSA-N 0 0 436.379 5.941 50 30 IKEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002796778 555822436 /nfs/dbraw/zinc/82/24/36/555822436.db2.gz QELPQVZNPVKPDI-OAQYLSRUSA-N 0 0 446.513 5.322 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc3ccccc32)C2=C(CC(C)(C)CC2=O)N1 ZINC000002801351 555824571 /nfs/dbraw/zinc/82/45/71/555824571.db2.gz KZZYBQRJDRGBDO-AREMUKBSSA-N 0 0 443.587 6.320 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2F)n1 ZINC000034713171 555826334 /nfs/dbraw/zinc/82/63/34/555826334.db2.gz CNRQZVIFNVSODR-UHFFFAOYSA-N 0 0 436.430 5.463 50 30 IKEARN COC(=O)c1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000002807285 555826637 /nfs/dbraw/zinc/82/66/37/555826637.db2.gz VMWGBDZMGOXHLP-JXKYSLRESA-N 0 0 442.540 5.899 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl ZINC000002816358 555828739 /nfs/dbraw/zinc/82/87/39/555828739.db2.gz HDVSUEUVHKWKQS-ASIDMNOUSA-N 0 0 443.246 6.311 50 30 IKEARN N#C[C@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000002835463 555832596 /nfs/dbraw/zinc/83/25/96/555832596.db2.gz JEFKSJFYIBGQKO-MUUNZHRXSA-N 0 0 432.523 6.173 50 30 IKEARN COc1ccc2ccccc2c1/C=N/c1ccc(/N=C/c2c(OC)ccc3ccccc32)cc1 ZINC000002842420 555836377 /nfs/dbraw/zinc/83/63/77/555836377.db2.gz HHYXHLZMJNQUBY-GKTLAHRSSA-N 0 0 444.534 7.511 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000002868469 555848444 /nfs/dbraw/zinc/84/84/44/555848444.db2.gz KZRBESXBLONNEJ-VWLOTQADSA-N 0 0 431.532 5.185 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000002868527 555848692 /nfs/dbraw/zinc/84/86/92/555848692.db2.gz AHKWGLVSLPVSDA-VWLOTQADSA-N 0 0 437.580 5.708 50 30 IKEARN CC(=O)c1cccc(NC2=C(Cl)C(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1 ZINC000002896517 555860221 /nfs/dbraw/zinc/86/02/21/555860221.db2.gz HTPNPHJDDXMDKA-UHFFFAOYSA-N 0 0 435.521 6.719 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 ZINC000002894309 555860277 /nfs/dbraw/zinc/86/02/77/555860277.db2.gz MZFAGHRXVPACTI-HXUWFJFHSA-N 0 0 432.358 5.150 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCC#N ZINC000002912776 555862359 /nfs/dbraw/zinc/86/23/59/555862359.db2.gz ITBXDBVCFSZDFC-MHZLTWQESA-N 0 0 438.527 6.060 50 30 IKEARN O=C(OC(=CNc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000003106372 555887703 /nfs/dbraw/zinc/88/77/03/555887703.db2.gz YRROTLVBHHAGRH-MOSHPQCFSA-N 0 0 430.262 6.126 50 30 IKEARN N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000003119171 555888757 /nfs/dbraw/zinc/88/87/57/555888757.db2.gz XAYVTSHJSWMCJJ-UHFFFAOYSA-N 0 0 426.238 5.867 50 30 IKEARN O=C(NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138649 555891093 /nfs/dbraw/zinc/89/10/93/555891093.db2.gz RQOGRVXZVYCKRQ-UHFFFAOYSA-N 0 0 430.270 5.368 50 30 IKEARN O=C(NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138648 555891111 /nfs/dbraw/zinc/89/11/11/555891111.db2.gz XDUXMXIVFQKXSH-UHFFFAOYSA-N 0 0 430.270 5.368 50 30 IKEARN O=C1c2cc(Cl)ccc2SC/C1=C\c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000003139107 555891482 /nfs/dbraw/zinc/89/14/82/555891482.db2.gz NSHJFOLWROMZSD-FMIVXFBMSA-N 0 0 436.838 6.871 50 30 IKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003147782 555891999 /nfs/dbraw/zinc/89/19/99/555891999.db2.gz RXEVFQIQBAFKFA-OAHLLOKOSA-N 0 0 444.628 6.034 50 30 IKEARN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccccc1OC1CCCC1 ZINC000034771969 555892672 /nfs/dbraw/zinc/89/26/72/555892672.db2.gz WGTKSOJNPQSDIT-CPNJWEJPSA-N 0 0 432.467 5.918 50 30 IKEARN CSc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(SC)cc4)cccc23)cc1 ZINC000003162081 555893006 /nfs/dbraw/zinc/89/30/06/555893006.db2.gz BXEPJMKQNNEUTF-XUIWWLCJSA-N 0 0 426.610 7.785 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000003772462 555946693 /nfs/dbraw/zinc/94/66/93/555946693.db2.gz WFCYVGXXJPBHNY-HHHXNRCGSA-N 0 0 445.607 6.086 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc32)cc1 ZINC000004046889 555955091 /nfs/dbraw/zinc/95/50/91/555955091.db2.gz IBSKXRMGHUTOPQ-JRPXNJEYSA-N 0 0 446.550 6.828 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc32)cc1 ZINC000004046891 555955161 /nfs/dbraw/zinc/95/51/61/555955161.db2.gz IBSKXRMGHUTOPQ-URAOTHONSA-N 0 0 446.550 6.828 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004043998 555955206 /nfs/dbraw/zinc/95/52/06/555955206.db2.gz LPRZIIKGLMNTQR-HFZDXXHNSA-N 0 0 444.575 5.067 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc32)cc1 ZINC000004046890 555955246 /nfs/dbraw/zinc/95/52/46/555955246.db2.gz IBSKXRMGHUTOPQ-IIMAJNMQSA-N 0 0 446.550 6.828 50 30 IKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000004048130 555955589 /nfs/dbraw/zinc/95/55/89/555955589.db2.gz AHURIOZKCVUFMA-DNOBIOAJSA-N 0 0 444.962 6.718 50 30 IKEARN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004060581 555956525 /nfs/dbraw/zinc/95/65/25/555956525.db2.gz WVSUBUTVJZRGPG-HSZRJFAPSA-N 0 0 441.568 5.040 50 30 IKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004060371 555956641 /nfs/dbraw/zinc/95/66/41/555956641.db2.gz KXTDPSFRKVEGGC-RXFWQSSRSA-N 0 0 445.559 5.400 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 ZINC000004064675 555957066 /nfs/dbraw/zinc/95/70/66/555957066.db2.gz GTAYUCKXHAMCRM-DJUQAAIZSA-N 0 0 446.550 6.828 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1 ZINC000004064903 555957120 /nfs/dbraw/zinc/95/71/20/555957120.db2.gz MXFDBTUHCCBVNF-CLYVBNDRSA-N 0 0 426.516 5.683 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004064668 555957125 /nfs/dbraw/zinc/95/71/25/555957125.db2.gz MQCRGRCXXRGJAF-FQRUVTKNSA-N 0 0 445.559 5.400 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000004065633 555957415 /nfs/dbraw/zinc/95/74/15/555957415.db2.gz LNVYGCRQHNZVOG-CRICUBBOSA-N 0 0 435.354 6.973 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1 ZINC000004064918 555957466 /nfs/dbraw/zinc/95/74/66/555957466.db2.gz MXFDBTUHCCBVNF-XRHLQHRESA-N 0 0 426.516 5.683 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 ZINC000004082573 555959347 /nfs/dbraw/zinc/95/93/47/555959347.db2.gz ZVNIIVXBILHVGW-PUAOIOHZSA-N 0 0 435.354 6.973 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2ccc(Br)cc2)C1 ZINC000004199854 555975963 /nfs/dbraw/zinc/97/59/63/555975963.db2.gz IMDVVBCBLQUCTH-FQEVSTJZSA-N 0 0 449.352 5.366 50 30 IKEARN O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1cccc2ccccc21 ZINC000004282330 555982844 /nfs/dbraw/zinc/98/28/44/555982844.db2.gz RSNDSNLEJLNTGV-YZSQISJMSA-N 0 0 431.561 5.190 50 30 IKEARN CC1C/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000004531648 555999883 /nfs/dbraw/zinc/99/98/83/555999883.db2.gz LAHSELCFXWSVDZ-QBJFIXQVSA-N 0 0 430.460 6.081 50 30 IKEARN O=C1/C(=C/c2cccc(Br)c2)CCCC/C1=C\c1cccc(Br)c1 ZINC000004547120 556000487 /nfs/dbraw/zinc/00/04/87/556000487.db2.gz CNSXFVWMPXOOIB-JYFOCSDGSA-N 0 0 446.182 6.822 50 30 IKEARN COc1cc2c(c(OC)c1OC)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794449 556012255 /nfs/dbraw/zinc/01/22/55/556012255.db2.gz QODACFIISUFECI-LJQANCHMSA-N 0 0 427.928 5.566 50 30 IKEARN CCN(CC)c1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1 ZINC000004794501 556012257 /nfs/dbraw/zinc/01/22/57/556012257.db2.gz NLVJCYLQMXCHRM-RUZDIDTESA-N 0 0 432.564 5.505 50 30 IKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000005092535 556032052 /nfs/dbraw/zinc/03/20/52/556032052.db2.gz KNSLAUYCFAAQEL-WINIVTDRSA-N 0 0 427.548 6.105 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000005091637 556032094 /nfs/dbraw/zinc/03/20/94/556032094.db2.gz QGINGTOFZBVZKJ-VWLOTQADSA-N 0 0 431.580 5.552 50 30 IKEARN CN(C)c1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000005295155 556043830 /nfs/dbraw/zinc/04/38/30/556043830.db2.gz CNAACLSLMFVRAX-XNTDXEJSSA-N 0 0 428.919 5.811 50 30 IKEARN O=c1[nH]c2cc(Cl)ccc2nc1C(N=Nc1ccccc1)[C@H](O)c1ccc(Cl)cc1 ZINC000005400650 556051063 /nfs/dbraw/zinc/05/10/63/556051063.db2.gz OWDXJEXIUNKQIO-XAUWAZNKSA-N 0 0 439.302 5.192 50 30 IKEARN CCN(CC)c1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)c(C)c1 ZINC000006078425 556075311 /nfs/dbraw/zinc/07/53/11/556075311.db2.gz QNAPBFIWMTZDEO-VHPLVOQASA-N 0 0 438.622 5.445 50 30 IKEARN CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000006078103 556075371 /nfs/dbraw/zinc/07/53/71/556075371.db2.gz VTFLLRAXIIQIHX-SANMLTNESA-N 0 0 448.563 5.647 50 30 IKEARN CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006162451 556078889 /nfs/dbraw/zinc/07/88/89/556078889.db2.gz OWTBQNHTJKZQRR-RUZDIDTESA-N 0 0 446.547 5.091 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCCC ZINC000006162098 556078950 /nfs/dbraw/zinc/07/89/50/556078950.db2.gz VKDJRACXIQOLNS-XMMPIXPASA-N 0 0 439.596 5.813 50 30 IKEARN Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000006194040 556080051 /nfs/dbraw/zinc/08/00/51/556080051.db2.gz YIKXEEKYCSHDHC-YDZHTSKRSA-N 0 0 428.317 6.066 50 30 IKEARN N#Cc1cc2c(nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCCC2 ZINC000006456741 556088881 /nfs/dbraw/zinc/08/88/81/556088881.db2.gz VYNYDNVVUQFMSI-UHFFFAOYSA-N 0 0 439.890 5.625 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc2ccccc2s1 ZINC000006459060 556089607 /nfs/dbraw/zinc/08/96/07/556089607.db2.gz IYWQSLCVXDSORP-NRFANRHFSA-N 0 0 442.496 5.088 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000006462300 556090015 /nfs/dbraw/zinc/09/00/15/556090015.db2.gz UNCNVXBRFJEQID-JOBSNELWSA-N 0 0 437.569 5.977 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1 ZINC000006498943 556091740 /nfs/dbraw/zinc/09/17/40/556091740.db2.gz VKWBHSAKGOIDEP-WXTAPIANSA-N 0 0 428.488 5.209 50 30 IKEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000007017209 556113471 /nfs/dbraw/zinc/11/34/71/556113471.db2.gz QZFGQBJWAPWRSN-YMERHICUSA-N 0 0 425.340 6.802 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000002749415 556136879 /nfs/dbraw/zinc/13/68/79/556136879.db2.gz OFRHXPHMDIEDAL-DHRITJCHSA-N 0 0 429.372 6.937 50 30 IKEARN COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1cccc(Cl)c1 ZINC000002791747 556144365 /nfs/dbraw/zinc/14/43/65/556144365.db2.gz DWMQKAJHVBLBHB-AUEPDCJTSA-N 0 0 438.887 5.061 50 30 IKEARN N#CCCc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000002807797 556146349 /nfs/dbraw/zinc/14/63/49/556146349.db2.gz RFGFBZUTKMKETD-UHFFFAOYSA-N 0 0 442.466 5.349 50 30 IKEARN CCN(CC)c1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000002843349 556147800 /nfs/dbraw/zinc/14/78/00/556147800.db2.gz UHPFATMSXBVRQZ-LGJNPRDNSA-N 0 0 437.918 7.079 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)SC1=S ZINC000002964893 556154149 /nfs/dbraw/zinc/15/41/49/556154149.db2.gz OWUUPQCEIDHYNN-CPNJWEJPSA-N 0 0 445.993 5.705 50 30 IKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 ZINC000003025726 556157709 /nfs/dbraw/zinc/15/77/09/556157709.db2.gz RXXGJMFDHNIQSF-HGAXPLMXSA-N 0 0 438.270 7.126 50 30 IKEARN C(=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)\c1ccccc1 ZINC000008383307 556158932 /nfs/dbraw/zinc/15/89/32/556158932.db2.gz NJYHHTCFAHCIPJ-NXSLDUQTSA-N 0 0 428.579 7.315 50 30 IKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000008384344 556159948 /nfs/dbraw/zinc/15/99/48/556159948.db2.gz IQGAOGMWSBUQIZ-QFIPXVFZSA-N 0 0 435.476 5.138 50 30 IKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCC ZINC000008386491 556162174 /nfs/dbraw/zinc/16/21/74/556162174.db2.gz OMQXJSWEEKPJGU-RUZDIDTESA-N 0 0 447.660 6.464 50 30 IKEARN Cc1cccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 ZINC000008396050 556163333 /nfs/dbraw/zinc/16/33/33/556163333.db2.gz LECXDHANEYQVFW-MKRFAJQFSA-N 0 0 428.513 5.841 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O ZINC000008398048 556164558 /nfs/dbraw/zinc/16/45/58/556164558.db2.gz PNJIZAARSJFIJX-VQHVLOKHSA-N 0 0 427.125 5.444 50 30 IKEARN O=C(/C=C/c1ccc2ncccc2c1)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000008398254 556164764 /nfs/dbraw/zinc/16/47/64/556164764.db2.gz FUCSAZATLAVQMN-UKTHLTGXSA-N 0 0 447.450 5.548 50 30 IKEARN COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1Cl ZINC000008398455 556164808 /nfs/dbraw/zinc/16/48/08/556164808.db2.gz PPPUKZBDLULFAN-XNWCZRBMSA-N 0 0 431.290 6.616 50 30 IKEARN C(=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1)\c1ccco1 ZINC000008399211 556165253 /nfs/dbraw/zinc/16/52/53/556165253.db2.gz LDRPNWYYHFXLJS-KDZRPQIVSA-N 0 0 449.539 6.683 50 30 IKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 ZINC000008408086 556166766 /nfs/dbraw/zinc/16/67/66/556166766.db2.gz WNSQAHIRDVOQCU-OEAKJJBVSA-N 0 0 425.513 5.337 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000008415271 556167710 /nfs/dbraw/zinc/16/77/10/556167710.db2.gz RLAAGAQFHFKTRS-NRFANRHFSA-N 0 0 444.428 5.451 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008415103 556167736 /nfs/dbraw/zinc/16/77/36/556167736.db2.gz WYVWOVOWASGNHA-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000008415095 556167753 /nfs/dbraw/zinc/16/77/53/556167753.db2.gz ASMXLAJFKACSDY-OAQYLSRUSA-N 0 0 428.866 5.225 50 30 IKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)c(OC)c3)[C@H](c3ccccc3)C2)cc1 ZINC000008431174 556170826 /nfs/dbraw/zinc/17/08/26/556170826.db2.gz KYNOUCMSUPMWLO-ZEQRLZLVSA-N 0 0 427.504 5.128 50 30 IKEARN COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000008431161 556170862 /nfs/dbraw/zinc/17/08/62/556170862.db2.gz ZXOVSPPEKNYKJJ-ZHQJDRHOSA-N 0 0 439.353 5.274 50 30 IKEARN Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1Cl ZINC000008435551 556173340 /nfs/dbraw/zinc/17/33/40/556173340.db2.gz RMJKYYMMAZHFKE-ODLFYWEKSA-N 0 0 429.328 6.453 50 30 IKEARN COc1cc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000008437022 556173616 /nfs/dbraw/zinc/17/36/16/556173616.db2.gz YFCXOURGOFDMKA-PDGQHHTCSA-N 0 0 433.435 5.416 50 30 IKEARN Cc1cccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008439450 556175863 /nfs/dbraw/zinc/17/58/63/556175863.db2.gz FVDDBMFLRLHQSM-VWLOTQADSA-N 0 0 445.559 5.221 50 30 IKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000008440874 556176485 /nfs/dbraw/zinc/17/64/85/556176485.db2.gz QMJRWRUJGMKUMR-HSZRJFAPSA-N 0 0 431.488 5.155 50 30 IKEARN CCCCCCCCNC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000008442691 556177353 /nfs/dbraw/zinc/17/73/53/556177353.db2.gz JVYHBSNJTGVWEQ-UHFFFAOYSA-N 0 0 435.571 7.180 50 30 IKEARN CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000008448971 556180706 /nfs/dbraw/zinc/18/07/06/556180706.db2.gz TZCXOKRQGFGXHD-UHFFFAOYSA-N 0 0 435.564 6.565 50 30 IKEARN CCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000008448979 556180727 /nfs/dbraw/zinc/18/07/27/556180727.db2.gz JSDGSNTXSVIKPM-UHFFFAOYSA-N 0 0 435.564 6.565 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000008450495 556181314 /nfs/dbraw/zinc/18/13/14/556181314.db2.gz SQKWGNBLDPPRJC-FUQOYWQNSA-N 0 0 443.616 6.677 50 30 IKEARN CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000008451584 556182248 /nfs/dbraw/zinc/18/22/48/556182248.db2.gz HIJAXYPXZLERBN-YSMPRRRNSA-N 0 0 445.028 6.492 50 30 IKEARN N#Cc1cnc2c(/N=N\c3ccccc3Cl)c(N)nn2c1-c1nc2ccccc2s1 ZINC000097411227 556190671 /nfs/dbraw/zinc/19/06/71/556190671.db2.gz IDTPYYWCUPVNEC-RQZHXJHFSA-N 0 0 430.884 5.529 50 30 IKEARN Cc1c(C(=O)ONC(=N)c2ccc(C(C)(C)C)cc2)sc2cc(C(C)(C)C)sc12 ZINC000008618125 556192905 /nfs/dbraw/zinc/19/29/05/556192905.db2.gz MQDQSHUGKHAKOF-UHFFFAOYSA-N 0 0 428.623 6.344 50 30 IKEARN Cc1c(C(=O)ONC(=N)c2ccc(C(F)(F)F)cc2)sc2cc(C(C)(C)C)sc12 ZINC000008618127 556192946 /nfs/dbraw/zinc/19/29/46/556192946.db2.gz MZJYPUOCDGTUTN-UHFFFAOYSA-N 0 0 440.512 6.065 50 30 IKEARN CN(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(N(C)C)cc3Cl)C2=O)c(Cl)c1 ZINC000008628161 556193860 /nfs/dbraw/zinc/19/38/60/556193860.db2.gz JYXJLAFLYANCKO-KLCVKJMQSA-N 0 0 429.391 6.345 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008648862 556196646 /nfs/dbraw/zinc/19/66/46/556196646.db2.gz JNBWPKDJNPFNMP-DNTJNYDQSA-N 0 0 436.211 5.219 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000008742242 556207391 /nfs/dbraw/zinc/20/73/91/556207391.db2.gz UAMHNFUXDDMCPH-HOFKKMOUSA-N 0 0 443.587 5.810 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(C)c2)cc1 ZINC000008779934 556214641 /nfs/dbraw/zinc/21/46/41/556214641.db2.gz PCUDZKQAQSCLPO-RUZDIDTESA-N 0 0 445.559 5.351 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000008781195 556214676 /nfs/dbraw/zinc/21/46/76/556214676.db2.gz IRAFJWCEGJOZKT-QHCPKHFHSA-N 0 0 432.907 6.602 50 30 IKEARN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000008829909 556225227 /nfs/dbraw/zinc/22/52/27/556225227.db2.gz BLHUVRPHLDLWRE-IBGZPJMESA-N 0 0 435.376 5.300 50 30 aggregator IKEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000008837427 556226090 /nfs/dbraw/zinc/22/60/90/556226090.db2.gz BXFAFNUBDSUWKZ-VWLOTQADSA-N 0 0 448.478 5.657 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C(F)(F)F)cc1 ZINC000008846696 556227215 /nfs/dbraw/zinc/22/72/15/556227215.db2.gz SWLSQKIALIIEJM-WXTAPIANSA-N 0 0 448.488 6.993 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000008857450 556227754 /nfs/dbraw/zinc/22/77/54/556227754.db2.gz RJURTOCYQLFIPM-UPCLLVRISA-N 0 0 437.561 5.497 50 30 IKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 ZINC000008873545 556229917 /nfs/dbraw/zinc/22/99/17/556229917.db2.gz XLLPTQINUBTCAX-NLRVBDNBSA-N 0 0 431.561 5.350 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000008914173 556232001 /nfs/dbraw/zinc/23/20/01/556232001.db2.gz GYKFWZDWSXIVOD-LJQANCHMSA-N 0 0 443.286 5.068 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000008916826 556232764 /nfs/dbraw/zinc/23/27/64/556232764.db2.gz CQJJTUOODQCOMJ-PZGXJGMVSA-N 0 0 436.599 7.272 50 30 IKEARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000008922679 556233771 /nfs/dbraw/zinc/23/37/71/556233771.db2.gz ZDYOQYKUGJUPFX-PUHSMXRQSA-N 0 0 431.919 5.055 50 30 IKEARN O=[N+]([O-])c1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1 ZINC000008952375 556236158 /nfs/dbraw/zinc/23/61/58/556236158.db2.gz PVDHHCYITVVQQC-WSDLNYQXSA-N 0 0 437.253 5.612 50 30 IKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000008997144 556239903 /nfs/dbraw/zinc/23/99/03/556239903.db2.gz DNXSRZULBGSFSP-PZGXJGMVSA-N 0 0 437.587 6.512 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009007669 556240281 /nfs/dbraw/zinc/24/02/81/556240281.db2.gz GHSDRJJBTNDFKZ-QHCPKHFHSA-N 0 0 446.934 5.637 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000009041728 556241941 /nfs/dbraw/zinc/24/19/41/556241941.db2.gz AZRWCPUUKODWHN-QFIPXVFZSA-N 0 0 428.454 5.868 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009065288 556244576 /nfs/dbraw/zinc/24/45/76/556244576.db2.gz REPOGVPKXXNEMH-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@@H]2c1ccc(F)cc1 ZINC000009065872 556244770 /nfs/dbraw/zinc/24/47/70/556244770.db2.gz QBBPTIJQORIYBA-AREMUKBSSA-N 0 0 440.518 6.279 50 30 IKEARN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000009070012 556245147 /nfs/dbraw/zinc/24/51/47/556245147.db2.gz GGWPTCMCWGXRBJ-DEOSSOPVSA-N 0 0 448.636 5.263 50 30 IKEARN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000009070016 556245178 /nfs/dbraw/zinc/24/51/78/556245178.db2.gz GGWPTCMCWGXRBJ-XMMPIXPASA-N 0 0 448.636 5.263 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1OC ZINC000009087753 556245514 /nfs/dbraw/zinc/24/55/14/556245514.db2.gz QFAIFCOJESFSFW-QFIPXVFZSA-N 0 0 449.890 5.140 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009110182 556247402 /nfs/dbraw/zinc/24/74/02/556247402.db2.gz NYPUIMUEMHXKAX-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000009191633 556254078 /nfs/dbraw/zinc/25/40/78/556254078.db2.gz QZJAJWSFAMOGSR-DNOBIOAJSA-N 0 0 442.515 5.599 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000009191628 556254149 /nfs/dbraw/zinc/25/41/49/556254149.db2.gz QZJAJWSFAMOGSR-MYUZEXMDSA-N 0 0 442.515 5.599 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000009246829 556267057 /nfs/dbraw/zinc/26/70/57/556267057.db2.gz PYYUUKYQCKCTOA-WGDIFIGCSA-N 0 0 432.926 6.767 50 30 IKEARN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F ZINC000009259336 556267628 /nfs/dbraw/zinc/26/76/28/556267628.db2.gz OTZXKQCVSZMKLX-SSDVNMTOSA-N 0 0 431.265 5.350 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000009259086 556267791 /nfs/dbraw/zinc/26/77/91/556267791.db2.gz IXXQAWYPQGUEBB-VCHYOVAHSA-N 0 0 443.843 5.539 50 30 IKEARN O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000009264147 556270093 /nfs/dbraw/zinc/27/00/93/556270093.db2.gz PTLWWTDWVKTKCF-RUZDIDTESA-N 0 0 443.934 6.552 50 30 IKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1 ZINC000009264158 556270167 /nfs/dbraw/zinc/27/01/67/556270167.db2.gz ODPHRYGXPPCFJO-RUZDIDTESA-N 0 0 428.919 6.161 50 30 IKEARN COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 ZINC000009264218 556270421 /nfs/dbraw/zinc/27/04/21/556270421.db2.gz QRQLZJVNQOGLIB-XMMPIXPASA-N 0 0 429.476 5.501 50 30 IKEARN CCCNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009264280 556270466 /nfs/dbraw/zinc/27/04/66/556270466.db2.gz IXTIJJBSFVIQTD-BCHFMIIMSA-N 0 0 441.531 5.773 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000009264214 556270495 /nfs/dbraw/zinc/27/04/95/556270495.db2.gz GIXZSSHMMHVCAO-HSZRJFAPSA-N 0 0 433.895 6.145 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000009271670 556271004 /nfs/dbraw/zinc/27/10/04/556271004.db2.gz UYZHUUDARHVZRK-HXUWFJFHSA-N 0 0 442.353 5.608 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000009272735 556271393 /nfs/dbraw/zinc/27/13/93/556271393.db2.gz IQCHBIOTWKRKRW-HSZRJFAPSA-N 0 0 431.919 5.469 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 ZINC000009300559 556275938 /nfs/dbraw/zinc/27/59/38/556275938.db2.gz SWEXRNUITMYTMM-HHHXNRCGSA-N 0 0 446.591 6.419 50 30 IKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cn4)c3C)S2)cc1 ZINC000009311843 556279965 /nfs/dbraw/zinc/27/99/65/556279965.db2.gz QERIFUGHCXVIIM-FYJGNVAPSA-N 0 0 432.549 5.088 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000009363625 556285759 /nfs/dbraw/zinc/28/57/59/556285759.db2.gz SVVJYRCQROMLLJ-FQEVSTJZSA-N 0 0 434.289 5.232 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009374699 556286729 /nfs/dbraw/zinc/28/67/29/556286729.db2.gz DPXYSGGAJFIYSL-NRFANRHFSA-N 0 0 441.955 5.252 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000009546504 556297392 /nfs/dbraw/zinc/29/73/92/556297392.db2.gz JBTUOHMTNWAOJK-QYBDOPJKSA-N 0 0 439.490 5.600 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@H](c3cccc(Cl)c3)C12 ZINC000009546525 556297395 /nfs/dbraw/zinc/29/73/95/556297395.db2.gz LDLXGEDURBQYLF-IQMFZBJNSA-N 0 0 431.948 6.167 50 30 IKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccc(Br)cc2)n1 ZINC000013739434 556298096 /nfs/dbraw/zinc/29/80/96/556298096.db2.gz IZLBRKOBYXGVDP-UFFVCSGVSA-N 0 0 426.295 5.125 50 30 IKEARN CC1(C)C[C@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2c1ccc(Br)cc1 ZINC000013748769 556298388 /nfs/dbraw/zinc/29/83/88/556298388.db2.gz LGNBPKGJXMXFNJ-OAQYLSRUSA-N 0 0 444.398 5.613 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009559872 556298560 /nfs/dbraw/zinc/29/85/60/556298560.db2.gz ZYDCFFHSFVTXPW-SJCJKPOMSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)c1 ZINC000009559869 556298585 /nfs/dbraw/zinc/29/85/85/556298585.db2.gz VBOMNYVAOUBMGG-MLGOLLRUSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)c1 ZINC000009559868 556298595 /nfs/dbraw/zinc/29/85/95/556298595.db2.gz VBOMNYVAOUBMGG-LRDDRELGSA-N 0 0 446.330 5.015 50 30 IKEARN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1O ZINC000009560077 556299476 /nfs/dbraw/zinc/29/94/76/556299476.db2.gz YDFSVUSOZNKRKV-HIFRSBDPSA-N 0 0 446.330 5.102 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 ZINC000009560047 556299494 /nfs/dbraw/zinc/29/94/94/556299494.db2.gz VMJSNTZIJYYPPK-HYBUGGRVSA-N 0 0 439.511 5.492 50 30 IKEARN CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccccc2)cc1 ZINC000013756997 556300723 /nfs/dbraw/zinc/30/07/23/556300723.db2.gz OVIZWAHKNZVBBT-RSZPVBOMSA-N 0 0 446.623 5.104 50 30 IKEARN Oc1ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c(O)c1 ZINC000013756669 556300845 /nfs/dbraw/zinc/30/08/45/556300845.db2.gz GMGLSVRLSKNDJQ-BHGWPJFGSA-N 0 0 425.275 5.461 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1 ZINC000009601154 556302480 /nfs/dbraw/zinc/30/24/80/556302480.db2.gz RQYTZFCFQAGKKK-BJUXRVGASA-N 0 0 434.348 5.140 50 30 IKEARN CCCCCC(=O)c1c(C(=O)c2ccccc2)ccc2c1=NC1=C(CN=2)C(=O)CC(C)(C)C1 ZINC000009720984 556307532 /nfs/dbraw/zinc/30/75/32/556307532.db2.gz HURJGCKPFBJUSM-UHFFFAOYSA-N 0 0 442.559 6.452 50 30 IKEARN COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000009761110 556308256 /nfs/dbraw/zinc/30/82/56/556308256.db2.gz SCDXHRWLTOMYIQ-PFBJBMPXSA-N 0 0 445.522 5.288 50 30 IKEARN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000003073136 556308944 /nfs/dbraw/zinc/30/89/44/556308944.db2.gz MEGGNNHBYKJZGM-PCLIKHOPSA-N 0 0 446.484 5.575 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000009861254 556314648 /nfs/dbraw/zinc/31/46/48/556314648.db2.gz JFOJXPWQRSGYCA-AREMUKBSSA-N 0 0 438.483 5.232 50 30 IKEARN CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861354 556315028 /nfs/dbraw/zinc/31/50/28/556315028.db2.gz CNXAMYHANVQIQJ-SANMLTNESA-N 0 0 440.568 6.229 50 30 IKEARN COc1ccc(OC)c([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c1 ZINC000013838859 556317258 /nfs/dbraw/zinc/31/72/58/556317258.db2.gz MQMQMQMTYBPBLG-DEOSSOPVSA-N 0 0 425.488 5.334 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1 ZINC000009934356 556318288 /nfs/dbraw/zinc/31/82/88/556318288.db2.gz RNCCSISZHQBOIK-DNOBIOAJSA-N 0 0 442.515 5.599 50 30 IKEARN C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl ZINC000032754433 556323766 /nfs/dbraw/zinc/32/37/66/556323766.db2.gz WEDXXOPOQYZCMT-NSHDSACASA-N 0 0 438.384 5.972 50 30 IKEARN Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000010059676 556324107 /nfs/dbraw/zinc/32/41/07/556324107.db2.gz FTQRSPSNNSZBAA-QFIPXVFZSA-N 0 0 430.577 5.537 50 30 IKEARN CCCOc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC ZINC000010059698 556324112 /nfs/dbraw/zinc/32/41/12/556324112.db2.gz NNIBIDYEKKSCLP-AREMUKBSSA-N 0 0 429.541 6.351 50 30 IKEARN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O ZINC000013895873 556329204 /nfs/dbraw/zinc/32/92/04/556329204.db2.gz YSLXPAUGCBPIFW-GZAOZUBMSA-N 0 0 446.528 5.527 50 30 IKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3c(Cl)cc(Cl)cc3Cl)o2)c1 ZINC000013896115 556329319 /nfs/dbraw/zinc/32/93/19/556329319.db2.gz CKALSSUYZLXPJF-GZIVZEMBSA-N 0 0 445.089 6.914 50 30 IKEARN CCc1ccc(OCCCOc2c(C=NNc3ccc([N+](=O)[O-])cc3)cccc2OC)cc1 ZINC000013940710 556338171 /nfs/dbraw/zinc/33/81/71/556338171.db2.gz BAIKJICJVMNHQE-NLRVBDNBSA-N 0 0 449.507 5.460 50 30 IKEARN C/C(=N\Nc1ncc(-c2cc3c(ccc4ccccc43)oc2=O)s1)c1ccc(Cl)cc1 ZINC000013942141 556339319 /nfs/dbraw/zinc/33/93/19/556339319.db2.gz JULWBBFUKLUOSS-MZJWZYIUSA-N 0 0 445.931 6.559 50 30 IKEARN O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(OC(F)F)cc1 ZINC000013960095 556346993 /nfs/dbraw/zinc/34/69/93/556346993.db2.gz ZWYHAOJQBUAAOZ-BQYQJAHWSA-N 0 0 442.311 5.913 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000014008708 556353853 /nfs/dbraw/zinc/35/38/53/556353853.db2.gz GXWCLHZQMFPTCJ-CPNJWEJPSA-N 0 0 443.450 5.396 50 30 IKEARN N#Cc1ccccc1CSCCNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000032802022 556365111 /nfs/dbraw/zinc/36/51/11/556365111.db2.gz BXIOLUOAQIEHHV-UHFFFAOYSA-N 0 0 448.573 5.161 50 30 IKEARN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)c1 ZINC000032816941 556393132 /nfs/dbraw/zinc/39/31/32/556393132.db2.gz UWHJELTWDGRXQL-OAQYLSRUSA-N 0 0 434.927 5.265 50 30 IKEARN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)c1 ZINC000032816943 556393155 /nfs/dbraw/zinc/39/31/55/556393155.db2.gz UWHJELTWDGRXQL-NRFANRHFSA-N 0 0 434.927 5.265 50 30 IKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCc1ccccc1 ZINC000032594056 556407460 /nfs/dbraw/zinc/40/74/60/556407460.db2.gz FGNUKVQUNKLMTC-UHFFFAOYSA-N 0 0 429.907 6.100 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CC/C2=C/c1ccco1 ZINC000032625332 556411506 /nfs/dbraw/zinc/41/15/06/556411506.db2.gz DLWZBEVNZKGYDE-LGMDPLHJSA-N 0 0 444.943 7.239 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1 ZINC000032828833 556413338 /nfs/dbraw/zinc/41/33/38/556413338.db2.gz FJKVPUGGJCDBFY-NRFANRHFSA-N 0 0 437.590 5.402 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Sc2ccc(F)cc2)cc1 ZINC000032828926 556413501 /nfs/dbraw/zinc/41/35/01/556413501.db2.gz MUJFHYBDVPHPJZ-OAQYLSRUSA-N 0 0 449.532 5.267 50 30 IKEARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2 ZINC000014361051 556414763 /nfs/dbraw/zinc/41/47/63/556414763.db2.gz RNKKQICEWXXNSW-QHCPKHFHSA-N 0 0 447.922 5.170 50 30 IKEARN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000014606469 556429741 /nfs/dbraw/zinc/42/97/41/556429741.db2.gz VDYGLSFXKAXVJB-XMMPIXPASA-N 0 0 437.609 5.137 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1cccs1 ZINC000014606473 556429745 /nfs/dbraw/zinc/42/97/45/556429745.db2.gz QOPUNIBTSAKGCW-VWLOTQADSA-N 0 0 449.620 5.423 50 30 IKEARN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000014606468 556429753 /nfs/dbraw/zinc/42/97/53/556429753.db2.gz VDYGLSFXKAXVJB-DEOSSOPVSA-N 0 0 437.609 5.137 50 30 IKEARN Cc1cc(C)cc(N(CCC#N)C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1 ZINC000014674335 556431707 /nfs/dbraw/zinc/43/17/07/556431707.db2.gz GSGDPICGRUNGNE-UHFFFAOYSA-N 0 0 442.346 5.793 50 30 IKEARN COc1ccc(Br)c(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1 ZINC000015015733 556484889 /nfs/dbraw/zinc/48/48/89/556484889.db2.gz YPZAXSICXQQUND-PXNMLYILSA-N 0 0 437.746 5.311 50 30 IKEARN O=C1[C@@H](Cc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013139795 556485684 /nfs/dbraw/zinc/48/56/84/556485684.db2.gz NUZCHUGEGNDZAV-ZGKFLROHSA-N 0 0 437.362 5.828 50 30 IKEARN O=C1[C@H](Cc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013139794 556485711 /nfs/dbraw/zinc/48/57/11/556485711.db2.gz NUZCHUGEGNDZAV-HNWIBAKRSA-N 0 0 437.362 5.828 50 30 IKEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)CCCC3 ZINC000015225756 556512382 /nfs/dbraw/zinc/51/23/82/556512382.db2.gz QWEHCEDDJCDYNU-BHGWPJFGSA-N 0 0 441.965 5.617 50 30 IKEARN CCOC(=O)c1ccccc1OCc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OC ZINC000013535087 556513320 /nfs/dbraw/zinc/51/33/20/556513320.db2.gz DTILEQJALOMGFN-PGMHBOJBSA-N 0 0 442.511 5.663 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000015303959 556517179 /nfs/dbraw/zinc/51/71/79/556517179.db2.gz LLNRKJFJWZESND-AFMDSPMNSA-N 0 0 448.488 6.993 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000015303968 556517212 /nfs/dbraw/zinc/51/72/12/556517212.db2.gz LLNRKJFJWZESND-BCHFMIIMSA-N 0 0 448.488 6.993 50 30 IKEARN Cc1ccc(C)c(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1 ZINC000003081516 556518491 /nfs/dbraw/zinc/51/84/91/556518491.db2.gz KLPAXEHHVNCDBM-AQQMUFCHSA-N 0 0 434.333 6.435 50 30 IKEARN CCC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000003083655 556518693 /nfs/dbraw/zinc/51/86/93/556518693.db2.gz ITZRYUJKLJAVHQ-SSVJFZKPSA-N 0 0 437.370 8.456 50 30 IKEARN COc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000003089329 556519210 /nfs/dbraw/zinc/51/92/10/556519210.db2.gz VQQUFXAZMYKDAX-WYMPLXKRSA-N 0 0 445.258 5.880 50 30 IKEARN C(=N/NCN(Cc1ccccc1)Cc1ccccc1)\c1c2ccccc2cc2ccccc21 ZINC000015413905 556526442 /nfs/dbraw/zinc/52/64/42/556526442.db2.gz LXKXEHBJUKMEFS-AJBULDERSA-N 0 0 429.567 6.576 50 30 IKEARN COc1ccc(Br)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000032123387 556533442 /nfs/dbraw/zinc/53/34/42/556533442.db2.gz MQMNHMAGFTUQMA-ZRJGMHBZSA-N 0 0 445.132 5.479 50 30 IKEARN Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000015769695 556549755 /nfs/dbraw/zinc/54/97/55/556549755.db2.gz HJWJEHRGWLNEIU-DKUDOZJNSA-N 0 0 440.455 5.086 50 30 IKEARN Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000015769692 556549773 /nfs/dbraw/zinc/54/97/73/556549773.db2.gz HJWJEHRGWLNEIU-ZXYASIKESA-N 0 0 440.455 5.086 50 30 IKEARN COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 ZINC000015800146 556552690 /nfs/dbraw/zinc/55/26/90/556552690.db2.gz WTLMGGXNHSLHJD-OVCLIPMQSA-N 0 0 436.305 5.606 50 30 IKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000015821359 556553603 /nfs/dbraw/zinc/55/36/03/556553603.db2.gz ZBWRMHOZDPBWOD-VWLOTQADSA-N 0 0 439.471 5.416 50 30 IKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000015826268 556554291 /nfs/dbraw/zinc/55/42/91/556554291.db2.gz MTMYSPZMMJHIKN-RUZDIDTESA-N 0 0 442.584 6.513 50 30 IKEARN CCOC(=O)c1c(C)c(C(C)=O)sc1N=CC1=CC(=[NH+][N-]c2ccccc2)C=CC1=O ZINC000015930630 556565114 /nfs/dbraw/zinc/56/51/14/556565114.db2.gz MZTNGDZVIGBGPT-ZXSYOUNQSA-N 0 0 435.505 6.307 50 30 IKEARN COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1O ZINC000015931923 556565457 /nfs/dbraw/zinc/56/54/57/556565457.db2.gz QTTXEKJTTJHPLC-NSIKDUERSA-N 0 0 429.712 5.253 50 30 IKEARN CCCCOc1ccc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 ZINC000015945079 556566633 /nfs/dbraw/zinc/56/66/33/556566633.db2.gz MANOFFIFOMLJPO-JFLMPSFJSA-N 0 0 431.561 5.551 50 30 IKEARN CO/N=C1\CC(C)(C)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc(F)cc1 ZINC000033717373 556567063 /nfs/dbraw/zinc/56/70/63/556567063.db2.gz AFUVBBWBUAGDTE-LHLOQNFPSA-N 0 0 441.344 6.369 50 30 IKEARN Cc1ccc(/N=C2\C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1 ZINC000015985813 556571229 /nfs/dbraw/zinc/57/12/29/556571229.db2.gz QMQNOQWCKYAACP-LDBZKYBXSA-N 0 0 445.979 6.105 50 30 IKEARN Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000032913164 556587463 /nfs/dbraw/zinc/58/74/63/556587463.db2.gz INQCBEZQVQCKTB-UHFFFAOYSA-N 0 0 434.304 5.162 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(SC)c2)c1C ZINC000032971773 556589837 /nfs/dbraw/zinc/58/98/37/556589837.db2.gz CWADUWQGKNNNOT-UHFFFAOYSA-N 0 0 449.624 5.257 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2ccc(Cl)cc2C)c1C ZINC000032971807 556589839 /nfs/dbraw/zinc/58/98/39/556589839.db2.gz ACCDVFHGOLXMJR-UHFFFAOYSA-N 0 0 441.938 5.019 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(SC)c2)c1C ZINC000032972046 556589857 /nfs/dbraw/zinc/58/98/57/556589857.db2.gz CWBCDCCRYVKTPM-UHFFFAOYSA-N 0 0 449.624 5.257 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccc(Cl)cc1C ZINC000032972414 556590552 /nfs/dbraw/zinc/59/05/52/556590552.db2.gz IIMVWFHAGWMJOS-UHFFFAOYSA-N 0 0 437.975 5.014 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(F)c(Cl)c2)c1C ZINC000032971909 556590571 /nfs/dbraw/zinc/59/05/71/556590571.db2.gz KJRKCSWBBYZYGF-UHFFFAOYSA-N 0 0 441.938 5.019 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2cc(C)cc(C)c2)c(C)n1 ZINC000032973004 556591926 /nfs/dbraw/zinc/59/19/26/556591926.db2.gz IWAFVAXDMBNESH-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccccc2CC)c(C)n1 ZINC000032972983 556591995 /nfs/dbraw/zinc/59/19/95/556591995.db2.gz VMFQNBSSMDLVDT-UHFFFAOYSA-N 0 0 435.547 5.010 50 30 IKEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000032912902 556593546 /nfs/dbraw/zinc/59/35/46/556593546.db2.gz ZZBKUKZJPLGRDO-UHFFFAOYSA-N 0 0 425.444 5.478 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)ccc2C)c1C ZINC000032973239 556593651 /nfs/dbraw/zinc/59/36/51/556593651.db2.gz HAFHJTWUQWONQJ-UHFFFAOYSA-N 0 0 449.574 5.025 50 30 IKEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(C(C)C)cc1 ZINC000032973614 556594573 /nfs/dbraw/zinc/59/45/73/556594573.db2.gz AISCLDODCLECAB-UHFFFAOYSA-N 0 0 445.611 5.218 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1 ZINC000016294214 556598897 /nfs/dbraw/zinc/59/88/97/556598897.db2.gz RYMSTZOJZHSMKA-NRFANRHFSA-N 0 0 444.428 5.451 50 30 IKEARN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 ZINC000016310689 556599587 /nfs/dbraw/zinc/59/95/87/556599587.db2.gz GHFUFOIOKPPCCM-LPYMAVHISA-N 0 0 426.270 5.382 50 30 IKEARN CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 ZINC000032984255 556602695 /nfs/dbraw/zinc/60/26/95/556602695.db2.gz JZCCXTQOLWJVQK-UHFFFAOYSA-N 0 0 445.584 6.296 50 30 IKEARN CSc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984233 556603471 /nfs/dbraw/zinc/60/34/71/556603471.db2.gz GNIZRTIJGCUEOU-UHFFFAOYSA-N 0 0 441.961 5.712 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984411 556603604 /nfs/dbraw/zinc/60/36/04/556603604.db2.gz NYMJQMZQSCSQIQ-UHFFFAOYSA-N 0 0 435.520 5.709 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(F)cc1 ZINC000016382165 556603795 /nfs/dbraw/zinc/60/37/95/556603795.db2.gz IRWKEKYNLOFOKN-FQEVSTJZSA-N 0 0 427.306 6.278 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(F)cc1 ZINC000016382167 556603890 /nfs/dbraw/zinc/60/38/90/556603890.db2.gz IRWKEKYNLOFOKN-HXUWFJFHSA-N 0 0 427.306 6.278 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(OCC)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984302 556604071 /nfs/dbraw/zinc/60/40/71/556604071.db2.gz MZWDMBFFYVULMD-UHFFFAOYSA-N 0 0 449.528 5.134 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984293 556604075 /nfs/dbraw/zinc/60/40/75/556604075.db2.gz GYIWYYSKHHCRPL-UHFFFAOYSA-N 0 0 433.529 5.352 50 30 IKEARN CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984345 556604294 /nfs/dbraw/zinc/60/42/94/556604294.db2.gz WKHXLBXLBLKCSJ-UHFFFAOYSA-N 0 0 437.492 5.183 50 30 IKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000016426549 556606759 /nfs/dbraw/zinc/60/67/59/556606759.db2.gz BINPVEMYXWENRX-MYUZEXMDSA-N 0 0 444.962 6.718 50 30 IKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000016426543 556606804 /nfs/dbraw/zinc/60/68/04/556606804.db2.gz BINPVEMYXWENRX-XRHLQHRESA-N 0 0 444.962 6.718 50 30 IKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000016426552 556606842 /nfs/dbraw/zinc/60/68/42/556606842.db2.gz BINPVEMYXWENRX-CLYVBNDRSA-N 0 0 444.962 6.718 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000016447598 556608063 /nfs/dbraw/zinc/60/80/63/556608063.db2.gz DGXSOXOBGCYYPX-VWNXMTODSA-N 0 0 437.539 5.578 50 30 IKEARN Cc1ccc2c(c1)N[C@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000016474310 556609900 /nfs/dbraw/zinc/60/99/00/556609900.db2.gz UJZANIZMWMDRKJ-OAQYLSRUSA-N 0 0 427.342 5.685 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000032916779 556615637 /nfs/dbraw/zinc/61/56/37/556615637.db2.gz BPRGRPBFRSPLDW-WSDLNYQXSA-N 0 0 446.532 5.511 50 30 IKEARN CCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 ZINC000100566237 556620949 /nfs/dbraw/zinc/62/09/49/556620949.db2.gz GBDWCLPXQANTIE-UHFFFAOYSA-N 0 0 435.740 10.115 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000016677579 556622681 /nfs/dbraw/zinc/62/26/81/556622681.db2.gz YKLRDHIWOAIOCL-JVWAILMASA-N 0 0 444.922 5.927 50 30 IKEARN COc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000016677662 556622687 /nfs/dbraw/zinc/62/26/87/556622687.db2.gz MFJJEXWKZKLWQO-ZVHZXABRSA-N 0 0 433.309 5.514 50 30 IKEARN FC(F)Oc1ccc(/C=N/c2c(-c3ccc(OC(F)F)cc3)nc3n2CCS3)cc1 ZINC000100574692 556622857 /nfs/dbraw/zinc/62/28/57/556622857.db2.gz LHTCYTITHFDZQG-OPEKNORGSA-N 0 0 437.418 5.609 50 30 IKEARN Cc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)cc1C ZINC000003113628 556626811 /nfs/dbraw/zinc/62/68/11/556626811.db2.gz NSWXYSJTCLPSCI-OPEKNORGSA-N 0 0 449.304 6.353 50 30 IKEARN O=C1/C(=C\c2cccc(Br)c2)CCC/C1=C/c1cccc(Br)c1 ZINC000033721097 556627361 /nfs/dbraw/zinc/62/73/61/556627361.db2.gz AHJCUJSTWXHHHI-APGQMXJTSA-N 0 0 432.155 6.432 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000033744662 556629626 /nfs/dbraw/zinc/62/96/26/556629626.db2.gz ORDAQYJPJNSNSJ-ZNZIZOMTSA-N 0 0 433.486 5.418 50 30 IKEARN CCCCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000100606124 556630448 /nfs/dbraw/zinc/63/04/48/556630448.db2.gz HYOOUGKYJPIKNY-QHCPKHFHSA-N 0 0 429.604 7.584 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016735777 556633312 /nfs/dbraw/zinc/63/33/12/556633312.db2.gz FOTAODVASHTWEO-VWLOTQADSA-N 0 0 425.528 5.897 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016741222 556634918 /nfs/dbraw/zinc/63/49/18/556634918.db2.gz GKWWIEPEERDZRD-XMMPIXPASA-N 0 0 444.506 5.431 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000016741364 556635059 /nfs/dbraw/zinc/63/50/59/556635059.db2.gz UQXFYDZYUFUNOG-DEOSSOPVSA-N 0 0 431.532 5.448 50 30 IKEARN CCOc1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000016742201 556636001 /nfs/dbraw/zinc/63/60/01/556636001.db2.gz MIGDXTJBNUGXQI-YDZHTSKRSA-N 0 0 434.875 5.883 50 30 IKEARN CC(=[NH+]Cc1ccc(F)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000100636623 556637483 /nfs/dbraw/zinc/63/74/83/556637483.db2.gz HGMLPDPARCTNCY-YUMHPJSZSA-N 0 0 442.519 5.591 50 30 IKEARN CC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 ZINC000016753170 556638104 /nfs/dbraw/zinc/63/81/04/556638104.db2.gz IFOCZCRQMBPTNL-LSFURLLWSA-N 0 0 439.755 6.175 50 30 IKEARN CC(=O)Nc1sc(N=NCc2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)cc1 ZINC000016753172 556638186 /nfs/dbraw/zinc/63/81/86/556638186.db2.gz VHTKAXSDSMIBJX-ZMOGYAJESA-N 0 0 426.973 6.165 50 30 IKEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016779349 556641058 /nfs/dbraw/zinc/64/10/58/556641058.db2.gz APMCBNXDEBYPDP-DIFFPNOSSA-N 0 0 429.611 5.231 50 30 IKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(Cl)c1 ZINC000003113733 556642272 /nfs/dbraw/zinc/64/22/72/556642272.db2.gz ALFAYFQVVIAURL-KIBLKLHPSA-N 0 0 436.125 7.859 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1 ZINC000016806160 556643948 /nfs/dbraw/zinc/64/39/48/556643948.db2.gz AWACMYWSLBVEDN-QFIPXVFZSA-N 0 0 429.497 5.315 50 30 IKEARN CCCCCCC[NH+]=C(CC)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100698022 556650698 /nfs/dbraw/zinc/65/06/98/556650698.db2.gz SAVMAVGCQZBMKQ-QFEZKATASA-N 0 0 438.519 5.964 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000017028201 556653575 /nfs/dbraw/zinc/65/35/75/556653575.db2.gz OLWBKSRHNUZJJA-AREMUKBSSA-N 0 0 446.547 5.604 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1Cl ZINC000003113773 556656460 /nfs/dbraw/zinc/65/64/60/556656460.db2.gz XMEABQGXSZSJTQ-OPEKNORGSA-N 0 0 431.706 7.214 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(CC)cc2)S/C1=N\c1cccc(Cl)c1C ZINC000017084960 556656769 /nfs/dbraw/zinc/65/67/69/556656769.db2.gz JKQDMARGBGWDEQ-HZYJKNPPSA-N 0 0 441.984 5.357 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(Cl)ccc1C ZINC000017084970 556657136 /nfs/dbraw/zinc/65/71/36/556657136.db2.gz UELOCFQDPDIFTQ-IPQBESIJSA-N 0 0 427.957 5.103 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1cc(C)ccc1C ZINC000017084976 556657161 /nfs/dbraw/zinc/65/71/61/556657161.db2.gz JKBFETATFPMYJS-HZYJKNPPSA-N 0 0 441.984 5.412 50 30 IKEARN Clc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1Cl ZINC000003113788 556658798 /nfs/dbraw/zinc/65/87/98/556658798.db2.gz RAQIBRSPBOYJPL-BHGWPJFGSA-N 0 0 446.131 7.315 50 30 IKEARN O=C(NC1CCCC1)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000017095561 556659042 /nfs/dbraw/zinc/65/90/42/556659042.db2.gz KLGGJIABGQYAFT-JVWAILMASA-N 0 0 427.573 6.174 50 30 IKEARN CC[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1 ZINC000017096266 556659986 /nfs/dbraw/zinc/65/99/86/556659986.db2.gz ZRNPRINBFFCLDN-KSXCTLEASA-N 0 0 429.029 6.730 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3c(C)cccc3C)c2c1 ZINC000011866451 556666410 /nfs/dbraw/zinc/66/64/10/556666410.db2.gz NULNRPMDESNAMX-UHFFFAOYSA-N 0 0 441.527 6.932 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3C)c2c1 ZINC000011866443 556666590 /nfs/dbraw/zinc/66/65/90/556666590.db2.gz MZFMBDSENMPPAU-UHFFFAOYSA-N 0 0 427.500 6.624 50 30 IKEARN Clc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c(Cl)c1 ZINC000003113884 556669258 /nfs/dbraw/zinc/66/92/58/556669258.db2.gz FPXSCLMXNUFIHV-KIBLKLHPSA-N 0 0 436.125 7.859 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(C(C)(C)C)s2)C2=C(CCCC2=O)N1 ZINC000010013790 556672263 /nfs/dbraw/zinc/67/22/63/556672263.db2.gz WPLZZPUOMLGFGI-HSZRJFAPSA-N 0 0 438.568 5.791 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000017195158 556672618 /nfs/dbraw/zinc/67/26/18/556672618.db2.gz LJOHDXCOSBONGV-IBGZPJMESA-N 0 0 445.544 5.838 50 30 IKEARN CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000248294843 556678586 /nfs/dbraw/zinc/67/85/86/556678586.db2.gz WHLBCNRCXJZXMF-RTOMLYRKSA-N 0 0 428.610 5.320 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000018137678 556684679 /nfs/dbraw/zinc/68/46/79/556684679.db2.gz FCTUPJZLWWGATE-CCLHPLFOSA-N 0 0 426.491 5.746 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000018155906 556685264 /nfs/dbraw/zinc/68/52/64/556685264.db2.gz AUGPVCVOLVUIRU-SSOJOUAXSA-N 0 0 432.907 5.854 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(Cl)c2)nc1 ZINC000018155752 556685279 /nfs/dbraw/zinc/68/52/79/556685279.db2.gz CYCYNJMNVMKCRD-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000018155901 556685311 /nfs/dbraw/zinc/68/53/11/556685311.db2.gz AUGPVCVOLVUIRU-CRICUBBOSA-N 0 0 432.907 5.854 50 30 IKEARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1ccco1 ZINC000018219496 556687416 /nfs/dbraw/zinc/68/74/16/556687416.db2.gz WAPNHCQFZGTYRX-CPJLOUKISA-N 0 0 428.488 5.355 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(I)c1 ZINC000018250040 556688234 /nfs/dbraw/zinc/68/82/34/556688234.db2.gz MYEIBTIZYYFAFE-HXUWFJFHSA-N 0 0 444.316 5.513 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000018250735 556688409 /nfs/dbraw/zinc/68/84/09/556688409.db2.gz AKKBVQSJPCVNPB-GKVSMKOHSA-N 0 0 432.520 5.808 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl ZINC000018322543 556689335 /nfs/dbraw/zinc/68/93/35/556689335.db2.gz QLJYLEUKPIZAFW-RUZDIDTESA-N 0 0 436.983 6.673 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000018285630 556689349 /nfs/dbraw/zinc/68/93/49/556689349.db2.gz BXNREIQYHKIHTL-WTYVLRPYSA-N 0 0 440.518 6.136 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000018285623 556689454 /nfs/dbraw/zinc/68/94/54/556689454.db2.gz BXNREIQYHKIHTL-PIIWDFAUSA-N 0 0 440.518 6.136 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000003461821 556697762 /nfs/dbraw/zinc/69/77/62/556697762.db2.gz LKOLIWPFEGPTIO-OAHLLOKOSA-N 0 0 433.356 5.144 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@]1(O)CCCc2ccccc21 ZINC000013591453 556700459 /nfs/dbraw/zinc/70/04/59/556700459.db2.gz NEWODRLGXDGQST-LJAQVGFWSA-N 0 0 448.591 6.603 50 30 IKEARN N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1OCc1ccccc1 ZINC000013590162 556700463 /nfs/dbraw/zinc/70/04/63/556700463.db2.gz IJACACDSRXLBHV-UHFFFAOYSA-N 0 0 441.328 6.629 50 30 IKEARN C[C@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@H](C)O1 ZINC000033027114 556704416 /nfs/dbraw/zinc/70/44/16/556704416.db2.gz BLWHKQOPCPKCEV-IRXDYDNUSA-N 0 0 429.476 5.152 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000013728490 556721096 /nfs/dbraw/zinc/72/10/96/556721096.db2.gz UDMXQIUVWKMNJZ-JOCHJYFZSA-N 0 0 444.874 5.260 50 30 IKEARN Cc1ccc(/C=C\C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)o1 ZINC000033908140 556723381 /nfs/dbraw/zinc/72/33/81/556723381.db2.gz DYNPFCBZGUZQRS-QBFSEMIESA-N 0 0 432.317 6.770 50 30 IKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000019314977 556735573 /nfs/dbraw/zinc/73/55/73/556735573.db2.gz WJFHFMWEDHXODR-DEOSSOPVSA-N 0 0 431.532 5.187 50 30 IKEARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)[C@H](C)CC#N)c2c1C ZINC000078968158 556737306 /nfs/dbraw/zinc/73/73/06/556737306.db2.gz CBAHUCMWDROIAQ-CQSZACIVSA-N 0 0 440.594 5.207 50 30 IKEARN Cc1cccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)c1 ZINC000013476261 556748432 /nfs/dbraw/zinc/74/84/32/556748432.db2.gz JYYFHGHXLBILGC-GOSISDBHSA-N 0 0 442.799 5.345 50 30 IKEARN COc1ccc(NC(=O)CSc2nc(-c3cccs3)c3c(c2C#N)CCCC3)cc1 ZINC000001026147 556762196 /nfs/dbraw/zinc/76/21/96/556762196.db2.gz ATGMTQMFYYOLPH-UHFFFAOYSA-N 0 0 435.574 5.300 50 30 IKEARN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@@H]3C2(C#N)C#N)c(C)c1 ZINC000001028035 556762416 /nfs/dbraw/zinc/76/24/16/556762416.db2.gz XMKOJNYQAUTPQU-CYXNTTPDSA-N 0 0 445.526 5.033 50 30 IKEARN CCCCC1CCC(c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)CC1 ZINC000061997283 556763477 /nfs/dbraw/zinc/76/34/77/556763477.db2.gz NHLUTULFPAJQJG-UHFFFAOYSA-N 0 0 426.992 5.990 50 30 IKEARN CCCCCCCCCCS(=O)(=O)Nc1ccc(OC(=O)CCCCCCC)cc1 ZINC000033354450 556775489 /nfs/dbraw/zinc/77/54/89/556775489.db2.gz XBEMKOFMQSJGCM-UHFFFAOYSA-N 0 0 439.662 6.835 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535672 556793950 /nfs/dbraw/zinc/79/39/50/556793950.db2.gz ADYCWNXEYXARFO-QHCPKHFHSA-N 0 0 435.951 5.687 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000019535936 556794045 /nfs/dbraw/zinc/79/40/45/556794045.db2.gz WEUPWBNKPHPDRU-OAQYLSRUSA-N 0 0 444.369 5.293 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1 ZINC000002625389 556800794 /nfs/dbraw/zinc/80/07/94/556800794.db2.gz JHQXBCQJBZPQPA-UHFFFAOYSA-N 0 0 440.572 5.453 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 ZINC000002663216 556803118 /nfs/dbraw/zinc/80/31/18/556803118.db2.gz FNGZKECVTJAOCU-MRXNPFEDSA-N 0 0 446.528 5.332 50 30 IKEARN Cc1c(C#N)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)sc1C(=O)N(C)C ZINC000002761417 556803478 /nfs/dbraw/zinc/80/34/78/556803478.db2.gz MGZREHMJUVVYGD-UHFFFAOYSA-N 0 0 440.528 5.098 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)CCCC2 ZINC000003294417 556810642 /nfs/dbraw/zinc/81/06/42/556810642.db2.gz QAZMQUWXWZGGMP-UHFFFAOYSA-N 0 0 431.892 5.297 50 30 IKEARN COc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000003357464 556811473 /nfs/dbraw/zinc/81/14/73/556811473.db2.gz SWXNINOWKRVFCJ-CQSZACIVSA-N 0 0 426.973 5.898 50 30 IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004635548 556811797 /nfs/dbraw/zinc/81/17/97/556811797.db2.gz YODKLHFPZCJAOA-VWLOTQADSA-N 0 0 447.554 5.279 50 30 IKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000003346577 556813361 /nfs/dbraw/zinc/81/33/61/556813361.db2.gz YAIJBDAMUKBCGT-UHFFFAOYSA-N 0 0 433.499 5.917 50 30 IKEARN Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC000003398421 556814329 /nfs/dbraw/zinc/81/43/29/556814329.db2.gz PEIJSPBQJHRPPT-MRXNPFEDSA-N 0 0 436.606 5.164 50 30 IKEARN COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000096448091 556814405 /nfs/dbraw/zinc/81/44/05/556814405.db2.gz ODWKEQAUZHUXKA-RDDXSWEBSA-N 0 0 425.569 5.510 50 30 biogenic IKEARN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\NC(=O)N(c2ccccc2)C1=O ZINC000096473356 556816386 /nfs/dbraw/zinc/81/63/86/556816386.db2.gz MIPXVWUCLJUECP-XYGWBWBKSA-N 0 0 445.478 5.388 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)cc1 ZINC000003116391 556827087 /nfs/dbraw/zinc/82/70/87/556827087.db2.gz YSTKVUHKDOMVKQ-WYMPLXKRSA-N 0 0 449.131 6.726 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005603783 556829388 /nfs/dbraw/zinc/82/93/88/556829388.db2.gz QBJPUYTWPQBQQS-DEOSSOPVSA-N 0 0 427.548 5.780 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000019630402 556832295 /nfs/dbraw/zinc/83/22/95/556832295.db2.gz VSKLXCJSVVBUIF-NPMXOYFQSA-N 0 0 439.602 5.657 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019635436 556834892 /nfs/dbraw/zinc/83/48/92/556834892.db2.gz GJXNZLWSOVVDNT-QRQCRPRQSA-N 0 0 442.342 5.528 50 30 IKEARN COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019643804 556838540 /nfs/dbraw/zinc/83/85/40/556838540.db2.gz MABDESRNHXMABY-VWLOTQADSA-N 0 0 445.559 5.085 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019646932 556840709 /nfs/dbraw/zinc/84/07/09/556840709.db2.gz JSUGGEPXMUWXJH-XCLFUZPHSA-N 0 0 448.371 5.590 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019646923 556840754 /nfs/dbraw/zinc/84/07/54/556840754.db2.gz JSUGGEPXMUWXJH-RNODOKPDSA-N 0 0 448.371 5.590 50 30 IKEARN CCN(CC)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c(O)c1 ZINC000096839133 556846981 /nfs/dbraw/zinc/84/69/81/556846981.db2.gz JGPJIQMERUPFDL-LTGZKZEYSA-N 0 0 428.557 6.272 50 30 IKEARN CCCCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C[C@@H]1CCCO1)c2=O ZINC000097952416 556848813 /nfs/dbraw/zinc/84/88/13/556848813.db2.gz IHBYIUAHUVFXNS-IBGZPJMESA-N 0 0 447.583 5.142 50 30 IKEARN CCCCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C[C@H]1CCCO1)c2=O ZINC000097952417 556848819 /nfs/dbraw/zinc/84/88/19/556848819.db2.gz IHBYIUAHUVFXNS-LJQANCHMSA-N 0 0 447.583 5.142 50 30 IKEARN CCCCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000097951873 556848832 /nfs/dbraw/zinc/84/88/32/556848832.db2.gz BHCBMWMEZGZUAQ-UHFFFAOYSA-N 0 0 434.668 8.444 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000097953074 556849914 /nfs/dbraw/zinc/84/99/14/556849914.db2.gz HUXCMQDAFPGDBM-UHFFFAOYSA-N 0 0 434.515 5.481 50 30 IKEARN CCCCCCCCCSc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097952665 556849998 /nfs/dbraw/zinc/84/99/98/556849998.db2.gz WDPUBMCNEZYIGK-UHFFFAOYSA-N 0 0 443.682 7.242 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000097953962 556850170 /nfs/dbraw/zinc/85/01/70/556850170.db2.gz JFSCPOMFUMYERF-XMMPIXPASA-N 0 0 445.651 7.396 50 30 IKEARN CCCCCCCCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 ZINC000097954416 556850547 /nfs/dbraw/zinc/85/05/47/556850547.db2.gz YQNNQZJYLMTWRK-UHFFFAOYSA-N 0 0 439.604 5.072 50 30 IKEARN CCCCCCCn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000097954494 556850575 /nfs/dbraw/zinc/85/05/75/556850575.db2.gz BRUNWPBJVIOXGO-UHFFFAOYSA-N 0 0 436.581 5.278 50 30 IKEARN CCOc1ccc(Sc2ccc(/C=C3/C(=O)c4ccc5ccccc5c4N3C)cc2)cc1 ZINC000033155132 556878749 /nfs/dbraw/zinc/87/87/49/556878749.db2.gz NYBVANKNKCBURS-ITYLOYPMSA-N 0 0 437.564 7.063 50 30 IKEARN CCc1ccc(C(=CCc2ccc(F)cc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000033154765 556878788 /nfs/dbraw/zinc/87/87/88/556878788.db2.gz IKZXOSWMKYTPPV-DWSXAKPXSA-N 0 0 434.427 5.734 50 30 IKEARN COc1cc2c(cc1OC)[C@H](C1C(=O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 ZINC000004713236 556890274 /nfs/dbraw/zinc/89/02/74/556890274.db2.gz VZZLAMBMWPLSFB-OAQYLSRUSA-N 0 0 426.509 5.024 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F ZINC000019761922 556906012 /nfs/dbraw/zinc/90/60/12/556906012.db2.gz VNVRIFOIKKKMRY-OYHNWAKOSA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F ZINC000019761929 556906015 /nfs/dbraw/zinc/90/60/15/556906015.db2.gz VNVRIFOIKKKMRY-QRQCRPRQSA-N 0 0 425.887 5.014 50 30 IKEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000019762481 556906943 /nfs/dbraw/zinc/90/69/43/556906943.db2.gz ZWMDYDWSLZDAAN-NLFFAJNJSA-N 0 0 431.532 5.008 50 30 IKEARN CSc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019770763 556912884 /nfs/dbraw/zinc/91/28/84/556912884.db2.gz TXKMGHFTPVRGSX-DEOSSOPVSA-N 0 0 433.573 5.162 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc(Br)c1 ZINC000019804932 556918013 /nfs/dbraw/zinc/91/80/13/556918013.db2.gz NTAHEAFMDPYKQC-FPOVZHCZSA-N 0 0 434.333 5.491 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000019827928 556926209 /nfs/dbraw/zinc/92/62/09/556926209.db2.gz PKAPHACYLSPAAN-YADARESESA-N 0 0 435.951 5.573 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019830813 556926296 /nfs/dbraw/zinc/92/62/96/556926296.db2.gz JHTBJUSVJWSFGY-CPJSRVTESA-N 0 0 433.523 5.387 50 30 IKEARN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC ZINC000019840484 556929483 /nfs/dbraw/zinc/92/94/83/556929483.db2.gz HCLIOQUNAYUTAE-UHFFFAOYSA-N 0 0 429.944 5.229 50 30 IKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848645 556930441 /nfs/dbraw/zinc/93/04/41/556930441.db2.gz CUCLAAWMNHGELU-XMMPIXPASA-N 0 0 449.522 5.052 50 30 IKEARN Brc1ccccc1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019848786 556930459 /nfs/dbraw/zinc/93/04/59/556930459.db2.gz LBIXGYYBZJHRRP-LGUFXXKBSA-N 0 0 434.381 5.190 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019855107 556931167 /nfs/dbraw/zinc/93/11/67/556931167.db2.gz OIKKHQBJFZQQSO-QFIPXVFZSA-N 0 0 442.342 5.705 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](C#N)[C@@]2(O)C1 ZINC000020028375 556967543 /nfs/dbraw/zinc/96/75/43/556967543.db2.gz IKAYYSYGCHKPAB-QBOLOTAASA-N 0 0 443.716 6.987 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(F)c3)sc2C1 ZINC000013943181 556974495 /nfs/dbraw/zinc/97/44/95/556974495.db2.gz GOLHMTYNORBMKP-AWEZNQCLSA-N 0 0 429.586 5.427 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(Br)c3)sc2C1 ZINC000013940700 556974553 /nfs/dbraw/zinc/97/45/53/556974553.db2.gz HIJKFEJSXILTTE-AWEZNQCLSA-N 0 0 431.399 6.176 50 30 IKEARN Clc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1Cl ZINC000020073654 556978702 /nfs/dbraw/zinc/97/87/02/556978702.db2.gz FIPUELFNGBRFQC-DNTJNYDQSA-N 0 0 427.154 6.325 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000033268242 556982649 /nfs/dbraw/zinc/98/26/49/556982649.db2.gz NXUQUBQNTFOZOO-QHCPKHFHSA-N 0 0 444.510 5.241 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1 ZINC000097959768 556984903 /nfs/dbraw/zinc/98/49/03/556984903.db2.gz FGXPVGUXUBIJTC-MOHJPFBDSA-N 0 0 436.621 6.934 50 30 IKEARN Cc1cc2sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Cl ZINC000097983729 556999283 /nfs/dbraw/zinc/99/92/83/556999283.db2.gz JLRQHYUDMRGOSN-UHFFFAOYSA-N 0 0 444.706 5.665 50 30 IKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1CCCCC ZINC000097985319 556999646 /nfs/dbraw/zinc/99/96/46/556999646.db2.gz GJQTYMXZYRFNJT-UHFFFAOYSA-N 0 0 440.760 10.031 50 30 IKEARN COc1ccc(OC)c(CNC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 ZINC000020228914 557001318 /nfs/dbraw/zinc/00/13/18/557001318.db2.gz WQYSNAYMDLKYEU-UHFFFAOYSA-N 0 0 439.433 5.577 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 ZINC000097997158 557004269 /nfs/dbraw/zinc/00/42/69/557004269.db2.gz QUQXTDLJMPDNBJ-ALXOLRSRSA-N 0 0 431.576 7.107 50 30 IKEARN CCCCCCCCOc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000097997937 557004277 /nfs/dbraw/zinc/00/42/77/557004277.db2.gz IYVGOXPHYUNJJL-XLNRJJMWSA-N 0 0 426.944 6.336 50 30 IKEARN CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC000097999362 557005246 /nfs/dbraw/zinc/00/52/46/557005246.db2.gz APAMUKPQYHNZEK-NRFANRHFSA-N 0 0 433.596 6.316 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)cc1 ZINC000098001383 557012301 /nfs/dbraw/zinc/01/23/01/557012301.db2.gz SWWQJGLLNQHQEO-UHFFFAOYSA-N 0 0 429.645 7.528 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)Nc1cc(F)c(F)cc1Cl ZINC000098001308 557012312 /nfs/dbraw/zinc/01/23/12/557012312.db2.gz OYBOSSHIFVDVSQ-UHFFFAOYSA-N 0 0 431.011 8.221 50 30 IKEARN CS/C(=N\S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCCC1 ZINC000020414163 557014449 /nfs/dbraw/zinc/01/44/49/557014449.db2.gz SYADGPTZTRATPH-UCQKPKSFSA-N 0 0 448.454 5.008 50 30 IKEARN C=CCn1c(=O)c2sccc2nc1SCCCC(=O)c1ccc(Br)cc1 ZINC000011269125 557015301 /nfs/dbraw/zinc/01/53/01/557015301.db2.gz LGLUPJKUOOPUSN-UHFFFAOYSA-N 0 0 449.395 5.162 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000032943216 557017938 /nfs/dbraw/zinc/01/79/38/557017938.db2.gz WMXAKESUZMHQBW-UHFFFAOYSA-N 0 0 442.538 5.673 50 30 IKEARN COc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943271 557018111 /nfs/dbraw/zinc/01/81/11/557018111.db2.gz WEMLMSLZFBRODE-UHFFFAOYSA-N 0 0 446.938 5.271 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943351 557018217 /nfs/dbraw/zinc/01/82/17/557018217.db2.gz RSHCQPJNPKEQOS-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1 ZINC000032943468 557019789 /nfs/dbraw/zinc/01/97/89/557019789.db2.gz XNTXMCHBNFWUAO-UHFFFAOYSA-N 0 0 444.510 5.146 50 30 IKEARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000043220790 557023353 /nfs/dbraw/zinc/02/33/53/557023353.db2.gz BKVCVSUDKCXNAQ-AWEZNQCLSA-N 0 0 437.590 5.649 50 30 IKEARN N#Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153762 557028750 /nfs/dbraw/zinc/02/87/50/557028750.db2.gz MQOKWMQUHBJIHM-UHFFFAOYSA-N 0 0 441.478 5.449 50 30 IKEARN CCCCCCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2CC)CC1 ZINC000098021465 557029107 /nfs/dbraw/zinc/02/91/07/557029107.db2.gz YBUGDFFUKKZGJM-UHFFFAOYSA-N 0 0 436.644 5.722 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000098021446 557029187 /nfs/dbraw/zinc/02/91/87/557029187.db2.gz YSZBDCFPYRFCPA-SANMLTNESA-N 0 0 438.637 6.771 50 30 IKEARN CCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2OCC)c1 ZINC000098021393 557029216 /nfs/dbraw/zinc/02/92/16/557029216.db2.gz RDTAJBYGPLLMLO-RUZDIDTESA-N 0 0 440.609 6.163 50 30 IKEARN Cc1ccc(C)c(N2CCN(/C(=N\c3cc(C)cc(C)c3)NC(=O)c3ccccc3)CC2)c1 ZINC000032946327 557031233 /nfs/dbraw/zinc/03/12/33/557031233.db2.gz ZAGPJLJEKMQVNP-UHFFFAOYSA-N 0 0 440.591 5.160 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NCc2ccccn2)cc1C ZINC000046125493 557037796 /nfs/dbraw/zinc/03/77/96/557037796.db2.gz BPDRQDGABIQWNB-UHFFFAOYSA-N 0 0 426.442 5.115 50 30 IKEARN CC1=CN2[C@H](C(=O)c3ccccc3)[C@@H](c3cccc(F)c3)C(C#N)(C#N)[C@@H]2c2ccccc21 ZINC000017206507 557038517 /nfs/dbraw/zinc/03/85/17/557038517.db2.gz YKULJWZFIDEUIU-OBDYRVMHSA-N 0 0 433.486 5.626 50 30 IKEARN CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@@]2(C(C)(C)C)C1=O ZINC000017208218 557038860 /nfs/dbraw/zinc/03/88/60/557038860.db2.gz AVACOHUQWPOENZ-QUSLYVOKSA-N 0 0 440.591 6.302 50 30 IKEARN COc1ccc(-c2csc(N=NC3C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 ZINC000017250732 557042462 /nfs/dbraw/zinc/04/24/62/557042462.db2.gz YVCXIROPPVUFHA-YKMWHWIESA-N 0 0 441.556 6.467 50 30 IKEARN COc1ccc(Nc2c(Cc3ccc(C)cc3)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000017246028 557044665 /nfs/dbraw/zinc/04/46/65/557044665.db2.gz FEWQNNZTKKAKEP-UHFFFAOYSA-N 0 0 432.527 6.319 50 30 IKEARN CCCCCCCCCCCCOc1ccc(C#Cc2ccc(OCCCO)cc2)cc1 ZINC000098045095 557046099 /nfs/dbraw/zinc/04/60/99/557046099.db2.gz CXFOSYGSIHKVSK-UHFFFAOYSA-N 0 0 436.636 7.147 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2-c2ccccc2S1(=O)=O ZINC000033271945 557050389 /nfs/dbraw/zinc/05/03/89/557050389.db2.gz LZWDCRXSTNGGJM-UHFFFAOYSA-N 0 0 448.544 5.088 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000048253069 557052184 /nfs/dbraw/zinc/05/21/84/557052184.db2.gz XVVLFOIJLFROIC-XVNBXDOJSA-N 0 0 446.305 6.125 50 30 IKEARN N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000033286668 557063857 /nfs/dbraw/zinc/06/38/57/557063857.db2.gz CTVBWXUPIDVNGU-UHFFFAOYSA-N 0 0 439.327 5.356 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000008413269 557092289 /nfs/dbraw/zinc/09/22/89/557092289.db2.gz YAMQNFIPIVPJBW-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008413551 557092370 /nfs/dbraw/zinc/09/23/70/557092370.db2.gz WTIZSDUJURQMSX-DEOSSOPVSA-N 0 0 445.563 5.031 50 30 IKEARN CCC(C)(C)C1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000004762438 557092651 /nfs/dbraw/zinc/09/26/51/557092651.db2.gz ULLIZFRJXFIINU-GJHDBBOXSA-N 0 0 430.636 6.701 50 30 IKEARN N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1N1CCc2ccccc2C1 ZINC000033324479 557106419 /nfs/dbraw/zinc/10/64/19/557106419.db2.gz RCWYTHRWCAFDQY-UHFFFAOYSA-N 0 0 431.879 5.601 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1OC ZINC000033324900 557106986 /nfs/dbraw/zinc/10/69/86/557106986.db2.gz BRUBXGKOVGUKFP-IQMFZBJNSA-N 0 0 434.467 5.098 50 30 IKEARN COc1cc(/C=C2/CC/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C ZINC000033334028 557117203 /nfs/dbraw/zinc/11/72/03/557117203.db2.gz BPFXIWBXTKYKNV-JZTLMNBPSA-N 0 0 436.548 6.108 50 30 IKEARN CC/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC ZINC000033347735 557123036 /nfs/dbraw/zinc/12/30/36/557123036.db2.gz FXLCHAHQBTVRRJ-SXZIKPQKSA-N 0 0 444.984 5.630 50 30 IKEARN N#Cc1nc(/C=C/c2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000606422432 557125053 /nfs/dbraw/zinc/12/50/53/557125053.db2.gz FIAPKYDADLZZIE-PZVJUEDKSA-N 0 0 432.955 6.009 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC ZINC000000652732 557129436 /nfs/dbraw/zinc/12/94/36/557129436.db2.gz BNXKWKMOTCPNTP-MHZLTWQESA-N 0 0 427.544 6.557 50 30 IKEARN CCCCCCCCOc1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000033355268 557130766 /nfs/dbraw/zinc/13/07/66/557130766.db2.gz AFJNVAOZMDDRMU-UHFFFAOYSA-N 0 0 446.591 6.224 50 30 IKEARN CC[C@@H]1CCc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)c(C(F)(F)F)c2C1 ZINC000000663961 557131447 /nfs/dbraw/zinc/13/14/47/557131447.db2.gz MHNJJFZWMXVMNH-CYBMUJFWSA-N 0 0 449.498 5.226 50 30 IKEARN CC[C@H]1CCc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)c(C(F)(F)F)c2C1 ZINC000000663958 557131459 /nfs/dbraw/zinc/13/14/59/557131459.db2.gz MHNJJFZWMXVMNH-ZDUSSCGKSA-N 0 0 449.498 5.226 50 30 IKEARN CCc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)c(C#N)c(C(F)(F)F)c1C ZINC000000663917 557131566 /nfs/dbraw/zinc/13/15/66/557131566.db2.gz NFTMQSDGWJQSBZ-UHFFFAOYSA-N 0 0 448.297 5.881 50 30 IKEARN C=CCn1c(CNc2cccc3ccccc32)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000000670568 557132862 /nfs/dbraw/zinc/13/28/62/557132862.db2.gz OGDMEIWKVLRETI-UHFFFAOYSA-N 0 0 444.560 5.213 50 30 IKEARN O=C(NC1CCCCC1)c1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2 ZINC000003766348 557138623 /nfs/dbraw/zinc/13/86/23/557138623.db2.gz JUEDOQUYRKQPSB-YDZHTSKRSA-N 0 0 427.526 5.054 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000003144980 557144065 /nfs/dbraw/zinc/14/40/65/557144065.db2.gz XOMLDDQMPKXUBC-BLZGDTNESA-N 0 0 425.488 7.116 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000000716884 557148144 /nfs/dbraw/zinc/14/81/44/557148144.db2.gz OQSCTCYGPBIPDU-VWLOTQADSA-N 0 0 429.516 5.872 50 30 IKEARN O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCc2ccccc2C1 ZINC000000716675 557148200 /nfs/dbraw/zinc/14/82/00/557148200.db2.gz WIKKNMOJGPBWRW-FAJYDZGRSA-N 0 0 435.449 5.189 50 30 IKEARN C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000011443900 557148446 /nfs/dbraw/zinc/14/84/46/557148446.db2.gz QWFFKKSBMLZNHD-CYBMUJFWSA-N 0 0 430.888 5.186 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cc(Cl)cc2c1OCOC2 ZINC000000718333 557148866 /nfs/dbraw/zinc/14/88/66/557148866.db2.gz ABUMMQZPAAXTEC-DEOSSOPVSA-N 0 0 445.946 6.560 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000043896065 557149119 /nfs/dbraw/zinc/14/91/19/557149119.db2.gz VMZONVWPTOGZEA-GVAUOCQISA-N 0 0 435.914 5.624 50 30 IKEARN COc1ccc(Br)cc1[C@@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2 ZINC000016425622 557151494 /nfs/dbraw/zinc/15/14/94/557151494.db2.gz HWWCDOGJKRIFQE-JOCHJYFZSA-N 0 0 435.321 5.570 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009861204 557152515 /nfs/dbraw/zinc/15/25/15/557152515.db2.gz VMSZIZZFUSRMGY-DEOSSOPVSA-N 0 0 445.563 5.031 50 30 IKEARN C/N=C1\S/C(=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C ZINC000024692044 557158773 /nfs/dbraw/zinc/15/87/73/557158773.db2.gz BFYQUYGGYFENII-PNTLFUMMSA-N 0 0 447.604 5.684 50 30 IKEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095719242 557160272 /nfs/dbraw/zinc/16/02/72/557160272.db2.gz NKAMGQZDVMQEJL-UHFFFAOYSA-N 0 0 446.100 6.182 50 30 IKEARN CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)CC#N)cc2)c(C(C)(C)CC)c1 ZINC000003154747 557166675 /nfs/dbraw/zinc/16/66/75/557166675.db2.gz IRTNSZMWECNFTP-UHFFFAOYSA-N 0 0 434.580 6.176 50 30 IKEARN COC(=O)CSc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)c1C#N ZINC000000754735 557168993 /nfs/dbraw/zinc/16/89/93/557168993.db2.gz LLKONRXDLZXFHD-UHFFFAOYSA-N 0 0 445.363 5.376 50 30 IKEARN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)c1cn(C)c2ccccc12 ZINC000009095956 557181820 /nfs/dbraw/zinc/18/18/20/557181820.db2.gz FGLPTMSJCPRGGP-UHFFFAOYSA-N 0 0 446.576 5.127 50 30 IKEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009306097 557186383 /nfs/dbraw/zinc/18/63/83/557186383.db2.gz ULIVRNIYKZZGTF-UHFFFAOYSA-N 0 0 430.961 5.072 50 30 IKEARN CC(C)c1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000100822168 557188580 /nfs/dbraw/zinc/18/85/80/557188580.db2.gz XBEZSWZEZQMKHC-VYIQYICTSA-N 0 0 430.529 5.180 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100833339 557191033 /nfs/dbraw/zinc/19/10/33/557191033.db2.gz IKKFUOGNXFMIHN-NKFKGCMQSA-N 0 0 439.646 7.140 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000100851705 557191729 /nfs/dbraw/zinc/19/17/29/557191729.db2.gz KOMWUKLLSHXKFC-JWGURIENSA-N 0 0 443.609 6.971 50 30 IKEARN CCCCCCCCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@H](C(C)C)N21 ZINC000100925077 557202384 /nfs/dbraw/zinc/20/23/84/557202384.db2.gz ZZYUFMXUSJRQFB-FQEVSTJZSA-N 0 0 431.602 5.412 50 30 IKEARN CCCCCCCCCCCCS[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000100932955 557203421 /nfs/dbraw/zinc/20/34/21/557203421.db2.gz NJFWYAAGQUJNNQ-HXUWFJFHSA-N 0 0 444.468 7.279 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000792611 557203499 /nfs/dbraw/zinc/20/34/99/557203499.db2.gz TZQLJEPCNXUWFA-HFZDXXHNSA-N 0 0 442.559 5.319 50 30 IKEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OC(C)C ZINC000000795935 557204387 /nfs/dbraw/zinc/20/43/87/557204387.db2.gz ZFOFAAIUTXMQGR-UHFFFAOYSA-N 0 0 429.944 5.227 50 30 IKEARN CCCCCCCCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000101000003 557212222 /nfs/dbraw/zinc/21/22/22/557212222.db2.gz HMIYTFZPSNTEIO-VZCXRCSSSA-N 0 0 447.666 6.352 50 30 IKEARN Cc1ccc(S(=O)(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000025504483 557212406 /nfs/dbraw/zinc/21/24/06/557212406.db2.gz DGSFTVYWFLOFEW-JVWAILMASA-N 0 0 448.519 5.179 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc(Cl)cc4)c3c2C1 ZINC000025559740 557214356 /nfs/dbraw/zinc/21/43/56/557214356.db2.gz AMFYFSVVIFQCJF-JZNDDVEWSA-N 0 0 427.017 6.722 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4Cl)c3c2C1 ZINC000025559721 557214429 /nfs/dbraw/zinc/21/44/29/557214429.db2.gz LFXXQLWGGFPIDY-HHSJQWSCSA-N 0 0 447.435 6.985 50 30 IKEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)c1cc(-c2cccs2)nc2ccccc21 ZINC000101042173 557214969 /nfs/dbraw/zinc/21/49/69/557214969.db2.gz GXSIVPKTADESPB-DEDYPNTBSA-N 0 0 426.497 5.062 50 30 IKEARN Clc1ccc(-c2csc3ncnc(N=NCc4c(Cl)cccc4Cl)c23)cc1 ZINC000025580131 557215924 /nfs/dbraw/zinc/21/59/24/557215924.db2.gz VBHLGSXYRJOECY-ZNLRHDTNSA-N 0 0 433.751 6.765 50 30 IKEARN CC(C)CC(=O)N[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000025580136 557215987 /nfs/dbraw/zinc/21/59/87/557215987.db2.gz UYHXWYVNRQDRFM-BBMHEYIBSA-N 0 0 442.774 5.370 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)cc(Cl)c1OC ZINC000100052421 557217559 /nfs/dbraw/zinc/21/75/59/557217559.db2.gz CTLPRDBXNZAWOG-SFHVURJKSA-N 0 0 438.351 5.169 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccccc1 ZINC000100062088 557220398 /nfs/dbraw/zinc/22/03/98/557220398.db2.gz NCUQQABARUJCAN-CFEZCKOSSA-N 0 0 426.541 6.056 50 30 IKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000101069934 557223656 /nfs/dbraw/zinc/22/36/56/557223656.db2.gz PYMUSMSFXJNWAN-JBCNATCCSA-N 0 0 448.316 5.384 50 30 IKEARN CCN1C/C(=C\c2cc(Cl)ccc2Cl)C(=O)/C(=C/c2cc(Cl)ccc2Cl)C1 ZINC000025761901 557224756 /nfs/dbraw/zinc/22/47/56/557224756.db2.gz FSGWPDVVSDLBFA-BGPOSVGRSA-N 0 0 441.185 6.672 50 30 IKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000097939933 557229901 /nfs/dbraw/zinc/22/99/01/557229901.db2.gz HLSMWMDNSRJBQE-KRWDZBQOSA-N 0 0 427.541 5.380 50 30 IKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097950708 557230647 /nfs/dbraw/zinc/23/06/47/557230647.db2.gz ALBQGYWPKWMBCT-INIZCTEOSA-N 0 0 438.852 5.454 50 30 IKEARN CCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)[O-] ZINC000097976941 557231272 /nfs/dbraw/zinc/23/12/72/557231272.db2.gz SZHBFCKBGNYQNP-UHFFFAOYSA-O 0 0 440.777 8.750 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)c1 ZINC000098021534 557232302 /nfs/dbraw/zinc/23/23/02/557232302.db2.gz CLXMMDGPNTYLCG-RUZDIDTESA-N 0 0 440.609 6.163 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(OC)cc2)c1 ZINC000098021535 557232309 /nfs/dbraw/zinc/23/23/09/557232309.db2.gz CLXMMDGPNTYLCG-VWLOTQADSA-N 0 0 440.609 6.163 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2Cl)n1 ZINC000018043502 557234366 /nfs/dbraw/zinc/23/43/66/557234366.db2.gz PXSINBYKIFFTSF-FQEVSTJZSA-N 0 0 442.346 5.303 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000018107298 557237260 /nfs/dbraw/zinc/23/72/60/557237260.db2.gz WODPAPKCXDYOQJ-XRHLQHRESA-N 0 0 444.531 6.354 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018107741 557237310 /nfs/dbraw/zinc/23/73/10/557237310.db2.gz QZJRQBFNIKGYNQ-QFIPXVFZSA-N 0 0 425.370 6.288 50 30 IKEARN Brc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000011991688 557237861 /nfs/dbraw/zinc/23/78/61/557237861.db2.gz HIGOMBORCGEUHT-DJKKODMXSA-N 0 0 437.160 5.781 50 30 IKEARN CCN(CC)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100034327 557238343 /nfs/dbraw/zinc/23/83/43/557238343.db2.gz CPMIXIKPSVXRPS-QHCPKHFHSA-N 0 0 439.596 5.392 50 30 IKEARN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000100035592 557238347 /nfs/dbraw/zinc/23/83/47/557238347.db2.gz BJKOPLOZQDQIOT-QQDRUZQMSA-N 0 0 440.568 5.975 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2F)cc1 ZINC000100035058 557238381 /nfs/dbraw/zinc/23/83/81/557238381.db2.gz UGPNMLYSRWCZSO-UHFFFAOYSA-N 0 0 430.564 6.546 50 30 IKEARN CCN(CC)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100034331 557238389 /nfs/dbraw/zinc/23/83/89/557238389.db2.gz CPMIXIKPSVXRPS-HSZRJFAPSA-N 0 0 439.596 5.392 50 30 IKEARN CCCCCCCOc1ccc(CNc2cccc(OCCCc3ccccc3)c2)cc1 ZINC000100037660 557238563 /nfs/dbraw/zinc/23/85/63/557238563.db2.gz POZAUMQCKDJDJO-UHFFFAOYSA-N 0 0 431.620 7.660 50 30 IKEARN CCCCCCCOc1cccc(NCc2ccccc2OCCOc2ccccc2)c1 ZINC000100039074 557238571 /nfs/dbraw/zinc/23/85/71/557238571.db2.gz OOZPCTJFCHVOQI-UHFFFAOYSA-N 0 0 433.592 7.106 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000100058912 557239119 /nfs/dbraw/zinc/23/91/19/557239119.db2.gz KJGSPWJKVJURLX-NRFANRHFSA-N 0 0 426.601 7.097 50 30 IKEARN CCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O ZINC000100071210 557239867 /nfs/dbraw/zinc/23/98/67/557239867.db2.gz VXTRPEFUPWORNH-QFIPXVFZSA-N 0 0 448.692 6.241 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000100127283 557241636 /nfs/dbraw/zinc/24/16/36/557241636.db2.gz NFVGQWMKSVJSOC-UZUQRXQVSA-N 0 0 437.561 5.015 50 30 IKEARN CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(O)c1 ZINC000018173442 557245660 /nfs/dbraw/zinc/24/56/60/557245660.db2.gz UOPLVZLFMIOCSJ-WPWMEQJKSA-N 0 0 447.604 6.182 50 30 IKEARN CCCCCCCCCCCCCCCCCCc1ccc2cc(/C(C)=N/O)ccc2c1 ZINC000100166950 557245767 /nfs/dbraw/zinc/24/57/67/557245767.db2.gz NWPNYXRNIAURSB-GKPLWNPISA-N 0 0 437.712 9.842 50 30 IKEARN N#Cc1c(/N=C/c2ccc(Cl)c(Cl)c2)sc(-c2ccccc2)c1-c1ccccc1 ZINC000018182569 557246681 /nfs/dbraw/zinc/24/66/81/557246681.db2.gz ISOPHEIAMRARBG-RWPZCVJISA-N 0 0 433.363 8.011 50 30 IKEARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000018197551 557247339 /nfs/dbraw/zinc/24/73/39/557247339.db2.gz MQOONJYZPNMPEZ-CPJLOUKISA-N 0 0 447.556 5.732 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000018195191 557247677 /nfs/dbraw/zinc/24/76/77/557247677.db2.gz XMGNDLKGRYGTTB-BZQUYTCOSA-N 0 0 440.524 5.834 50 30 IKEARN Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1 ZINC000018200822 557249469 /nfs/dbraw/zinc/24/94/69/557249469.db2.gz DWXRYRSWBFAUSL-NYHFZMIOSA-N 0 0 443.528 5.087 50 30 IKEARN O=C1c2ccccc2C(=O)C1=C1[C@@H](c2cccs2)C(c2ccccc2)=NN1c1ccccc1 ZINC000100227587 557249504 /nfs/dbraw/zinc/24/95/04/557249504.db2.gz WMKKIFTVEITJDE-QHCPKHFHSA-N 0 0 446.531 6.090 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000018197986 557250020 /nfs/dbraw/zinc/25/00/20/557250020.db2.gz URQJYBWTKMYXPV-XDHUDOTRSA-N 0 0 440.528 5.548 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000018197982 557250065 /nfs/dbraw/zinc/25/00/65/557250065.db2.gz URQJYBWTKMYXPV-BXKMTCNYSA-N 0 0 440.528 5.548 50 30 IKEARN CC(C)c1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccn4)nn32)cc1 ZINC000018198799 557250813 /nfs/dbraw/zinc/25/08/13/557250813.db2.gz XWZTXNDNNNHSMY-JOCHJYFZSA-N 0 0 431.565 5.111 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@H]3c2ccccc2Cl)cc1OC ZINC000018199317 557251167 /nfs/dbraw/zinc/25/11/67/557251167.db2.gz FGWIEEWJNLXGFK-NPMXOYFQSA-N 0 0 449.938 5.347 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000027019119 557254556 /nfs/dbraw/zinc/25/45/56/557254556.db2.gz DZDRFHBVBBHMHP-PTGBLXJZSA-N 0 0 426.516 6.106 50 30 IKEARN COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C ZINC000100286490 557256586 /nfs/dbraw/zinc/25/65/86/557256586.db2.gz BAQGGTWHWFIMHJ-YCJCGMCGSA-N 0 0 428.557 5.676 50 30 IKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c2ccccc12 ZINC000100349413 557258377 /nfs/dbraw/zinc/25/83/77/557258377.db2.gz OORKKSKEWRJWDI-DEOSSOPVSA-N 0 0 448.559 5.708 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000100418550 557260128 /nfs/dbraw/zinc/26/01/28/557260128.db2.gz OJVLJJZJOORUKG-LJQANCHMSA-N 0 0 434.879 5.186 50 30 IKEARN O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100437170 557261437 /nfs/dbraw/zinc/26/14/37/557261437.db2.gz GPOYDCYYMULJQP-MKRFAJQFSA-N 0 0 428.513 5.088 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C/c1cccs1 ZINC000100490958 557262327 /nfs/dbraw/zinc/26/23/27/557262327.db2.gz HVGXDJIYCGJBDN-LWDYBMGMSA-N 0 0 448.547 5.785 50 30 IKEARN Brc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 ZINC000100511651 557263306 /nfs/dbraw/zinc/26/33/06/557263306.db2.gz BPSQKYICWHFBQG-CVKSISIWSA-N 0 0 443.300 7.268 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccc(Cl)cc1 ZINC000100529861 557263696 /nfs/dbraw/zinc/26/36/96/557263696.db2.gz CFFBXGRDDPXUES-AWNHJDIYSA-N 0 0 436.389 5.987 50 30 IKEARN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1 ZINC000027533681 557264390 /nfs/dbraw/zinc/26/43/90/557264390.db2.gz ULXRMSDTWKSGHD-LZYBPNLTSA-N 0 0 442.846 5.268 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000027547481 557265016 /nfs/dbraw/zinc/26/50/16/557265016.db2.gz YGEOQAWOJJVWSR-NRFANRHFSA-N 0 0 444.428 5.451 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000027547486 557265029 /nfs/dbraw/zinc/26/50/29/557265029.db2.gz IBUCDDIHJKAJBX-NRFANRHFSA-N 0 0 444.428 5.451 50 30 IKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(Br)cc3)o2)CC1 ZINC000027562431 557265557 /nfs/dbraw/zinc/26/55/57/557265557.db2.gz YYVGHWGILIRYPF-ZVHZXABRSA-N 0 0 429.362 6.219 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000101285106 557267677 /nfs/dbraw/zinc/26/76/77/557267677.db2.gz NCCJNVWWEFQHKA-QHCPKHFHSA-N 0 0 437.971 6.492 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000101286270 557267822 /nfs/dbraw/zinc/26/78/22/557267822.db2.gz GULLFLAQKKWZIN-DEOSSOPVSA-N 0 0 435.543 6.368 50 30 IKEARN CCCCCCCCCCCCSC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000100659887 557268810 /nfs/dbraw/zinc/26/88/10/557268810.db2.gz LCOXIBFUFALKBG-QHCPKHFHSA-N 0 0 425.682 7.810 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000000823851 557269118 /nfs/dbraw/zinc/26/91/18/557269118.db2.gz NUARTGASMSAXFJ-ZVHZXABRSA-N 0 0 436.309 5.258 50 30 IKEARN C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000100685927 557269334 /nfs/dbraw/zinc/26/93/34/557269334.db2.gz GTMJEAVXRNJUAA-NQIIRXRSSA-N 0 0 429.383 5.193 50 30 IKEARN CCCCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000100691673 557270159 /nfs/dbraw/zinc/27/01/59/557270159.db2.gz WDZSLALZWSXTBV-UHFFFAOYSA-N 0 0 445.673 5.806 50 30 IKEARN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100717216 557271125 /nfs/dbraw/zinc/27/11/25/557271125.db2.gz IXJOWDDYUDDZQR-GOTSBPSXSA-N 0 0 445.544 5.250 50 30 IKEARN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)Nc1ccccc1-2 ZINC000100792566 557276227 /nfs/dbraw/zinc/27/62/27/557276227.db2.gz QCUABLRJAKZXDL-HXUWFJFHSA-N 0 0 426.611 6.474 50 30 IKEARN CCCCCCCCCCCCCCCc1cc(Cl)nc2c(OC)ccc(OC)c12 ZINC000100853412 557277258 /nfs/dbraw/zinc/27/72/58/557277258.db2.gz GKLXRCHLRFYKTO-UHFFFAOYSA-N 0 0 434.064 8.539 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000100856901 557277430 /nfs/dbraw/zinc/27/74/30/557277430.db2.gz UBHLYSMPMVPWBL-UHFFFAOYSA-N 0 0 445.692 8.028 50 30 IKEARN CCOc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000014009644 557277529 /nfs/dbraw/zinc/27/75/29/557277529.db2.gz DYWJKEXIFYRURG-BUVRLJJBSA-N 0 0 437.499 5.342 50 30 IKEARN COc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1OC ZINC000101092613 557282773 /nfs/dbraw/zinc/28/27/73/557282773.db2.gz LHAIOIGEDVOXSV-UHFFFAOYSA-N 0 0 425.406 5.899 50 30 IKEARN N#Cc1ccc(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000023323292 557285824 /nfs/dbraw/zinc/28/58/24/557285824.db2.gz MHYINCZFUZIMLG-UHFFFAOYSA-N 0 0 430.573 5.259 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000014118779 557307053 /nfs/dbraw/zinc/30/70/53/557307053.db2.gz LVWQJOWAUDWHKE-UHFFFAOYSA-N 0 0 439.540 5.870 50 30 IKEARN CCCCCCCNc1cccc2c1C(=O)c1cccc(NCCCCCCC)c1C2=O ZINC000102055778 557309573 /nfs/dbraw/zinc/30/95/73/557309573.db2.gz FMLYBQQOIZBSCZ-UHFFFAOYSA-N 0 0 434.624 7.227 50 30 IKEARN C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)cc1)c1ccccc1 ZINC000002896349 557310725 /nfs/dbraw/zinc/31/07/25/557310725.db2.gz NTESRUUBWJLLNI-UHFFFAOYSA-N 0 0 446.553 7.964 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)COc1c(C)cccc1C ZINC000102033131 557312114 /nfs/dbraw/zinc/31/21/14/557312114.db2.gz ZSWMWQFBCJJIDK-UHFFFAOYSA-N 0 0 431.705 8.060 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000002838992 557312580 /nfs/dbraw/zinc/31/25/80/557312580.db2.gz BHHMPXQOOHBKEW-UHFFFAOYSA-N 0 0 438.767 6.066 50 30 IKEARN CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 ZINC000102070688 557312622 /nfs/dbraw/zinc/31/26/22/557312622.db2.gz RFYWTVJMIWMGQX-UHFFFAOYSA-N 0 0 434.536 6.442 50 30 IKEARN C=CCOc1c(Br)cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OC ZINC000002850217 557313077 /nfs/dbraw/zinc/31/30/77/557313077.db2.gz TWWAENLCNDYZKC-SXGWCWSVSA-N 0 0 448.700 5.020 50 30 IKEARN CCCCCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000004826317 557313482 /nfs/dbraw/zinc/31/34/82/557313482.db2.gz LQPOYLDVQBSJKO-CDTUYSNOSA-N 0 0 432.604 7.655 50 30 IKEARN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 ZINC000014186420 557313726 /nfs/dbraw/zinc/31/37/26/557313726.db2.gz GQBVBKBHCIUGTM-UHFFFAOYSA-N 0 0 434.590 5.303 50 30 IKEARN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2c(c1)OCCO2 ZINC000100117647 557315184 /nfs/dbraw/zinc/31/51/84/557315184.db2.gz VHXBRGQYPOBSKD-FRHWEDRMSA-N 0 0 438.527 5.414 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000103792399 557318543 /nfs/dbraw/zinc/31/85/43/557318543.db2.gz VKSDRAQNEXCQDF-UTXMNRISSA-N 0 0 425.488 7.116 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102401904 557321129 /nfs/dbraw/zinc/32/11/29/557321129.db2.gz MXMUOWKXALQQEG-MRJHHRETSA-N 0 0 432.545 5.510 50 30 IKEARN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O ZINC000002834132 557324536 /nfs/dbraw/zinc/32/45/36/557324536.db2.gz RFYWNYOHPGQXLR-ZDLGFXPLSA-N 0 0 431.966 5.497 50 30 IKEARN CCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000000832174 557327943 /nfs/dbraw/zinc/32/79/43/557327943.db2.gz UGYIHEJMGSWRPB-RUZDIDTESA-N 0 0 445.559 5.433 50 30 IKEARN O=C(Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1ccncc1 ZINC000011026151 557329214 /nfs/dbraw/zinc/32/92/14/557329214.db2.gz FHVZUCODTNXTFJ-UHFFFAOYSA-N 0 0 432.242 5.138 50 30 IKEARN C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1C[NH+]1CCCCCC1 ZINC000247840528 557330644 /nfs/dbraw/zinc/33/06/44/557330644.db2.gz NRXSHTMQYCWAJB-BJTFNZNYSA-N 0 0 441.656 6.540 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102483588 557330794 /nfs/dbraw/zinc/33/07/94/557330794.db2.gz PBFONPZZAZUSLC-AYWGPLOBSA-N 0 0 426.516 5.314 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102488880 557331932 /nfs/dbraw/zinc/33/19/32/557331932.db2.gz LKMVSRQHPNWMJA-PGVNHDJNSA-N 0 0 444.512 5.441 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000033288398 557332073 /nfs/dbraw/zinc/33/20/73/557332073.db2.gz YMCXLLPIHSKVQS-CUYJMHBOSA-N 0 0 437.524 5.167 50 30 IKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc32)C[C@@H](c2ccccc2)CC1=O ZINC000100139603 557333222 /nfs/dbraw/zinc/33/32/22/557333222.db2.gz JXMYHPMGFACJMR-OAQYLSRUSA-N 0 0 428.576 5.769 50 30 IKEARN CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc(I)c1OC ZINC000033400335 557333911 /nfs/dbraw/zinc/33/39/11/557333911.db2.gz HERMCXVZVCSPNV-MHWRWJLKSA-N 0 0 438.286 5.028 50 30 IKEARN CCCCC(NCCc1c(C)[nH]c2ccc(C)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140297 557333938 /nfs/dbraw/zinc/33/39/38/557333938.db2.gz ANGAHHILOTWVEP-UHFFFAOYSA-N 0 0 442.603 6.077 50 30 IKEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc32)C[C@@H](c2ccccc2)CC1=O ZINC000100140140 557333969 /nfs/dbraw/zinc/33/39/69/557333969.db2.gz WVLDWJLUIFFIDW-HXUWFJFHSA-N 0 0 444.575 5.387 50 30 IKEARN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 ZINC000033375693 557334096 /nfs/dbraw/zinc/33/40/96/557334096.db2.gz MBEVVNJRKJPSEU-RGVLZGJSSA-N 0 0 443.355 6.762 50 30 IKEARN C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@H]1c1ccc(OC)cc1 ZINC000033453842 557335515 /nfs/dbraw/zinc/33/55/15/557335515.db2.gz KUDIFHJEAAEZSH-ZOPPNSLZSA-N 0 0 447.604 5.361 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccc(C)o4)C(=O)O3)cc2)cc1 ZINC000100166127 557340272 /nfs/dbraw/zinc/34/02/72/557340272.db2.gz WVIVSZMKIGRAQS-OOAXWGSJSA-N 0 0 441.571 7.503 50 30 IKEARN N#CCc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023332325 557344596 /nfs/dbraw/zinc/34/45/96/557344596.db2.gz UPSHCNCZQNNDHQ-VWLOTQADSA-N 0 0 444.966 5.345 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c(Cl)cc3Cl)s2)cc1 ZINC000014634686 557346074 /nfs/dbraw/zinc/34/60/74/557346074.db2.gz RWEFLXZZSAVNPB-UHFFFAOYSA-N 0 0 439.324 5.400 50 30 IKEARN CCCCn1c(/N=C/c2ccc(F)c(F)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176655 557347638 /nfs/dbraw/zinc/34/76/38/557347638.db2.gz DJDWHUJXFHGUDB-BIZUNTBRSA-N 0 0 439.509 7.523 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102541282 557348106 /nfs/dbraw/zinc/34/81/06/557348106.db2.gz KHRNUCZVOCCLJL-MRJHHRETSA-N 0 0 426.497 5.231 50 30 IKEARN CCCN(CC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 ZINC000023335555 557348275 /nfs/dbraw/zinc/34/82/75/557348275.db2.gz UJJDJRSXWFOYCL-UHFFFAOYSA-N 0 0 427.592 6.018 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000102509223 557349299 /nfs/dbraw/zinc/34/92/99/557349299.db2.gz CULBWZKLZZUWJE-MOBKVPTQSA-N 0 0 440.524 5.539 50 30 IKEARN C=CCCC(=O)Nc1c(-c2ccc(OC)cc2)cn(Cc2ccccc2)c1C(=O)OCC ZINC000023426846 557353668 /nfs/dbraw/zinc/35/36/68/557353668.db2.gz NBSSRHZPGVURPF-UHFFFAOYSA-N 0 0 432.520 5.293 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527988 557354120 /nfs/dbraw/zinc/35/41/20/557354120.db2.gz IEELTGDAKUDOCY-MRJHHRETSA-N 0 0 441.955 5.096 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000102589451 557356633 /nfs/dbraw/zinc/35/66/33/557356633.db2.gz JAXAOKXPROZBAT-MOBKVPTQSA-N 0 0 433.891 5.283 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102602119 557357834 /nfs/dbraw/zinc/35/78/34/557357834.db2.gz WFFZWQJUYCGRDV-WOOAAIBNSA-N 0 0 428.271 5.208 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1 ZINC000102553296 557358418 /nfs/dbraw/zinc/35/84/18/557358418.db2.gz SQPCACGGUYLTEZ-MRJHHRETSA-N 0 0 448.316 5.384 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102613907 557359146 /nfs/dbraw/zinc/35/91/46/557359146.db2.gz GRDAQYUSBOMGDQ-MRJHHRETSA-N 0 0 438.310 5.928 50 30 IKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102621432 557359626 /nfs/dbraw/zinc/35/96/26/557359626.db2.gz MEOYOBMIGCKVMI-ZHHPLPSFSA-N 0 0 446.503 5.178 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl ZINC000102623805 557359942 /nfs/dbraw/zinc/35/99/42/557359942.db2.gz BINWNJFDVAGUQV-MRJHHRETSA-N 0 0 448.862 5.183 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl ZINC000102623802 557360093 /nfs/dbraw/zinc/36/00/93/557360093.db2.gz BINWNJFDVAGUQV-JBCNATCCSA-N 0 0 448.862 5.183 50 30 IKEARN N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(Br)cc2)c1 ZINC000023460578 557360561 /nfs/dbraw/zinc/36/05/61/557360561.db2.gz ANIBIOVKHVDNOG-UHFFFAOYSA-N 0 0 443.304 5.426 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102609751 557360961 /nfs/dbraw/zinc/36/09/61/557360961.db2.gz CKNKAYBXZNYPSZ-MRJHHRETSA-N 0 0 448.862 5.183 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000102693928 557364687 /nfs/dbraw/zinc/36/46/87/557364687.db2.gz FBLPMMQKFOSGMI-YDJIHCHBSA-N 0 0 448.500 5.288 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102696608 557364888 /nfs/dbraw/zinc/36/48/88/557364888.db2.gz JJRZHGJEUZJJCB-JBCNATCCSA-N 0 0 444.512 5.639 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 ZINC000524729925 557368725 /nfs/dbraw/zinc/36/87/25/557368725.db2.gz OMHSTCAJNFYUBR-DHJMFLCTSA-N 0 0 426.468 5.573 50 30 biogenic IKEARN Clc1cccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c1Cl ZINC000003113200 557372615 /nfs/dbraw/zinc/37/26/15/557372615.db2.gz BDYOJMOVYDZSKP-BHGWPJFGSA-N 0 0 446.131 7.315 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102714328 557374593 /nfs/dbraw/zinc/37/45/93/557374593.db2.gz FFAXGXFFLXBTER-JBCNATCCSA-N 0 0 434.467 5.046 50 30 IKEARN CCCCCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000102771003 557381782 /nfs/dbraw/zinc/38/17/82/557381782.db2.gz PKUTXLRDQXESKN-UHFFFAOYSA-N 0 0 441.641 6.026 50 30 IKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(OC)c(OC)c(OC)c1 ZINC000102773131 557381913 /nfs/dbraw/zinc/38/19/13/557381913.db2.gz VCPYHIBQBRVIDY-UHFFFAOYSA-N 0 0 439.556 5.142 50 30 IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102804630 557386366 /nfs/dbraw/zinc/38/63/66/557386366.db2.gz BIBJWBBIWYIXEY-NHFXJNLRSA-N 0 0 447.560 5.079 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102804586 557386462 /nfs/dbraw/zinc/38/64/62/557386462.db2.gz FLFRERCQPCCDRT-JBCNATCCSA-N 0 0 444.512 5.386 50 30 IKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000003113232 557390595 /nfs/dbraw/zinc/39/05/95/557390595.db2.gz HKTXNUOZCVVQAC-BRJLIKDPSA-N 0 0 425.271 6.339 50 30 IKEARN CCOC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccnc3)sc3c2CCCCC3)cc1 ZINC000101154136 557392469 /nfs/dbraw/zinc/39/24/69/557392469.db2.gz AZXGPZNTHBRUJB-JVWAILMASA-N 0 0 447.560 5.592 50 30 IKEARN CCCCCCCCCOC(=O)c1c(N)n(CCCOCC)c2nc3ccccc3nc21 ZINC000102818024 557393333 /nfs/dbraw/zinc/39/33/33/557393333.db2.gz KNQUGLFZBOQCHP-UHFFFAOYSA-N 0 0 440.588 5.501 50 30 IKEARN CCCCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000102818243 557393363 /nfs/dbraw/zinc/39/33/63/557393363.db2.gz GRAWETCQDORAGY-UHFFFAOYSA-N 0 0 444.579 6.122 50 30 IKEARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000102826869 557393951 /nfs/dbraw/zinc/39/39/51/557393951.db2.gz HXLGWAHSJMMHMR-UHFFFAOYSA-N 0 0 433.682 5.158 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102873919 557396243 /nfs/dbraw/zinc/39/62/43/557396243.db2.gz DDQXZYQKEWLMJM-MRJHHRETSA-N 0 0 444.487 5.370 50 30 IKEARN COc1ccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000033457271 557399281 /nfs/dbraw/zinc/39/92/81/557399281.db2.gz NAAZRSQSGGMPNQ-CPNJWEJPSA-N 0 0 445.471 5.286 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102858717 557399482 /nfs/dbraw/zinc/39/94/82/557399482.db2.gz DZUPHVCNUFEGNO-HOGKFDNTSA-N 0 0 448.906 5.150 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102859688 557399755 /nfs/dbraw/zinc/39/97/55/557399755.db2.gz UWMZZDQZVQILKT-MRJHHRETSA-N 0 0 448.862 5.183 50 30 IKEARN FC(F)(F)c1cccc(NN=C2c3ccccc3N=C2SCc2cccc(Cl)c2)c1 ZINC000100408126 557401870 /nfs/dbraw/zinc/40/18/70/557401870.db2.gz QJWOAXFZUNRGTI-BRPDVVIDSA-N 0 0 445.897 7.152 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102865453 557404506 /nfs/dbraw/zinc/40/45/06/557404506.db2.gz OQGFORKXTOCTTI-JBCNATCCSA-N 0 0 444.487 5.370 50 30 IKEARN CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913454 557404943 /nfs/dbraw/zinc/40/49/43/557404943.db2.gz GGQIDQJAIYDGEX-FKRGKKQFSA-N 0 0 427.585 5.436 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102876752 557406338 /nfs/dbraw/zinc/40/63/38/557406338.db2.gz TUTRMMMLFJNFFY-ZHHPLPSFSA-N 0 0 426.516 5.001 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102876972 557406618 /nfs/dbraw/zinc/40/66/18/557406618.db2.gz TUGQIINDJIIWLG-JBCNATCCSA-N 0 0 438.310 5.928 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102877176 557406729 /nfs/dbraw/zinc/40/67/29/557406729.db2.gz DNSKRIVHMVOPGI-GHNGSUTGSA-N 0 0 448.744 5.324 50 30 IKEARN CCCCCCCCCCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100476869 557408756 /nfs/dbraw/zinc/40/87/56/557408756.db2.gz HEXFYLXFSPRCPS-UHFFFAOYSA-N 0 0 428.485 6.405 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1snnc1C(=O)OCC ZINC000100479111 557409047 /nfs/dbraw/zinc/40/90/47/557409047.db2.gz JJZJRHTZARXJEI-UHFFFAOYSA-N 0 0 439.666 6.915 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000100479385 557409125 /nfs/dbraw/zinc/40/91/25/557409125.db2.gz LRZMINYCHKGPFT-HNDIIABASA-N 0 0 443.503 5.829 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000102928765 557410695 /nfs/dbraw/zinc/41/06/95/557410695.db2.gz CWFYZPLFQJOJOV-LFVOPCPISA-N 0 0 428.271 5.208 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102929401 557410710 /nfs/dbraw/zinc/41/07/10/557410710.db2.gz NOTJRJLLRHSPHC-ZHHPLPSFSA-N 0 0 446.934 5.480 50 30 IKEARN Clc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000100492692 557410851 /nfs/dbraw/zinc/41/08/51/557410851.db2.gz ZFQPOMJPQNFCKO-YAGSLNJISA-N 0 0 445.349 8.287 50 30 IKEARN O=C(/C=C\c1cccs1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000033579204 557412764 /nfs/dbraw/zinc/41/27/64/557412764.db2.gz ARKMGMHJSPBTRC-NTMALXAHSA-N 0 0 439.341 5.719 50 30 IKEARN CCCCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000102996009 557414899 /nfs/dbraw/zinc/41/48/99/557414899.db2.gz UOUOFESPRJTXGB-HSZRJFAPSA-N 0 0 440.534 7.187 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(C)(C)C ZINC000102990897 557415699 /nfs/dbraw/zinc/41/56/99/557415699.db2.gz LORSUNNIEQHUSI-UHFFFAOYSA-N 0 0 442.669 6.265 50 30 IKEARN CCCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000102992136 557415750 /nfs/dbraw/zinc/41/57/50/557415750.db2.gz ANPUUWJHMUSQLG-UHFFFAOYSA-N 0 0 442.547 5.464 50 30 IKEARN CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103067748 557418077 /nfs/dbraw/zinc/41/80/77/557418077.db2.gz QTYNXWDCVBVOKC-DIBXZPPDSA-N 0 0 446.620 6.612 50 30 IKEARN O=c1c(C=[NH+]Cc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000103145666 557423206 /nfs/dbraw/zinc/42/32/06/557423206.db2.gz BABRVIJCSMJRKH-VROXFSQNSA-N 0 0 436.846 5.067 50 30 IKEARN C=C(C)C(=O)N=c1ccc2c3ccc(NC(=O)C(=C)C)cc3c(-c3ccccc3)n(CC)c-2c1 ZINC000526056787 557425626 /nfs/dbraw/zinc/42/56/26/557425626.db2.gz UMMNMTSCMHDYFL-UHFFFAOYSA-N 0 0 449.554 5.951 50 30 IKEARN O=C1C=CC(=NNc2ccc(Cl)cc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000103431242 557437225 /nfs/dbraw/zinc/43/72/25/557437225.db2.gz OMUUILJZYRYNHW-BYQCITFHSA-N 0 0 442.331 7.170 50 30 IKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=N)S1 ZINC000103680329 557440067 /nfs/dbraw/zinc/44/00/67/557440067.db2.gz ZCZZIURTVXSTSD-ZYEZLKIFSA-N 0 0 425.602 5.512 50 30 IKEARN C/N=C1/S/C(=C/c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C ZINC000103684611 557440252 /nfs/dbraw/zinc/44/02/52/557440252.db2.gz BFYQUYGGYFENII-VQRWUSQMSA-N 0 0 447.604 5.684 50 30 IKEARN Cc1cc(C)c(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 ZINC000103746491 557441298 /nfs/dbraw/zinc/44/12/98/557441298.db2.gz XEGZIPBMXLGSNW-NCELDCMTSA-N 0 0 436.558 5.044 50 30 IKEARN Cc1cccc(S/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000103924416 557442605 /nfs/dbraw/zinc/44/26/05/557442605.db2.gz BOFUPXFEXBFWCH-XDOYNYLZSA-N 0 0 446.391 5.685 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000104155750 557451403 /nfs/dbraw/zinc/45/14/03/557451403.db2.gz JZRVPEZFYKMXSK-KOSHJBKYSA-N 0 0 437.926 6.876 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]23)cc1 ZINC000106336415 557528548 /nfs/dbraw/zinc/52/85/48/557528548.db2.gz LRZMINYCHKGPFT-YREBHDEESA-N 0 0 443.503 5.829 50 30 IKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000003169685 557531565 /nfs/dbraw/zinc/53/15/65/557531565.db2.gz YUUXIUNZOKQLPF-VULFUBBASA-N 0 0 443.300 6.867 50 30 IKEARN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000003169599 557531642 /nfs/dbraw/zinc/53/16/42/557531642.db2.gz DIKPLWOAHJUXNA-HRLJDNPUSA-N 0 0 448.276 6.581 50 30 IKEARN CC(=O)N(c1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1 ZINC000106920945 557533226 /nfs/dbraw/zinc/53/32/26/557533226.db2.gz QBXBEBVLSQZLFW-RPBOFIJWSA-N 0 0 444.604 5.716 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2C)cc1C ZINC000044859300 557538548 /nfs/dbraw/zinc/53/85/48/557538548.db2.gz IQQYHGCCJXZQCS-XMMPIXPASA-N 0 0 426.520 5.083 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@H]2c1ccccc1 ZINC000044973583 557541749 /nfs/dbraw/zinc/54/17/49/557541749.db2.gz HUVPILIJOWCQGE-FQEVSTJZSA-N 0 0 442.588 5.552 50 30 IKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 ZINC000045940371 557548813 /nfs/dbraw/zinc/54/88/13/557548813.db2.gz ZWKLITMFTURPIY-HXUWFJFHSA-N 0 0 442.607 6.291 50 30 IKEARN CCc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NCc2ccncc2)cc1 ZINC000045940560 557549108 /nfs/dbraw/zinc/54/91/08/557549108.db2.gz OCKWTCFZFBIOFT-UHFFFAOYSA-N 0 0 426.442 5.061 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCCCC)cc3)o2)SC1=S ZINC000002989367 557658851 /nfs/dbraw/zinc/65/88/51/557658851.db2.gz OLCIRABIBFEORJ-XMHGGMMESA-N 0 0 427.547 5.291 50 30 IKEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CCCCC3 ZINC000002956628 557677618 /nfs/dbraw/zinc/67/76/18/557677618.db2.gz MVVZSDUFIRURMH-UHFFFAOYSA-N 0 0 436.606 5.340 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O ZINC000225387394 557717400 /nfs/dbraw/zinc/71/74/00/557717400.db2.gz XSEMWQGHMGJWOD-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN C[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000226074035 557804082 /nfs/dbraw/zinc/80/40/82/557804082.db2.gz FMTLDGNAGVCGTD-PUAOIOHZSA-N 0 0 426.564 5.780 50 30 IKEARN COc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 ZINC000000851166 557830408 /nfs/dbraw/zinc/83/04/08/557830408.db2.gz JBBRUGQKFWPECL-UHFFFAOYSA-N 0 0 449.479 5.440 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000000861224 557832541 /nfs/dbraw/zinc/83/25/41/557832541.db2.gz NBBKZSFRFJSGCZ-QHCPKHFHSA-N 0 0 435.480 5.162 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1c[nH]c3ccccc31)Nc1ccccc1N2 ZINC000000861253 557832580 /nfs/dbraw/zinc/83/25/80/557832580.db2.gz SSPBPHSKZQHDGD-SOKVYYICSA-N 0 0 439.946 6.801 50 30 IKEARN O=C1c2ccccc2C(=O)C1=C/C=C/C=c1\c2cccc3cccc(c23)n1Cc1ccccc1 ZINC000685944673 557839343 /nfs/dbraw/zinc/83/93/43/557839343.db2.gz RRHDPPACGPNJNB-LKAMPELFSA-N 0 0 439.514 5.904 50 30 IKEARN N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 ZINC000000865632 557839479 /nfs/dbraw/zinc/83/94/79/557839479.db2.gz DBSYBNNTKIBHEC-CVEARBPZSA-N 0 0 445.832 5.321 50 30 IKEARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000000879516 557841264 /nfs/dbraw/zinc/84/12/64/557841264.db2.gz OJORBFXDDLUACH-UHFFFAOYSA-N 0 0 443.450 5.378 50 30 IKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000000870634 557841984 /nfs/dbraw/zinc/84/19/84/557841984.db2.gz WAFOLGULPNKPTP-UHFFFAOYSA-N 0 0 430.500 5.402 50 30 IKEARN CCOC(=O)c1c(C)c(C#N)c(SCC(=O)c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000000885458 557855624 /nfs/dbraw/zinc/85/56/24/557855624.db2.gz NCWIQPQCRSLMFJ-UHFFFAOYSA-N 0 0 446.528 5.089 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000253501159 560038855 /nfs/dbraw/zinc/03/88/55/560038855.db2.gz UOCUEIOMIAYZNI-XQQAMPDISA-N 0 0 428.613 5.468 50 30 biogenic,in-vitro IKEARN CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C(\Cl)C(F)(F)F ZINC000000607797 562918808 /nfs/dbraw/zinc/91/88/08/562918808.db2.gz ZXQYGBMAQZUVMI-KJLJINFSSA-N 0 0 449.856 6.544 50 30 in-man IKEARN CCc1nn(-c2cc(Oc3cccc4ccccc43)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000001018142 562920045 /nfs/dbraw/zinc/92/00/45/562920045.db2.gz DVXKYIJIPVPGEV-UHFFFAOYSA-N 0 0 432.487 5.291 50 30 IKEARN O=C(c1ccco1)N(/C=C1\Sc2ccccc2C1=O)c1ccc(Br)cc1 ZINC000001103132 562920501 /nfs/dbraw/zinc/92/05/01/562920501.db2.gz DALYEYYKQBDCGB-PDGQHHTCSA-N 0 0 426.291 5.519 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001240190 562921034 /nfs/dbraw/zinc/92/10/34/562921034.db2.gz WKJQIQLVPKQTTD-UHFFFAOYSA-N 0 0 432.589 5.978 50 30 biogenic IKEARN CN(C)c1cccc2c1C(=O)C=C[C@@]21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23 ZINC000001856438 562924937 /nfs/dbraw/zinc/92/49/37/562924937.db2.gz BUCXQKQWSZDMOG-NDEPHWFRSA-N 0 0 425.576 5.023 50 30 IKEARN CC1(C)Cc2c(C#N)sc(SCCOC(=O)Nc3cccc(Cl)c3)c2C(=O)C1 ZINC000002142187 562926028 /nfs/dbraw/zinc/92/60/28/562926028.db2.gz PZWYPKZFOBEQEI-UHFFFAOYSA-N 0 0 434.970 5.769 50 30 IKEARN CN(C)c1cccc2c1C(=O)C=C[C@]21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23 ZINC000002294423 562926766 /nfs/dbraw/zinc/92/67/66/562926766.db2.gz BUCXQKQWSZDMOG-MUUNZHRXSA-N 0 0 425.576 5.023 50 30 IKEARN N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1 ZINC000002429009 562927599 /nfs/dbraw/zinc/92/75/99/562927599.db2.gz YZHDZFLNWPDUAT-UHFFFAOYSA-N 0 0 433.899 5.144 50 30 IKEARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccc(C#N)cc2)cc1 ZINC000002450986 562927802 /nfs/dbraw/zinc/92/78/02/562927802.db2.gz ZZCOBZHZGHUPJB-UHFFFAOYSA-N 0 0 442.544 5.327 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000006003267 562945682 /nfs/dbraw/zinc/94/56/82/562945682.db2.gz SZBWKZHLROZHJQ-JMOBTMGKSA-N 0 0 432.560 5.831 50 30 IKEARN Cc1ccc(C(=NS(=O)(=O)c2ccc(Br)cc2)Nc2ccccc2C)cc1 ZINC000006076513 562946148 /nfs/dbraw/zinc/94/61/48/562946148.db2.gz MJNDOWNISWUYTF-UHFFFAOYSA-N 0 0 443.366 5.314 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C)c3)c2C#N)cc1 ZINC000008441112 562949382 /nfs/dbraw/zinc/94/93/82/562949382.db2.gz HVELMMJVRXZNBC-UHFFFAOYSA-N 0 0 449.579 6.635 50 30 IKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1 ZINC000008590146 562951492 /nfs/dbraw/zinc/95/14/92/562951492.db2.gz CCGAUSVHRSOZDT-UHFFFAOYSA-N 0 0 445.441 5.817 50 30 IKEARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 ZINC000008590673 562951797 /nfs/dbraw/zinc/95/17/97/562951797.db2.gz PEFAJZVEDHAXQW-UHFFFAOYSA-N 0 0 427.483 5.335 50 30 IKEARN Cc1nc(SCc2c(F)cccc2Cl)c(C#N)c(C)c1Cc1c(F)cccc1Cl ZINC000008616651 562959751 /nfs/dbraw/zinc/95/97/51/562959751.db2.gz AQQXRUGDCJVFRZ-UHFFFAOYSA-N 0 0 449.353 7.038 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1 ZINC000008830078 562964797 /nfs/dbraw/zinc/96/47/97/562964797.db2.gz YXYBNAMSWOQJQG-OPEKNORGSA-N 0 0 436.821 5.279 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000009007937 562966647 /nfs/dbraw/zinc/96/66/47/562966647.db2.gz FZEOTGVBCDNKDA-FQEVSTJZSA-N 0 0 430.485 5.289 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000009433196 562970865 /nfs/dbraw/zinc/97/08/65/562970865.db2.gz YEBLZTWALSQZMT-PKTZIBPZSA-N 0 0 429.545 5.195 50 30 IKEARN Cc1cccc(N2C(=O)S[C@@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)c1 ZINC000013739575 563002975 /nfs/dbraw/zinc/00/29/75/563002975.db2.gz RNPHZSIDLTYYAZ-OAQYLSRUSA-N 0 0 433.558 6.054 50 30 aggregator IKEARN C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000018219729 563022268 /nfs/dbraw/zinc/02/22/68/563022268.db2.gz GVEJYMKBBLLBFM-UHFFFAOYSA-N 0 0 449.923 5.060 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000025615758 563027485 /nfs/dbraw/zinc/02/74/85/563027485.db2.gz DNATVEAMVQJOSK-NRFANRHFSA-N 0 0 431.561 5.259 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000025615752 563027536 /nfs/dbraw/zinc/02/75/36/563027536.db2.gz DNATVEAMVQJOSK-OAQYLSRUSA-N 0 0 431.561 5.259 50 30 IKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OCC)cc1 ZINC000000939698 568640754 /nfs/dbraw/zinc/64/07/54/568640754.db2.gz AKEYPPYUIUMVFK-UHFFFAOYSA-N 0 0 442.519 5.306 50 30 IKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2csc(-c3ccccc3)n2)cc1C ZINC000000945294 568643379 /nfs/dbraw/zinc/64/33/79/568643379.db2.gz NFMZZNWEHXESRO-CLJLJLNGSA-N 0 0 441.552 6.329 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1 ZINC000000956627 568645933 /nfs/dbraw/zinc/64/59/33/568645933.db2.gz WKGZBWAIZFAMMS-UUYOSTAYSA-N 0 0 437.289 5.653 50 30 biogenic IKEARN COc1cccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cccc(OC)c3)C2=O)c1 ZINC000025197558 568647261 /nfs/dbraw/zinc/64/72/61/568647261.db2.gz AIQWHIYOLDHKFR-KOJZRSEWSA-N 0 0 425.528 5.256 50 30 IKEARN CCSC(=S)[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000000977080 568648244 /nfs/dbraw/zinc/64/82/44/568648244.db2.gz KBXPELSZBPOEIC-VWLOTQADSA-N 0 0 441.581 5.485 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000000995758 568648270 /nfs/dbraw/zinc/64/82/70/568648270.db2.gz VZCGBAQSCIXZDI-VQHVLOKHSA-N 0 0 436.364 5.369 50 30 IKEARN CCOC(=O)c1c(C)n(C)c2ccc(Oc3nccc(Nc4ccc(C)cc4)c3C#N)cc21 ZINC000000978611 568648615 /nfs/dbraw/zinc/64/86/15/568648615.db2.gz HNWRECYGIJCPRD-UHFFFAOYSA-N 0 0 440.503 5.774 50 30 IKEARN Cc1ccc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 ZINC000000993577 568649317 /nfs/dbraw/zinc/64/93/17/568649317.db2.gz OQZASONRRBHPCD-VJGNERBWSA-N 0 0 429.523 5.588 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000001010249 568651974 /nfs/dbraw/zinc/65/19/74/568651974.db2.gz ONFNMQBVMJHACL-OAQYLSRUSA-N 0 0 426.438 5.312 50 30 IKEARN COc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)c2C#N)cc1OC ZINC000001056046 568654668 /nfs/dbraw/zinc/65/46/68/568654668.db2.gz BHJNTZZZIVZZEH-UHFFFAOYSA-N 0 0 430.888 5.278 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C#N)c3)c2C1 ZINC000025389628 568656014 /nfs/dbraw/zinc/65/60/14/568656014.db2.gz QGHUYYWUPHXRMB-SFHVURJKSA-N 0 0 441.531 5.053 50 30 IKEARN N#CC1(C#N)[C@H](c2ccc(F)cc2F)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000001065419 568656106 /nfs/dbraw/zinc/65/61/06/568656106.db2.gz CAYPLBWXIOMWFB-GVAUOCQISA-N 0 0 437.449 5.249 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl ZINC000001079885 568656900 /nfs/dbraw/zinc/65/69/00/568656900.db2.gz UIMLJUMZFLLHIF-ZDUSSCGKSA-N 0 0 436.758 5.692 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000001079573 568656971 /nfs/dbraw/zinc/65/69/71/568656971.db2.gz RFQRCRSYHJVAOJ-INIZCTEOSA-N 0 0 432.322 6.296 50 30 IKEARN CCOc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000001080216 568656994 /nfs/dbraw/zinc/65/69/94/568656994.db2.gz LUHXGQBPZJLMON-LYZGTLIUSA-N 0 0 446.550 6.592 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 ZINC000001080233 568657021 /nfs/dbraw/zinc/65/70/21/568657021.db2.gz LPASXEOEVJVMQJ-UZTOHYMASA-N 0 0 446.506 5.922 50 30 IKEARN Cc1ccc(N2C(=O)C[C@@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000001079540 568657032 /nfs/dbraw/zinc/65/70/32/568657032.db2.gz WDFVSFCLKSKLFR-SFHVURJKSA-N 0 0 428.359 6.466 50 30 IKEARN COc1cc(C2=C3C(=O)CC(C)(C)C[C@H]3Nc3ccc4ncccc4c32)ccc1OC(C)=O ZINC000001072442 568657665 /nfs/dbraw/zinc/65/76/65/568657665.db2.gz ZYXMJPUTWGUMEF-HXUWFJFHSA-N 0 0 442.515 5.154 50 30 IKEARN CC1(C)CC(=O)C([C@H]2c3cc(Br)ccc3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000001097787 568658763 /nfs/dbraw/zinc/65/87/63/568658763.db2.gz KKGFFQSFDZJSEK-LJQANCHMSA-N 0 0 445.353 5.770 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cc2ccccc2o1 ZINC000001105589 568660641 /nfs/dbraw/zinc/66/06/41/568660641.db2.gz WZFNAKXTOBHBJE-UHFFFAOYSA-N 0 0 432.549 5.533 50 30 IKEARN CS[C@@H]1CCCC[C@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000001145236 568661115 /nfs/dbraw/zinc/66/11/15/568661115.db2.gz JYUVZCUGGYUEOC-AEFFLSMTSA-N 0 0 444.569 5.829 50 30 IKEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000001132760 568661434 /nfs/dbraw/zinc/66/14/34/568661434.db2.gz SGNDXWYWMWVYTA-ZDUSSCGKSA-N 0 0 447.398 5.794 50 30 IKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000015228427 568735122 /nfs/dbraw/zinc/73/51/22/568735122.db2.gz JXNWEZKXEBAMRW-UHFFFAOYSA-N 0 0 442.506 7.110 50 30 IKEARN COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)c(OC)c1 ZINC000001199931 568736567 /nfs/dbraw/zinc/73/65/67/568736567.db2.gz NQFQDINBXUGQLG-UHFFFAOYSA-N 0 0 443.528 5.721 50 30 IKEARN CCCCCCCCCCCCCCCCCCSCCNC(=O)c1ccccn1 ZINC000136994607 568737742 /nfs/dbraw/zinc/73/77/42/568737742.db2.gz SJJLEBGUATVJNJ-UHFFFAOYSA-N 0 0 434.734 7.806 50 30 IKEARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000034908986 568739334 /nfs/dbraw/zinc/73/93/34/568739334.db2.gz VXRWJJCXEXIGDX-JOCHJYFZSA-N 0 0 438.487 5.744 50 30 IKEARN Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3ccccc3Cl)cc2)cc1 ZINC000001917920 568742254 /nfs/dbraw/zinc/74/22/54/568742254.db2.gz NHDAMEJAXWBYQK-MZJWZYIUSA-N 0 0 448.979 5.993 50 30 IKEARN N#C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000012526607 568742594 /nfs/dbraw/zinc/74/25/94/568742594.db2.gz MQMNMFLOTFXECD-ZEQKJWHPSA-N 0 0 431.967 5.002 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003284460 568744969 /nfs/dbraw/zinc/74/49/69/568744969.db2.gz LDHSKKAVYZFKMA-UHFFFAOYSA-N 0 0 431.565 5.031 50 30 IKEARN CCCCCC(=O)Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000003625441 568751765 /nfs/dbraw/zinc/75/17/65/568751765.db2.gz PCDCDSFRCUGVSZ-UHFFFAOYSA-N 0 0 438.520 5.309 50 30 IKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003627456 568751966 /nfs/dbraw/zinc/75/19/66/568751966.db2.gz KXNMAIAKSBGCKU-SPLOXXLWSA-N 0 0 435.014 5.765 50 30 IKEARN CCOC(=O)c1c2c(sc1/N=C/c1ccc(-c3cccc(Cl)c3Cl)o1)CCCC2 ZINC000003663555 568753584 /nfs/dbraw/zinc/75/35/84/568753584.db2.gz SHDDNQZAXJKIKO-BRJLIKDPSA-N 0 0 448.371 7.121 50 30 IKEARN C=CCc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 ZINC000003660967 568753903 /nfs/dbraw/zinc/75/39/03/568753903.db2.gz ABGATVBUTHVATL-WGOQTCKBSA-N 0 0 436.349 6.516 50 30 IKEARN CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5ccccc5c4)o3)sc2c1 ZINC000003667032 568753938 /nfs/dbraw/zinc/75/39/38/568753938.db2.gz YHHSGWMOWZTUTC-MFKUBSTISA-N 0 0 430.554 7.343 50 30 IKEARN Cc1ccc(N2C3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000003671310 568754113 /nfs/dbraw/zinc/75/41/13/568754113.db2.gz SKIJVPGAWKSSJO-SANMLTNESA-N 0 0 445.562 6.850 50 30 IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccccc2Cl)CC(=O)O3)C1=O ZINC000263584866 568758960 /nfs/dbraw/zinc/75/89/60/568758960.db2.gz BRBHDKFDQXTHIG-WCEBZYJUSA-N 0 0 432.859 5.406 50 30 biogenic IKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cccnc3)C2)cc1 ZINC000004035917 568759735 /nfs/dbraw/zinc/75/97/35/568759735.db2.gz CQFWKIXFDAHDJB-RBISFHTESA-N 0 0 449.554 5.701 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004062229 568760065 /nfs/dbraw/zinc/76/00/65/568760065.db2.gz RPJYQERFYOCLIV-UZTOHYMASA-N 0 0 444.962 6.718 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2O)N(C2CCCCC2)C1=O ZINC000004108991 568775522 /nfs/dbraw/zinc/77/55/22/568775522.db2.gz GBILBIULZNPRHV-ZMPCKTLKSA-N 0 0 437.590 5.699 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001299643 568779045 /nfs/dbraw/zinc/77/90/45/568779045.db2.gz YFKCFDHHFNHUCM-GOSISDBHSA-N 0 0 442.606 5.221 50 30 IKEARN COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001389884 568784928 /nfs/dbraw/zinc/78/49/28/568784928.db2.gz DXLYZZLPYZKKCY-UHFFFAOYSA-N 0 0 442.441 5.696 50 30 IKEARN Cc1ccccc1Nc1c2cccc(C)c2nc(C(F)(F)C(F)(F)F)c1C(F)(F)F ZINC000002913406 568789438 /nfs/dbraw/zinc/78/94/38/568789438.db2.gz PCCHTVQSWMOTDK-UHFFFAOYSA-N 0 0 434.330 7.268 50 30 IKEARN CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001413306 568790226 /nfs/dbraw/zinc/79/02/26/568790226.db2.gz HTCTYIXEIVFTFI-JOCHJYFZSA-N 0 0 432.907 5.189 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N\c1cc(C)ccc1C ZINC000001416226 568790610 /nfs/dbraw/zinc/79/06/10/568790610.db2.gz NWBGBTNMXMVFRS-RGCCPRADSA-N 0 0 435.593 5.375 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000001421899 568793198 /nfs/dbraw/zinc/79/31/98/568793198.db2.gz LJJSPCAEEZFQQU-OAHLLOKOSA-N 0 0 445.585 5.341 50 30 IKEARN CN(C)c1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000001421739 568793204 /nfs/dbraw/zinc/79/32/04/568793204.db2.gz CKRGZYBCQPGMIS-HRFSGMKKSA-N 0 0 434.539 6.457 50 30 IKEARN CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)cc2Cl)N[C@H]1c1ccc(Cl)cc1Cl ZINC000019202044 568793964 /nfs/dbraw/zinc/79/39/64/568793964.db2.gz ILQVPHGLJPFAMX-RBUKOAKNSA-N 0 0 430.162 6.096 50 30 IKEARN CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O ZINC000001430114 568794397 /nfs/dbraw/zinc/79/43/97/568794397.db2.gz PBTQKDHOKIUUQU-NVXWUHKLSA-N 0 0 429.347 5.187 50 30 IKEARN COc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 ZINC000001430892 568794549 /nfs/dbraw/zinc/79/45/49/568794549.db2.gz YHTBTTRBHANPDE-GOSISDBHSA-N 0 0 432.545 5.035 50 30 IKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](c3ccccc3F)C3=C1CCCC3=O)CCCCC2 ZINC000001430169 568794736 /nfs/dbraw/zinc/79/47/36/568794736.db2.gz VZVPKTLQQRMNGH-KRWDZBQOSA-N 0 0 434.536 5.555 50 30 IKEARN Cc1ccsc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2 ZINC000001431974 568795009 /nfs/dbraw/zinc/79/50/09/568795009.db2.gz WWBBNFSDPRWCRJ-MRXNPFEDSA-N 0 0 436.602 5.786 50 30 IKEARN Oc1c(I)cccc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 ZINC000001433891 568795613 /nfs/dbraw/zinc/79/56/13/568795613.db2.gz OKBDPQILWUYQOG-WSDLNYQXSA-N 0 0 440.240 5.556 50 30 IKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)c1 ZINC000001439855 568804773 /nfs/dbraw/zinc/80/47/73/568804773.db2.gz WZOYIUBDCZQEMK-QYBDOPJKSA-N 0 0 430.935 6.328 50 30 IKEARN C=CCc1ccccc1OCCn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21 ZINC000006394167 568806569 /nfs/dbraw/zinc/80/65/69/568806569.db2.gz KDMBWUVJIVBDCL-PXLXIMEGSA-N 0 0 434.586 5.280 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1CC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000001446229 568807240 /nfs/dbraw/zinc/80/72/40/568807240.db2.gz JYXNQZNZDWTTMR-UHFFFAOYSA-N 0 0 435.552 5.876 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000032501340 568811546 /nfs/dbraw/zinc/81/15/46/568811546.db2.gz RCYVTNDOESHAPC-JLPGSUDCSA-N 0 0 433.548 6.465 50 30 IKEARN CCc1cccc(/N=C(/NC(=O)c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000015729142 568813342 /nfs/dbraw/zinc/81/33/42/568813342.db2.gz MICQKAZBHBNQOP-UHFFFAOYSA-N 0 0 440.591 5.106 50 30 IKEARN Cc1cc(C)c(/N=C2\[C@@H]([NH+]3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1 ZINC000015729254 568813357 /nfs/dbraw/zinc/81/33/57/568813357.db2.gz BYFFSGOEORCNAM-XWGMSIGLSA-N 0 0 443.635 6.494 50 30 IKEARN C=CCn1c(SCc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc2ncccc2c1 ZINC000008715182 568816340 /nfs/dbraw/zinc/81/63/40/568816340.db2.gz ONHSXYJWBCRKBG-UHFFFAOYSA-N 0 0 442.466 5.870 50 30 IKEARN CC(C)(C)CC(C)(C)N=C1Nc2ccccc2CNC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000085393209 568817188 /nfs/dbraw/zinc/81/71/88/568817188.db2.gz DRIGWFDCTVIYSR-UHFFFAOYSA-N 0 0 442.648 5.585 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001450490 568818017 /nfs/dbraw/zinc/81/80/17/568818017.db2.gz GPZYWWTWTRLGPW-QFIPXVFZSA-N 0 0 446.503 5.072 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000009308281 568818274 /nfs/dbraw/zinc/81/82/74/568818274.db2.gz KEZARKHTRSGKPO-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Br)cc1 ZINC000009307781 568818415 /nfs/dbraw/zinc/81/84/15/568818415.db2.gz HTSOMEOPNHBHRH-UHFFFAOYSA-N 0 0 430.371 5.406 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(Cl)c1 ZINC000009480259 568818882 /nfs/dbraw/zinc/81/88/82/568818882.db2.gz DEWONTJQEKMILB-UHFFFAOYSA-N 0 0 441.000 5.813 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009497403 568819035 /nfs/dbraw/zinc/81/90/35/568819035.db2.gz WXFODMADCUMPFR-UHFFFAOYSA-N 0 0 441.600 6.557 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(OC)c1 ZINC000009480165 568819040 /nfs/dbraw/zinc/81/90/40/568819040.db2.gz WSZFERMTWRRLQB-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001461734 568819853 /nfs/dbraw/zinc/81/98/53/568819853.db2.gz XSCTZCPAUAKLDQ-UHFFFAOYSA-N 0 0 437.580 5.496 50 30 IKEARN C=CCn1c(SCc2ncc(Cl)n2C)nc2scc(-c3cccs3)c2c1=O ZINC000015755090 568820403 /nfs/dbraw/zinc/82/04/03/568820403.db2.gz DSYDMRVUTDWTPB-UHFFFAOYSA-N 0 0 434.999 5.052 50 30 IKEARN CC(C)NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N ZINC000006076992 568820656 /nfs/dbraw/zinc/82/06/56/568820656.db2.gz XWOBFBAGQFQJHE-UHFFFAOYSA-N 0 0 437.531 5.057 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000013804619 568824140 /nfs/dbraw/zinc/82/41/40/568824140.db2.gz ZTQLDIWVFKTQIF-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013804958 568824343 /nfs/dbraw/zinc/82/43/43/568824343.db2.gz XLKNKNPXJSMQGZ-UHFFFAOYSA-N 0 0 434.609 5.776 50 30 IKEARN C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCc1ccc(F)cc1Cl ZINC000013848430 568824344 /nfs/dbraw/zinc/82/43/44/568824344.db2.gz NSRDELAILZUCKR-UHFFFAOYSA-N 0 0 438.355 6.090 50 30 IKEARN C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3cnc4ccccc4c3)[nH]2)cc1)c1ccccc1 ZINC000013810503 568824353 /nfs/dbraw/zinc/82/43/53/568824353.db2.gz ZWFKTYACYSXJCJ-UHFFFAOYSA-N 0 0 447.541 7.359 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000014088258 568824838 /nfs/dbraw/zinc/82/48/38/568824838.db2.gz FWDHVXJHEUTLJM-UHFFFAOYSA-N 0 0 440.783 6.296 50 30 IKEARN C=CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)nnc1C1CC1 ZINC000014242874 568825598 /nfs/dbraw/zinc/82/55/98/568825598.db2.gz ANUXJQWHBYZGFG-UHFFFAOYSA-N 0 0 443.576 5.495 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2NC=CC(=O)c2cccc3ccccc32)cc1 ZINC000006101733 568826011 /nfs/dbraw/zinc/82/60/11/568826011.db2.gz RYGWNMFTJPXJLI-ISLYRVAYSA-N 0 0 442.540 5.758 50 30 IKEARN C=CCn1c(CN(C)Cc2cccc(-c3ccccc3C)c2)nnc1SC[C@H]1CCCO1 ZINC000014994195 568827920 /nfs/dbraw/zinc/82/79/20/568827920.db2.gz MNOYHYIPFMHJQF-HSZRJFAPSA-N 0 0 448.636 5.343 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cc(C)ccc2C)SC1=S ZINC000015857090 568828760 /nfs/dbraw/zinc/82/87/60/568828760.db2.gz BPOOJJIGRJUPKQ-CJLVFECKSA-N 0 0 439.602 5.539 50 30 IKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(C)cc1 ZINC000001119025 568833244 /nfs/dbraw/zinc/83/32/44/568833244.db2.gz GELPHDBJRZZFLE-UHFFFAOYSA-N 0 0 447.589 5.294 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(OC)cc1 ZINC000001112499 568833467 /nfs/dbraw/zinc/83/34/67/568833467.db2.gz XODYDTWNISKSTM-UHFFFAOYSA-N 0 0 430.533 5.024 50 30 IKEARN C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000001100420 568833519 /nfs/dbraw/zinc/83/35/19/568833519.db2.gz HXXXOGGOOKOBDH-UHFFFAOYSA-N 0 0 441.603 5.377 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S ZINC000001215723 568833822 /nfs/dbraw/zinc/83/38/22/568833822.db2.gz ZWWQNXGKAQKWCX-XDHOZWIPSA-N 0 0 431.966 5.315 50 30 IKEARN C=C(C)Cn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000001831414 568834309 /nfs/dbraw/zinc/83/43/09/568834309.db2.gz IJNUEJIBNAPDNG-UHFFFAOYSA-N 0 0 442.628 6.189 50 30 biogenic IKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc(C)c(C)c2c1=O ZINC000001895158 568834324 /nfs/dbraw/zinc/83/43/24/568834324.db2.gz HLQLYPQRAVHCRG-UHFFFAOYSA-N 0 0 446.597 5.903 50 30 IKEARN C=C(C)C(=O)OCCn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000001506695 568834340 /nfs/dbraw/zinc/83/43/40/568834340.db2.gz FICYDGXCXDEZAT-UHFFFAOYSA-N 0 0 437.131 5.439 50 30 IKEARN C=CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060626 568834379 /nfs/dbraw/zinc/83/43/79/568834379.db2.gz XBFDZKBQUQMFFI-IBGZPJMESA-N 0 0 436.621 5.686 50 30 biogenic IKEARN C=CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060629 568834420 /nfs/dbraw/zinc/83/44/20/568834420.db2.gz LAKCXVVECRMEIK-UHFFFAOYSA-N 0 0 442.628 6.189 50 30 IKEARN C#CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002117663 568834491 /nfs/dbraw/zinc/83/44/91/568834491.db2.gz YZSOSKAUPLGZRA-UHFFFAOYSA-N 0 0 442.584 5.391 50 30 biogenic IKEARN C#CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060634 568834501 /nfs/dbraw/zinc/83/45/01/568834501.db2.gz YMKUACBKVJMHGY-FQEVSTJZSA-N 0 0 448.632 5.524 50 30 biogenic IKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000002119868 568834502 /nfs/dbraw/zinc/83/45/02/568834502.db2.gz HPZHFLVPEDXEJI-XSFVSMFZSA-N 0 0 427.547 5.065 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1OC ZINC000002120050 568834686 /nfs/dbraw/zinc/83/46/86/568834686.db2.gz YCRSQGDLUVZWJE-XDHOZWIPSA-N 0 0 430.913 5.019 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)N(C(=O)CC)c1ccccc1-2 ZINC000002114351 568834692 /nfs/dbraw/zinc/83/46/92/568834692.db2.gz JXBQPARWZJTDRG-OAQYLSRUSA-N 0 0 438.940 5.304 50 30 IKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000002360271 568835223 /nfs/dbraw/zinc/83/52/23/568835223.db2.gz HBUDVDLJFRZUIY-INIZCTEOSA-N 0 0 426.611 5.361 50 30 IKEARN C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000002321461 568835245 /nfs/dbraw/zinc/83/52/45/568835245.db2.gz MFGXXLODTSNCCC-UHFFFAOYSA-N 0 0 435.336 5.796 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002443123 568835729 /nfs/dbraw/zinc/83/57/29/568835729.db2.gz SMLYEZMEVCNDAS-UHFFFAOYSA-N 0 0 448.636 6.283 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000002453831 568835733 /nfs/dbraw/zinc/83/57/33/568835733.db2.gz CDNWFZAGURHVRB-UHFFFAOYSA-N 0 0 426.973 5.639 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000002446223 568835808 /nfs/dbraw/zinc/83/58/08/568835808.db2.gz VUBZQBOKFPKKCD-SFHVURJKSA-N 0 0 436.581 5.287 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccccc1Cl ZINC000002449441 568835962 /nfs/dbraw/zinc/83/59/62/568835962.db2.gz YNMHXZSKQDRXKU-UHFFFAOYSA-N 0 0 441.000 5.858 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002450825 568835996 /nfs/dbraw/zinc/83/59/96/568835996.db2.gz CMWHYRPUTZPSJU-UHFFFAOYSA-N 0 0 448.636 6.030 50 30 IKEARN O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000001220858 568836577 /nfs/dbraw/zinc/83/65/77/568836577.db2.gz MFFDKMQSIXVXRN-AWEZNQCLSA-N 0 0 430.154 5.218 50 30 IKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C\c3cccc4ccccc34)cc2)c(C)c1 ZINC000100112335 568841383 /nfs/dbraw/zinc/84/13/83/568841383.db2.gz UGKHSNURYKHSKY-PKAZHMFMSA-N 0 0 429.541 6.283 50 30 IKEARN COc1ccc(OC)c([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000015830286 568841438 /nfs/dbraw/zinc/84/14/38/568841438.db2.gz JBVMGXHEZSZBEG-XMMPIXPASA-N 0 0 443.547 5.399 50 30 IKEARN O=C(Cc1ccccc1)ON[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003137401 568841799 /nfs/dbraw/zinc/84/17/99/568841799.db2.gz XCPRKWZJHBFJOP-HNNXBMFYSA-N 0 0 442.557 5.392 50 30 IKEARN C=C[C@@H](CCC1(CC[C@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1 ZINC000043198818 568842960 /nfs/dbraw/zinc/84/29/60/568842960.db2.gz VDGIQSSYFMFIRB-GOTSBHOMSA-N 0 0 436.686 7.980 50 30 IKEARN C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CCC23SCCS3)CC[C@H]1C)C1SCCS1 ZINC000043762230 568843108 /nfs/dbraw/zinc/84/31/08/568843108.db2.gz CPGWNLKFCZHRGO-UAMLPYHUSA-N 0 0 442.781 6.439 50 30 IKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC(N)=S)cc1 ZINC000100815738 568843392 /nfs/dbraw/zinc/84/33/92/568843392.db2.gz HCGOHCAOJSIHNG-UHFFFAOYSA-N 0 0 440.719 6.597 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(C([O-])=CC(=O)OC)cc1OC ZINC000101017435 568843529 /nfs/dbraw/zinc/84/35/29/568843529.db2.gz DUYHAOVVOQOXCC-UHFFFAOYSA-N 0 0 448.644 7.301 50 30 IKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101016702 568843535 /nfs/dbraw/zinc/84/35/35/568843535.db2.gz QALMORZYODYPPR-UHFFFAOYSA-N 0 0 440.650 6.697 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000100857243 568843544 /nfs/dbraw/zinc/84/35/44/568843544.db2.gz NAXNSTNFOZWHIE-UHFFFAOYSA-N 0 0 437.112 9.031 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C(C)C)cc1 ZINC000100857149 568843545 /nfs/dbraw/zinc/84/35/45/568843545.db2.gz CMAJCLLOJREWNO-UHFFFAOYSA-N 0 0 430.721 9.193 50 30 IKEARN CCCCCCCCCCOc1ccc(C(C)=O)c(OCCCCCCCCCC)c1 ZINC000101017598 568843557 /nfs/dbraw/zinc/84/35/57/568843557.db2.gz KDKJLZBGNQGYGA-UHFFFAOYSA-N 0 0 432.689 8.928 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(C)cc(C)cc1C ZINC000100857215 568843558 /nfs/dbraw/zinc/84/35/58/568843558.db2.gz BAKBWFNGSKVPNW-UHFFFAOYSA-N 0 0 430.721 8.995 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc2ccccc21 ZINC000100857246 568843563 /nfs/dbraw/zinc/84/35/63/568843563.db2.gz PNMUAOMURCMEGO-UHFFFAOYSA-N 0 0 438.700 9.223 50 30 IKEARN CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CNc1c(CC)cccc1CC ZINC000101016031 568843565 /nfs/dbraw/zinc/84/35/65/568843565.db2.gz LDQMDDSVMJXMGB-UHFFFAOYSA-N 0 0 440.628 7.851 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000101020071 568843709 /nfs/dbraw/zinc/84/37/09/568843709.db2.gz XRXSLWSINBVLFM-UHFFFAOYSA-N 0 0 434.708 10.106 50 30 IKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(N=NCCC)cc1 ZINC000102313770 568843711 /nfs/dbraw/zinc/84/37/11/568843711.db2.gz IGABVRURLYABEO-XTCLZLMSSA-N 0 0 436.706 7.749 50 30 IKEARN CN(C)c1ccc(CN=Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 ZINC000006144490 568846041 /nfs/dbraw/zinc/84/60/41/568846041.db2.gz CKFUKTAKBTZJTA-WGOQTCKBSA-N 0 0 441.560 5.574 50 30 IKEARN C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1csc(C)c1CC ZINC000017095095 568851148 /nfs/dbraw/zinc/85/11/48/568851148.db2.gz JJTGKPBNLHANOR-OAHLLOKOSA-N 0 0 426.611 5.033 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000019799667 568855045 /nfs/dbraw/zinc/85/50/45/568855045.db2.gz VNCULZCXSZTEGR-KEBDBYFISA-N 0 0 441.339 5.666 50 30 IKEARN O=C(Cc1csc(-c2ccccc2Cl)n1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024986191 568861048 /nfs/dbraw/zinc/86/10/48/568861048.db2.gz NTLZOMOFGOMKOP-UHFFFAOYSA-N 0 0 434.870 5.193 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1ccc(Br)cc1 ZINC000027015918 568862908 /nfs/dbraw/zinc/86/29/08/568862908.db2.gz CGAQXGVRCMLNQF-FLFQWRMESA-N 0 0 442.382 5.664 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016035549 568867470 /nfs/dbraw/zinc/86/74/70/568867470.db2.gz HHZWEWRVUSDVMJ-UHFFFAOYSA-N 0 0 431.557 5.652 50 30 IKEARN N=C(Nc1ccc(Br)cc1)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000006189600 568872774 /nfs/dbraw/zinc/87/27/74/568872774.db2.gz IOOLKROBPQLDKM-UHFFFAOYSA-N 0 0 442.264 5.045 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000006196508 568877050 /nfs/dbraw/zinc/87/70/50/568877050.db2.gz LVACMOLCSLTQMM-VWLOTQADSA-N 0 0 446.547 5.009 50 30 IKEARN Cc1cccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)c1C ZINC000016349946 568877571 /nfs/dbraw/zinc/87/75/71/568877571.db2.gz SMTBYDUUOASGDS-HYOGKJQXSA-N 0 0 437.587 5.683 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 ZINC000006246079 568880786 /nfs/dbraw/zinc/88/07/86/568880786.db2.gz PHOPGGLGXPJYTM-UHFFFAOYSA-N 0 0 426.972 7.541 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009477490 568883519 /nfs/dbraw/zinc/88/35/19/568883519.db2.gz IDCWOTQNBMNRCN-QFIPXVFZSA-N 0 0 448.906 5.307 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3cccnc3)nc3ccc(Cl)cc31)CCC2 ZINC000016392740 568887336 /nfs/dbraw/zinc/88/73/36/568887336.db2.gz NATQKXWTXGIRAI-UHFFFAOYSA-N 0 0 430.920 5.624 50 30 IKEARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(C#N)c1C ZINC000016393213 568887362 /nfs/dbraw/zinc/88/73/62/568887362.db2.gz FEKBIOLQGRQXGS-MRXNPFEDSA-N 0 0 434.517 5.178 50 30 IKEARN COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006405853 568894095 /nfs/dbraw/zinc/89/40/95/568894095.db2.gz IJFPXVMYMODRCG-UHFFFAOYSA-N 0 0 434.948 6.135 50 30 IKEARN COc1cccc(C(=O)/C=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1 ZINC000016035548 568894105 /nfs/dbraw/zinc/89/41/05/568894105.db2.gz QEKOUUOOWCAIBD-RIYZIHGNSA-N 0 0 431.488 6.589 50 30 IKEARN COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(C4CCCCC4)cc3)c2)cc1 ZINC000016043744 568894163 /nfs/dbraw/zinc/89/41/63/568894163.db2.gz XTFSPLAWAJLSRN-VXLYETTFSA-N 0 0 439.555 6.891 50 30 IKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3c(Cl)cccc3Cl)cc2)CC1 ZINC000015981707 568894181 /nfs/dbraw/zinc/89/41/81/568894181.db2.gz FCXHOLGXYQNDCZ-MDZDMXLPSA-N 0 0 438.376 5.310 50 30 IKEARN COc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 ZINC000033665644 568896163 /nfs/dbraw/zinc/89/61/63/568896163.db2.gz NJORMWDVDORMNK-YKRMCXMESA-N 0 0 440.543 6.073 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c(F)c1 ZINC000016448736 568903045 /nfs/dbraw/zinc/90/30/45/568903045.db2.gz ZSGCDCJEAYYILR-UHFFFAOYSA-N 0 0 426.234 6.065 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1cccc2ccccc21 ZINC000001746454 568904194 /nfs/dbraw/zinc/90/41/94/568904194.db2.gz TURGZWLOPUYJMP-UHFFFAOYSA-N 0 0 440.593 6.757 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2C1 ZINC000001771060 568905947 /nfs/dbraw/zinc/90/59/47/568905947.db2.gz BIZJNXZVDYTJMX-HNNXBMFYSA-N 0 0 428.513 5.062 50 30 IKEARN C=CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001779968 568906781 /nfs/dbraw/zinc/90/67/81/568906781.db2.gz PZUSPQBDJAMQJW-UHFFFAOYSA-N 0 0 442.628 6.455 50 30 IKEARN Cc1sc(NC(=O)COc2ccc(Br)cc2C)c(C#N)c1-c1ccccc1 ZINC000001787380 568907097 /nfs/dbraw/zinc/90/70/97/568907097.db2.gz RJICDRZRACOCQG-UHFFFAOYSA-N 0 0 441.350 5.684 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C ZINC000006444558 568907321 /nfs/dbraw/zinc/90/73/21/568907321.db2.gz PTHVLYUCAXUJBI-DEOSSOPVSA-N 0 0 430.548 5.246 50 30 IKEARN CCCc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)cc1 ZINC000001792340 568908014 /nfs/dbraw/zinc/90/80/14/568908014.db2.gz GMAGJCSNHDCCPL-UHFFFAOYSA-N 0 0 426.607 5.978 50 30 IKEARN COc1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000001806353 568908682 /nfs/dbraw/zinc/90/86/82/568908682.db2.gz SKQZYKUMJZFEOV-MZJWZYIUSA-N 0 0 428.875 6.766 50 30 IKEARN N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1SCCc1ccccc1 ZINC000001806636 568908738 /nfs/dbraw/zinc/90/87/38/568908738.db2.gz QMJYBINVEDJZAY-UHFFFAOYSA-N 0 0 426.972 7.275 50 30 IKEARN CCCCCCc1cc2cc(-c3csc(/N=C/c4ccccc4)n3)c(=O)oc2cc1O ZINC000001813316 568915452 /nfs/dbraw/zinc/91/54/52/568915452.db2.gz FPFCLQTZRHDPKQ-CVKSISIWSA-N 0 0 432.545 6.496 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)ccc1O ZINC000001830375 568916053 /nfs/dbraw/zinc/91/60/53/568916053.db2.gz OMQQQKGMCLCRJR-PXNMLYILSA-N 0 0 442.846 5.355 50 30 IKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000001878387 568917167 /nfs/dbraw/zinc/91/71/67/568917167.db2.gz OYMUASZMFJSUGE-HGAXPLMXSA-N 0 0 438.270 7.126 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/c4cccc(Cl)c4)ccc3o2)cc1Br ZINC000001883673 568917502 /nfs/dbraw/zinc/91/75/02/568917502.db2.gz ZGLVOIDCNPTHIT-WYMPLXKRSA-N 0 0 441.712 6.670 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000006462305 568918611 /nfs/dbraw/zinc/91/86/11/568918611.db2.gz GIMBHBUJZDYZDL-IMVGLAPISA-N 0 0 437.569 5.977 50 30 IKEARN Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2/C=C/C(=O)c2ccccc2)cc1 ZINC000001902903 568918652 /nfs/dbraw/zinc/91/86/52/568918652.db2.gz SWUMXSRWWQVLQO-GHUONELISA-N 0 0 434.560 7.431 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 ZINC000001922401 568923353 /nfs/dbraw/zinc/92/33/53/568923353.db2.gz SWOFXPMZCKNEKO-BZCVXYEQSA-N 0 0 433.305 6.682 50 30 IKEARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000001946594 568923698 /nfs/dbraw/zinc/92/36/98/568923698.db2.gz PSOZKQIGMSJVFV-ZOMGDLOTSA-N 0 0 427.718 7.871 50 30 IKEARN COc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3OC)cc2)cc1 ZINC000001952293 568923838 /nfs/dbraw/zinc/92/38/38/568923838.db2.gz XDCSJIINVFSPAY-OQIGUVFWSA-N 0 0 434.539 6.796 50 30 IKEARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccc(Cl)cc1Cl ZINC000001957513 568923930 /nfs/dbraw/zinc/92/39/30/568923930.db2.gz FVNQJZBOHANRCQ-KTZMUZOWSA-N 0 0 434.735 5.967 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccnc1 ZINC000018121949 568929670 /nfs/dbraw/zinc/92/96/70/568929670.db2.gz VRJMRNQSILBZHL-HHHXNRCGSA-N 0 0 437.543 5.467 50 30 biogenic IKEARN CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c2c1 ZINC000064473979 568930056 /nfs/dbraw/zinc/93/00/56/568930056.db2.gz OQKKQBUQAMDXTF-UHFFFAOYSA-N 0 0 436.918 5.316 50 30 IKEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000064473813 568930576 /nfs/dbraw/zinc/93/05/76/568930576.db2.gz UPFTZROVTZSUMQ-UHFFFAOYSA-N 0 0 430.939 5.104 50 30 IKEARN CC(C)Cc1c(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N ZINC000002064194 568941200 /nfs/dbraw/zinc/94/12/00/568941200.db2.gz GDSOBLGFLOHVMT-UHFFFAOYSA-N 0 0 445.975 6.319 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000036059993 568944707 /nfs/dbraw/zinc/94/47/07/568944707.db2.gz BYXZAQQCRJRABN-ZNZIZOMTSA-N 0 0 449.941 5.933 50 30 IKEARN CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733085 568968549 /nfs/dbraw/zinc/96/85/49/568968549.db2.gz NXIUQVDDGSOMDX-JOCHJYFZSA-N 0 0 427.548 5.848 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c([nH]nc2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006733090 568968581 /nfs/dbraw/zinc/96/85/81/568968581.db2.gz DDAVMLKZRZNXQT-QFIPXVFZSA-N 0 0 427.548 5.984 50 30 IKEARN CCOc1ccccc1[C@H]1c2c([nH]nc2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2 ZINC000006733091 568968741 /nfs/dbraw/zinc/96/87/41/568968741.db2.gz DDAVMLKZRZNXQT-JOCHJYFZSA-N 0 0 427.548 5.984 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000006782337 568985246 /nfs/dbraw/zinc/98/52/46/568985246.db2.gz SRCXWQQPKIWNSF-VWLOTQADSA-N 0 0 425.528 5.631 50 30 biogenic IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 ZINC000169683832 569000210 /nfs/dbraw/zinc/00/02/10/569000210.db2.gz CWPKVJRKDYJFFN-OEOHJPKBSA-N 0 0 433.382 7.879 50 30 IKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c2c1 ZINC000065034383 569092013 /nfs/dbraw/zinc/09/20/13/569092013.db2.gz WFDGQIUYXHFOGB-UHFFFAOYSA-N 0 0 438.453 5.289 50 30 IKEARN CC(C)(C)c1cc(/C=N/[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000006995583 569116689 /nfs/dbraw/zinc/11/66/89/569116689.db2.gz IXZSHYIACBWIFQ-UPKFUJAESA-N 0 0 429.604 6.881 50 30 IKEARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3C#N)c12 ZINC000036615798 569122660 /nfs/dbraw/zinc/12/26/60/569122660.db2.gz RMFCGZVBTKDEAE-UHFFFAOYSA-N 0 0 427.895 5.384 50 30 IKEARN COc1ccc(-c2cc(C(F)F)nc(Nc3sc4c(c3C#N)CCCC4)n2)cc1OC ZINC000036613668 569123955 /nfs/dbraw/zinc/12/39/55/569123955.db2.gz SFFNXGXGTBBPOK-UHFFFAOYSA-N 0 0 442.491 5.654 50 30 IKEARN CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253537477 569125667 /nfs/dbraw/zinc/12/56/67/569125667.db2.gz DOMWKUIIPQCAJU-ZHSJGXMJSA-N 0 0 428.613 5.970 50 30 IKEARN CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1 ZINC000036629267 569127123 /nfs/dbraw/zinc/12/71/23/569127123.db2.gz GOXPVVIIQFTAGJ-ZHACJKMWSA-N 0 0 446.576 5.038 50 30 IKEARN COc1cccc(N=C(C=C2N(C)c3ccccc3N2C)SCc2ccc(C)cc2)c1 ZINC000588055448 569140285 /nfs/dbraw/zinc/14/02/85/569140285.db2.gz WGYCIRSKDDMZLC-UHFFFAOYSA-N 0 0 429.589 6.395 50 30 IKEARN CC(C)(C)c1csc([C@@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)CCO2)n1 ZINC000170621100 569147908 /nfs/dbraw/zinc/14/79/08/569147908.db2.gz MOPCDSXILNKFAP-KRWDZBQOSA-N 0 0 444.507 5.040 50 30 IKEARN C=CCn1c(SCc2ccc(C(=O)OC)o2)nc2scc(-c3cccs3)c2c1=O ZINC000009883539 569150136 /nfs/dbraw/zinc/15/01/36/569150136.db2.gz LODBQIIEKSLDTD-UHFFFAOYSA-N 0 0 444.559 5.044 50 30 IKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000013573897 569155744 /nfs/dbraw/zinc/15/57/44/569155744.db2.gz MEOXEEVLNODEMU-UHFFFAOYSA-N 0 0 435.408 5.572 50 30 IKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000013574010 569155774 /nfs/dbraw/zinc/15/57/74/569155774.db2.gz CATAJELJMMXTTG-UHFFFAOYSA-N 0 0 429.379 5.511 50 30 IKEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cnc1Cl ZINC000089589202 569159587 /nfs/dbraw/zinc/15/95/87/569159587.db2.gz UAFPFQAAMAEANS-UHFFFAOYSA-N 0 0 443.688 5.117 50 30 IKEARN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000014605389 569159598 /nfs/dbraw/zinc/15/95/98/569159598.db2.gz GDMYJMAPRZGDDJ-AREMUKBSSA-N 0 0 431.580 5.075 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)cc2)nc1SCc1ccccc1 ZINC000016732268 569160528 /nfs/dbraw/zinc/16/05/28/569160528.db2.gz OCNTUXGHHVYKDU-UHFFFAOYSA-N 0 0 449.295 6.694 50 30 IKEARN N#Cc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000016841193 569162666 /nfs/dbraw/zinc/16/26/66/569162666.db2.gz SEQIYKJWBFGWPV-UHFFFAOYSA-N 0 0 435.512 5.152 50 30 IKEARN C=CCn1s/c(=N\C(=N\c2ccccc2)c2ccccc2)n(Cc2ccccc2)c1=S ZINC000016890326 569165506 /nfs/dbraw/zinc/16/55/06/569165506.db2.gz FOVOXINAXRBTJL-YZYVWJRPSA-N 0 0 442.613 5.994 50 30 IKEARN C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904488 569167114 /nfs/dbraw/zinc/16/71/14/569167114.db2.gz MKEZSPQIFMKQBD-CYBMUJFWSA-N 0 0 445.375 5.366 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)cc(-c3ccccc3)c2C#N)c(C)c1 ZINC000002074118 569171270 /nfs/dbraw/zinc/17/12/70/569171270.db2.gz IFZMNJPQEJZLCD-UHFFFAOYSA-N 0 0 429.589 6.265 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000017097179 569173188 /nfs/dbraw/zinc/17/31/88/569173188.db2.gz INKNDIJRHADGJW-JOCHJYFZSA-N 0 0 430.577 5.537 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(Cl)cc1 ZINC000017145570 569174624 /nfs/dbraw/zinc/17/46/24/569174624.db2.gz LBSGRTAVMWOUBO-FQEVSTJZSA-N 0 0 448.872 6.045 50 30 IKEARN Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccnc2)c(Cl)c1 ZINC000008958794 569174629 /nfs/dbraw/zinc/17/46/29/569174629.db2.gz BZOMXYIEJCRHKY-DHRITJCHSA-N 0 0 440.359 5.821 50 30 IKEARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002087347 569177371 /nfs/dbraw/zinc/17/73/71/569177371.db2.gz MLPPBXWEZNLMTN-INIZCTEOSA-N 0 0 445.028 6.530 50 30 IKEARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002087351 569177383 /nfs/dbraw/zinc/17/73/83/569177383.db2.gz MLPPBXWEZNLMTN-MRXNPFEDSA-N 0 0 445.028 6.530 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000002086280 569177392 /nfs/dbraw/zinc/17/73/92/569177392.db2.gz VQPVWWRIJNKDHO-GFCCVEGCSA-N 0 0 431.945 5.975 50 30 IKEARN N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2ccc(Br)cc2)n1 ZINC000003356973 569177819 /nfs/dbraw/zinc/17/78/19/569177819.db2.gz WQHGUSKWVGQIGG-UHFFFAOYSA-N 0 0 429.705 5.132 50 30 IKEARN CCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002313158 569180752 /nfs/dbraw/zinc/18/07/52/569180752.db2.gz PSNXDSMYOAPOQM-UHFFFAOYSA-N 0 0 440.381 7.182 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000002522890 569180894 /nfs/dbraw/zinc/18/08/94/569180894.db2.gz UYQKKRFHYUXPFJ-UHFFFAOYSA-N 0 0 442.850 5.127 50 30 IKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)cc1 ZINC000002107037 569181213 /nfs/dbraw/zinc/18/12/13/569181213.db2.gz DYSUGTCDMNCRCS-ZMFRSBBQSA-N 0 0 444.483 5.551 50 30 biogenic IKEARN CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 ZINC000252430996 569183558 /nfs/dbraw/zinc/18/35/58/569183558.db2.gz XLLVCEWUWMRFCJ-QBCHSUENSA-N 0 0 443.635 6.570 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O ZINC000002128142 569184161 /nfs/dbraw/zinc/18/41/61/569184161.db2.gz FRBVDOPMDIZHET-IZVPMIMASA-N 0 0 444.870 5.883 50 30 biogenic IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O ZINC000002127921 569184162 /nfs/dbraw/zinc/18/41/62/569184162.db2.gz REVLGCJWUCABLD-JXZJKOHESA-N 0 0 436.463 5.629 50 30 biogenic IKEARN C=CCN1c2ccccc2C(=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C1=O ZINC000252460170 569184433 /nfs/dbraw/zinc/18/44/33/569184433.db2.gz CGLWHPDRLXTWGC-UHFFFAOYSA-N 0 0 441.556 5.533 50 30 IKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 ZINC000002150318 569187290 /nfs/dbraw/zinc/18/72/90/569187290.db2.gz YRGLKFYABDJLHS-DNRQZRRGSA-N 0 0 426.626 7.026 50 30 IKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccccc3)C3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 ZINC000002151247 569187301 /nfs/dbraw/zinc/18/73/01/569187301.db2.gz OOGDDBUSRLZRGE-RUZDIDTESA-N 0 0 434.539 5.659 50 30 IKEARN CC(C)(C)c1ccc(C(=O)Nc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)s2)cc1 ZINC000002152907 569187313 /nfs/dbraw/zinc/18/73/13/569187313.db2.gz JMLURHTWOJNDFZ-UHFFFAOYSA-N 0 0 439.522 5.019 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1)Nc1ccccc1 ZINC000002181406 569190420 /nfs/dbraw/zinc/19/04/20/569190420.db2.gz HEYJXCVXRKZQCY-YDZHTSKRSA-N 0 0 448.529 5.686 50 30 IKEARN Cc1ccc(C(=O)CSc2nsc(SCC(=O)c3ccc(C)cc3)c2C#N)cc1 ZINC000002190302 569190521 /nfs/dbraw/zinc/19/05/21/569190521.db2.gz IZLDKTMEMDTULS-UHFFFAOYSA-N 0 0 438.599 5.582 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000002184911 569190528 /nfs/dbraw/zinc/19/05/28/569190528.db2.gz XAJZRDVQUQZTAJ-HAHDFKILSA-N 0 0 430.529 5.474 50 30 IKEARN C=C(C)Cn1c(SCCCCCC)nc2ccc(I)cc2c1=O ZINC000002195145 569191340 /nfs/dbraw/zinc/19/13/40/569191340.db2.gz HILJIQAGUHKNOO-UHFFFAOYSA-N 0 0 442.366 5.250 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 ZINC000252590152 569191735 /nfs/dbraw/zinc/19/17/35/569191735.db2.gz APVAUAKEHDSZPH-UYJNXHFOSA-N 0 0 442.584 6.370 50 30 IKEARN CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252588673 569191749 /nfs/dbraw/zinc/19/17/49/569191749.db2.gz ADJNNHIPEIGAFE-SIFMURAYSA-N 0 0 428.557 6.511 50 30 IKEARN N#Cc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002209912 569191982 /nfs/dbraw/zinc/19/19/82/569191982.db2.gz GPTHYBLLJPHJBE-UHFFFAOYSA-N 0 0 432.936 5.664 50 30 IKEARN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(Cl)cc1 ZINC000252591344 569192619 /nfs/dbraw/zinc/19/26/19/569192619.db2.gz BAANWNOMPLSDIT-NYAPYVNCSA-N 0 0 445.997 5.733 50 30 IKEARN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(CCOC)C1=O ZINC000252592753 569192651 /nfs/dbraw/zinc/19/26/51/569192651.db2.gz BGOFCPTWTLESKZ-CMEWOCMCSA-N 0 0 432.545 5.489 50 30 IKEARN COc1cc(Br)c(N=Cc2c(O)ccc3ccccc32)c(Br)c1 ZINC000252591641 569192740 /nfs/dbraw/zinc/19/27/40/569192740.db2.gz BBRUFZNOVWWGMQ-UHFFFAOYSA-N 0 0 435.115 5.830 50 30 IKEARN CCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl ZINC000252593057 569192808 /nfs/dbraw/zinc/19/28/08/569192808.db2.gz BISOAEKHCGVFAS-NPGUWRAMSA-N 0 0 442.009 6.280 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1nc(-c2ccccc2)cn1N=Cc1ccccc1 ZINC000252593843 569192832 /nfs/dbraw/zinc/19/28/32/569192832.db2.gz BNBBLDQDZZCMRB-UHFFFAOYSA-N 0 0 445.320 5.651 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O ZINC000002203226 569192862 /nfs/dbraw/zinc/19/28/62/569192862.db2.gz HCJVAUWBSSUGAA-RNBXEWBNSA-N 0 0 448.877 6.382 50 30 IKEARN COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)SC2=Nc2ccccc2)cc1 ZINC000252594020 569192950 /nfs/dbraw/zinc/19/29/50/569192950.db2.gz BONVVIFJTJKCFX-ZYITZIQLSA-N 0 0 446.597 6.221 50 30 IKEARN COc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000252593816 569192959 /nfs/dbraw/zinc/19/29/59/569192959.db2.gz BMJXXZBZQDANFB-SIFMURAYSA-N 0 0 444.556 5.551 50 30 IKEARN CCOc1ccc(-c2nc3cc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1 ZINC000252594797 569192978 /nfs/dbraw/zinc/19/29/78/569192978.db2.gz BUOBPTIRIAHSKR-UHFFFAOYSA-N 0 0 431.404 5.281 50 30 IKEARN O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)S/C1=C\c1cccc(C(F)(F)F)c1 ZINC000252594876 569193022 /nfs/dbraw/zinc/19/30/22/569193022.db2.gz BWLFGIDXLHWSEC-YFYSXSMZSA-N 0 0 444.265 5.606 50 30 IKEARN C=CCN1c2ccccc2/C(=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)C1=O ZINC000252595046 569193074 /nfs/dbraw/zinc/19/30/74/569193074.db2.gz BXXRDAYKUQBRGG-SHXUIJRESA-N 0 0 437.524 5.398 50 30 IKEARN O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000252594496 569193090 /nfs/dbraw/zinc/19/30/90/569193090.db2.gz BSOCMNASONXDMO-XOLKAKTPSA-N 0 0 449.373 6.253 50 30 IKEARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(Cl)c1 ZINC000252598486 569193145 /nfs/dbraw/zinc/19/31/45/569193145.db2.gz DBRLQGAIQIOXTM-UHFFFAOYSA-N 0 0 442.354 5.358 50 30 IKEARN COc1ccc(-c2nc3cc(N=Cc4cc(C)cc(Br)c4O)ccc3o2)cc1 ZINC000252596204 569193209 /nfs/dbraw/zinc/19/32/09/569193209.db2.gz CHEYKAZUNKETNI-UHFFFAOYSA-N 0 0 437.293 6.031 50 30 IKEARN CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 ZINC000252599485 569193507 /nfs/dbraw/zinc/19/35/07/569193507.db2.gz DJXCHFFEDDAQMU-LJQANCHMSA-N 0 0 429.973 5.409 50 30 IKEARN Clc1ccc2c(c1)[C@@H](N1CCN(N=Cc3ccccc3)CC1)Cc1ccccc1S2 ZINC000252599693 569193522 /nfs/dbraw/zinc/19/35/22/569193522.db2.gz DKCQAMZCNYTQPS-QHCPKHFHSA-N 0 0 434.008 5.740 50 30 IKEARN S=C1C(=Nc2ccccc2)N(c2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252598732 569193541 /nfs/dbraw/zinc/19/35/41/569193541.db2.gz DCWAWJOUIVROSI-UHFFFAOYSA-N 0 0 432.552 6.759 50 30 IKEARN COc1cc(Br)cc(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000252600218 569193599 /nfs/dbraw/zinc/19/35/99/569193599.db2.gz DOXSPKCVVIJEHS-UHFFFAOYSA-N 0 0 441.256 5.861 50 30 IKEARN O=[N+]([O-])c1ccccc1/C=C\C=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000252601040 569193737 /nfs/dbraw/zinc/19/37/37/569193737.db2.gz DXECUDDQLCOJBO-DHJYBLJNSA-N 0 0 438.270 7.126 50 30 IKEARN COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252601952 569193878 /nfs/dbraw/zinc/19/38/78/569193878.db2.gz FEMIEZRCXCANGU-SBEYKLCGSA-N 0 0 436.536 6.657 50 30 IKEARN COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252601951 569193981 /nfs/dbraw/zinc/19/39/81/569193981.db2.gz FEMIEZRCXCANGU-OFGWUVNBSA-N 0 0 436.536 6.657 50 30 IKEARN CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 ZINC000252603477 569194184 /nfs/dbraw/zinc/19/41/84/569194184.db2.gz FSAKZRQTWREXPL-FNLGWUMESA-N 0 0 447.354 5.177 50 30 IKEARN CCOc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000252604387 569194390 /nfs/dbraw/zinc/19/43/90/569194390.db2.gz FZFSZHXVPDKCMF-SSEXGKCCSA-N 0 0 445.566 7.192 50 30 IKEARN C=CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 ZINC000252609019 569195344 /nfs/dbraw/zinc/19/53/44/569195344.db2.gz HPFLMCQXCXPFDO-YTGHUJMRSA-N 0 0 438.534 5.145 50 30 IKEARN CC(C)c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 ZINC000252611033 569197288 /nfs/dbraw/zinc/19/72/88/569197288.db2.gz IGFFUMXCISPLTO-UHFFFAOYSA-N 0 0 433.535 5.314 50 30 IKEARN CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252615176 569197535 /nfs/dbraw/zinc/19/75/35/569197535.db2.gz JQFLEOSSGQGCKX-QQAFOXPBSA-N 0 0 426.538 5.117 50 30 IKEARN CCCCCCCCCNC(=O)c1ccc(N=Cc2ccc(Br)cc2)cc1 ZINC000252615391 569197570 /nfs/dbraw/zinc/19/75/70/569197570.db2.gz JRUKIOYWSBEBTC-UHFFFAOYSA-N 0 0 429.402 6.680 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=Nc1ccccc1 ZINC000252616903 569197609 /nfs/dbraw/zinc/19/76/09/569197609.db2.gz KIDYNMCMMLZZCH-FUSVKQJLSA-N 0 0 449.488 5.487 50 30 IKEARN N=C(NN=C1c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccccc1Cl ZINC000252617063 569197680 /nfs/dbraw/zinc/19/76/80/569197680.db2.gz KLMQZKAIVVHJGY-UHFFFAOYSA-N 0 0 434.952 5.049 50 30 IKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O ZINC000252616695 569197696 /nfs/dbraw/zinc/19/76/96/569197696.db2.gz KDRHSIVWJBNKAY-IYAWTGHFSA-N 0 0 430.529 5.248 50 30 IKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn43)o2)c1 ZINC000252619165 569198179 /nfs/dbraw/zinc/19/81/79/569198179.db2.gz LNQWIURCBDNZKW-UHFFFAOYSA-N 0 0 432.823 6.167 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 ZINC000252620710 569199333 /nfs/dbraw/zinc/19/93/33/569199333.db2.gz MKGALFJXTVPANF-FNLGWUMESA-N 0 0 431.355 5.254 50 30 IKEARN Cc1cccc(N=C2S/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C ZINC000252620928 569201647 /nfs/dbraw/zinc/20/16/47/569201647.db2.gz MPHGYVPESXJXRT-RNBDAGHHSA-N 0 0 440.366 5.781 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1 ZINC000252622071 569201716 /nfs/dbraw/zinc/20/17/16/569201716.db2.gz NOASPRHBQUYARN-WXFUMESZSA-N 0 0 436.902 5.019 50 30 IKEARN CCc1ccc(/C=C2\SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1 ZINC000252621894 569201719 /nfs/dbraw/zinc/20/17/19/569201719.db2.gz NJKRWTLERJDADA-AEALBBRZSA-N 0 0 440.612 7.291 50 30 IKEARN C(=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1ccccc1 ZINC000252621911 569201754 /nfs/dbraw/zinc/20/17/54/569201754.db2.gz NJYHHTCFAHCIPJ-VSGBNLITSA-N 0 0 428.579 7.315 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1ccccc1N=Cc1c(O)ccc2ccccc21 ZINC000252622973 569201897 /nfs/dbraw/zinc/20/18/97/569201897.db2.gz OGXFNOMCIFLQRW-UHFFFAOYSA-N 0 0 445.316 6.515 50 30 IKEARN CCCOc1ccccc1/C=C1\SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O ZINC000252623334 569201982 /nfs/dbraw/zinc/20/19/82/569201982.db2.gz OOPHUGDEBSWVEU-SBEYKLCGSA-N 0 0 442.584 6.901 50 30 IKEARN CCOC(=O)C(=NNc1ccc(C)cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 ZINC000252622893 569202011 /nfs/dbraw/zinc/20/20/11/569202011.db2.gz OFDGIRDYFFEQAE-UHFFFAOYSA-N 0 0 449.532 5.217 50 30 IKEARN COc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O ZINC000252623758 569202157 /nfs/dbraw/zinc/20/21/57/569202157.db2.gz OYOOXVFUTXGTNZ-XKEFNESHSA-N 0 0 430.529 5.826 50 30 IKEARN C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002213586 569202169 /nfs/dbraw/zinc/20/21/69/569202169.db2.gz XCZYEMIWKUQXCK-UHFFFAOYSA-N 0 0 442.628 6.455 50 30 IKEARN Cc1ccc2c(c1)/C(=C1\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C1=O)C(=O)N2 ZINC000252624121 569202477 /nfs/dbraw/zinc/20/24/77/569202477.db2.gz PGTGMJXKKDIUMY-OHHJCTMOSA-N 0 0 439.540 5.743 50 30 IKEARN N=C(NN=C1c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccc(Cl)cc1 ZINC000252625106 569203055 /nfs/dbraw/zinc/20/30/55/569203055.db2.gz QDLCINIVFFODFR-UHFFFAOYSA-N 0 0 434.952 5.049 50 30 IKEARN CSC1=NC(=Nc2cccc(C)c2)C2(CCCCC2)N1c1ccc(Br)cc1 ZINC000252625552 569203164 /nfs/dbraw/zinc/20/31/64/569203164.db2.gz QMMYSSIOPBBGDF-UHFFFAOYSA-N 0 0 442.426 6.730 50 30 IKEARN C[C@@H]1CC/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000252625346 569203175 /nfs/dbraw/zinc/20/31/75/569203175.db2.gz QHSOFLQDNNTTDE-KWTYBBJMSA-N 0 0 430.460 6.081 50 30 IKEARN Cc1cc2nc(-c3cccc(N=C/C=C/c4cccc(Br)c4)c3)oc2c(C)c1 ZINC000252625964 569203177 /nfs/dbraw/zinc/20/31/77/569203177.db2.gz QTDZWJFNXCCVQT-NEFBHXCRSA-N 0 0 431.333 7.290 50 30 IKEARN Cc1[nH]nc(N=Cc2ccc(OCc3ccccc3)cc2)c1-c1cccc(Br)c1 ZINC000252625991 569203179 /nfs/dbraw/zinc/20/31/79/569203179.db2.gz QTOZMAVBNFKXQP-UHFFFAOYSA-N 0 0 446.348 6.477 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=Nc1ccc(OCC)cc1 ZINC000252625503 569203181 /nfs/dbraw/zinc/20/31/81/569203181.db2.gz QLLQUGNDJAOTRH-QHOMEFQRSA-N 0 0 435.343 5.455 50 30 IKEARN C[C@@H]1CC/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000252625347 569203213 /nfs/dbraw/zinc/20/32/13/569203213.db2.gz QHSOFLQDNNTTDE-NAADTMHKSA-N 0 0 430.460 6.081 50 30 IKEARN COc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OC ZINC000252626180 569203292 /nfs/dbraw/zinc/20/32/92/569203292.db2.gz QXYJCFCFJPHJHK-GCNWNYGFSA-N 0 0 444.556 6.129 50 30 IKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000252627159 569203408 /nfs/dbraw/zinc/20/34/08/569203408.db2.gz RNUUUNQDFWLRLC-VASVRFFCSA-N 0 0 436.920 5.863 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C ZINC000252626888 569203420 /nfs/dbraw/zinc/20/34/20/569203420.db2.gz RHQRPBLOUIICFI-ZCFNVVKZSA-N 0 0 445.500 6.169 50 30 IKEARN COc1cc(C=Nc2cccc3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252627119 569203421 /nfs/dbraw/zinc/20/34/21/569203421.db2.gz RNBUMJQTGZZVIV-UHFFFAOYSA-N 0 0 443.415 6.208 50 30 IKEARN CCOc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000252626801 569203436 /nfs/dbraw/zinc/20/34/36/569203436.db2.gz RFVVUCLNNPKHOI-MLSYBWHESA-N 0 0 444.556 6.216 50 30 IKEARN O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252627218 569203515 /nfs/dbraw/zinc/20/35/15/569203515.db2.gz RPATUCQHNBLEPW-RPAYCJQNSA-N 0 0 425.307 5.851 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252627381 569203524 /nfs/dbraw/zinc/20/35/24/569203524.db2.gz RTCHOQLYFPLBED-SBEYKLCGSA-N 0 0 442.584 6.629 50 30 IKEARN CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1 ZINC000252627400 569203543 /nfs/dbraw/zinc/20/35/43/569203543.db2.gz RTLJLZDGBLFTKC-AWAAXKIWSA-N 0 0 426.538 5.117 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)ccc1C ZINC000252628282 569203641 /nfs/dbraw/zinc/20/36/41/569203641.db2.gz SMPFGNYZGGTKIK-FQEVSTJZSA-N 0 0 441.984 5.412 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000252628450 569203664 /nfs/dbraw/zinc/20/36/64/569203664.db2.gz SQKWGNBLDPPRJC-UYJNXHFOSA-N 0 0 443.616 6.677 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)ccc1C ZINC000252628283 569203682 /nfs/dbraw/zinc/20/36/82/569203682.db2.gz SMPFGNYZGGTKIK-HXUWFJFHSA-N 0 0 441.984 5.412 50 30 IKEARN O=C(CSc1ccc(C=Nc2ccc3c(c2)oc2ccccc23)o1)Nc1ccccc1 ZINC000252629229 569203783 /nfs/dbraw/zinc/20/37/83/569203783.db2.gz UBRRRJDLUZYDGE-UHFFFAOYSA-N 0 0 426.497 6.660 50 30 IKEARN COc1ccc(N=C2SC(=NNc3ccccc3)SC2=Nc2ccc(OC)cc2)cc1 ZINC000252628843 569203790 /nfs/dbraw/zinc/20/37/90/569203790.db2.gz SZIBCHBDYJGDJV-UHFFFAOYSA-N 0 0 448.573 6.327 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000252628826 569203806 /nfs/dbraw/zinc/20/38/06/569203806.db2.gz SYSLHZGKUNLUIS-FJGBOTQNSA-N 0 0 442.968 5.522 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252629578 569203950 /nfs/dbraw/zinc/20/39/50/569203950.db2.gz UJJWFTAXTQKUBM-SIFMURAYSA-N 0 0 428.557 6.326 50 30 IKEARN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ccccc21 ZINC000252630221 569204125 /nfs/dbraw/zinc/20/41/25/569204125.db2.gz UXJFJMSIQZUTRE-CSFSZXLXSA-N 0 0 447.585 5.842 50 30 IKEARN COc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000252632448 569204844 /nfs/dbraw/zinc/20/48/44/569204844.db2.gz VTQQBIKOGKYPLQ-XKEFNESHSA-N 0 0 430.529 5.826 50 30 IKEARN COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O ZINC000252634463 569206365 /nfs/dbraw/zinc/20/63/65/569206365.db2.gz WOBPYWLILPGBNJ-JXJWTFEASA-N 0 0 430.529 5.826 50 30 IKEARN COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000252634597 569206937 /nfs/dbraw/zinc/20/69/37/569206937.db2.gz WOWVYLDBBKOZML-GUGSDYAWSA-N 0 0 444.556 6.129 50 30 IKEARN O=C(Oc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1)c1ccccc1Cl ZINC000002229290 569208315 /nfs/dbraw/zinc/20/83/15/569208315.db2.gz FEVMEEQGGGJKFT-UHFFFAOYSA-N 0 0 438.266 5.501 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 ZINC000252640075 569208466 /nfs/dbraw/zinc/20/84/66/569208466.db2.gz YQOVKDKXADMPFV-OJVQYLDISA-N 0 0 436.533 5.361 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 ZINC000252640074 569208486 /nfs/dbraw/zinc/20/84/86/569208486.db2.gz YQOVKDKXADMPFV-APPGCKKWSA-N 0 0 436.533 5.361 50 30 IKEARN O=C1/C(=C\c2c(F)c(F)c(F)c(F)c2F)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252640212 569208494 /nfs/dbraw/zinc/20/84/94/569208494.db2.gz YRJOGAFYKIZWSR-ZGYMJZPCSA-N 0 0 446.400 6.191 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)SC1=Nc1ccccc1 ZINC000252640193 569208533 /nfs/dbraw/zinc/20/85/33/569208533.db2.gz YQYIDYWBMUZUQE-ZYITZIQLSA-N 0 0 438.593 6.134 50 30 IKEARN Cc1ccc(N=C2S/C(=C3/c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252640703 569208713 /nfs/dbraw/zinc/20/87/13/569208713.db2.gz YWMICQGFRCHBFS-SHXUIJRESA-N 0 0 439.540 5.459 50 30 IKEARN CCN(CC)c1ccc2c(C)c(N=Cc3c4ccccc4cc4ccccc43)c(=O)oc2c1 ZINC000252641338 569209348 /nfs/dbraw/zinc/20/93/48/569209348.db2.gz ZCFAKNPNAFGZAS-UHFFFAOYSA-N 0 0 434.539 7.005 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252642721 569209478 /nfs/dbraw/zinc/20/94/78/569209478.db2.gz ZOXAJRNZBHQPAZ-SBEYKLCGSA-N 0 0 440.568 6.677 50 30 IKEARN N#Cc1cccc(N=c2oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000252668883 569209819 /nfs/dbraw/zinc/20/98/19/569209819.db2.gz FVNUFSFLIJWVGT-UHFFFAOYSA-N 0 0 441.288 5.843 50 30 IKEARN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000252679275 569210683 /nfs/dbraw/zinc/21/06/83/569210683.db2.gz KFLRDOVYKKZXMY-UHFFFAOYSA-N 0 0 437.728 6.159 50 30 IKEARN CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000252695352 569211189 /nfs/dbraw/zinc/21/11/89/569211189.db2.gz YSSYRCSUIQKJPD-UDVWVZSCSA-N 0 0 444.700 7.651 50 30 biogenic IKEARN C=C[C@H]1Oc2ccc(Br)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000003668707 569212044 /nfs/dbraw/zinc/21/20/44/569212044.db2.gz SAUDVEBWTPDHPK-LJQANCHMSA-N 0 0 430.386 6.075 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O ZINC000002237322 569212509 /nfs/dbraw/zinc/21/25/09/569212509.db2.gz WIRILWPNQWSSRS-UOKWBDCBSA-N 0 0 441.439 5.497 50 30 IKEARN Clc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)c(Cl)c1 ZINC000003150278 569213227 /nfs/dbraw/zinc/21/32/27/569213227.db2.gz AHYOQKRDCPFUJP-YCPBAFNGSA-N 0 0 445.689 6.934 50 30 IKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(C)c1Cl ZINC000003113710 569213280 /nfs/dbraw/zinc/21/32/80/569213280.db2.gz GXZMVDUPLCUEKH-NSKAYECMSA-N 0 0 445.733 7.528 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O ZINC000002241431 569213621 /nfs/dbraw/zinc/21/36/21/569213621.db2.gz WLWWRIHJERKYHR-UHFFFAOYSA-N 0 0 443.526 5.702 50 30 IKEARN CCCCCCNC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002249179 569214731 /nfs/dbraw/zinc/21/47/31/569214731.db2.gz VTQDLKZGQKBMQL-RWPZCVJISA-N 0 0 448.958 5.012 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000002248001 569214733 /nfs/dbraw/zinc/21/47/33/569214733.db2.gz LDLLRVFVYKVZDF-UHFFFAOYSA-N 0 0 428.601 6.244 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1F ZINC000002257466 569215320 /nfs/dbraw/zinc/21/53/20/569215320.db2.gz CAYPLBWXIOMWFB-UBFVSLLYSA-N 0 0 437.449 5.249 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000002258777 569215471 /nfs/dbraw/zinc/21/54/71/569215471.db2.gz NMMJOEFPUHGEBF-UVQVWFEYSA-N 0 0 445.588 5.873 50 30 IKEARN CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000002268709 569216433 /nfs/dbraw/zinc/21/64/33/569216433.db2.gz JSAPFWVGNMTSIW-AFUMVMLFSA-N 0 0 438.519 5.964 50 30 IKEARN COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1 ZINC000027500958 569216578 /nfs/dbraw/zinc/21/65/78/569216578.db2.gz IJMAFFQIRGMTFQ-ZMOGYAJESA-N 0 0 430.729 6.158 50 30 IKEARN N#Cc1c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2 ZINC000027520251 569218202 /nfs/dbraw/zinc/21/82/02/569218202.db2.gz FJUNCNZFYSAJPD-COOPMVRXSA-N 0 0 425.513 5.729 50 30 IKEARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(F)cc3)S2)c1 ZINC000027522331 569255164 /nfs/dbraw/zinc/25/51/64/569255164.db2.gz OARDIVULBYUSCY-XOFWUJAUSA-N 0 0 447.535 5.295 50 30 IKEARN CC(=O)c1c2cc(-c3ccccc3)ncn2c(C(=O)c2ccc(C#N)cc2)c1-c1ccccc1 ZINC000019910050 569257147 /nfs/dbraw/zinc/25/71/47/569257147.db2.gz KMMYQSXLHJOPIS-UHFFFAOYSA-N 0 0 441.490 5.974 50 30 IKEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@@H]1CC2 ZINC000036370809 569257776 /nfs/dbraw/zinc/25/77/76/569257776.db2.gz BNXIOYCVQJVXLJ-MTZWIHEPSA-N 0 0 434.617 6.332 50 30 IKEARN CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2s1 ZINC000138165851 569262882 /nfs/dbraw/zinc/26/28/82/569262882.db2.gz RBYDFXAPMDTYEB-IFCLKOLQSA-N 0 0 440.634 6.060 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@]12C ZINC000257347875 569263160 /nfs/dbraw/zinc/26/31/60/569263160.db2.gz XRLBQELEYBVDHJ-QBXCLPINSA-N 0 0 444.612 5.265 50 30 IKEARN Cc1ccc(-n2c3nc4ccccc4nc3c(C#N)c2NC(=O)/C=C/c2ccccc2)cc1 ZINC000002282712 569263588 /nfs/dbraw/zinc/26/35/88/569263588.db2.gz VDBKQFZDVAWQSD-DTQAZKPQSA-N 0 0 429.483 5.406 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c3ccccc3n2)cc1 ZINC000027528313 569263618 /nfs/dbraw/zinc/26/36/18/569263618.db2.gz RJMIHURSSBHGRG-UHFFFAOYSA-N 0 0 437.568 6.665 50 30 IKEARN CCCCCCCCCCOc1ccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002290058 569264701 /nfs/dbraw/zinc/26/47/01/569264701.db2.gz NRKBSAIZMBPFRO-VUTHCHCSSA-N 0 0 444.579 6.280 50 30 IKEARN CCCCCCCCOc1ccc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc1 ZINC000253414554 569266103 /nfs/dbraw/zinc/26/61/03/569266103.db2.gz XUBFFGKGEVZLAM-UHFFFAOYSA-N 0 0 443.547 6.980 50 30 biogenic IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2Cl)n1 ZINC000027532782 569266851 /nfs/dbraw/zinc/26/68/51/569266851.db2.gz PXSINBYKIFFTSF-HXUWFJFHSA-N 0 0 442.346 5.303 50 30 IKEARN COc1ccc(C2=C(/C=N/c3ccccc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002291318 569267919 /nfs/dbraw/zinc/26/79/19/569267919.db2.gz XWCCEOZZKMECFI-CLCCEFQUSA-N 0 0 447.534 7.042 50 30 IKEARN C=CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295387 569268146 /nfs/dbraw/zinc/26/81/46/569268146.db2.gz NZLJVUPSJGTHOQ-UHFFFAOYSA-N 0 0 444.600 5.944 50 30 biogenic IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002292582 569268240 /nfs/dbraw/zinc/26/82/40/569268240.db2.gz ZJRUPOJROHCWEQ-UHFFFAOYSA-N 0 0 442.628 6.634 50 30 biogenic IKEARN Cc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000002298447 569268419 /nfs/dbraw/zinc/26/84/19/569268419.db2.gz ALBDZYUIHVITIE-UHFFFAOYSA-N 0 0 427.573 5.582 50 30 biogenic IKEARN CCCOC(=O)c1ccc(-c2ccc(C=NN(Cc3ccccc3)c3ccccc3)o2)cc1 ZINC000239165290 569268611 /nfs/dbraw/zinc/26/86/11/569268611.db2.gz NVJLEJJBTQOHOE-UHFFFAOYSA-N 0 0 438.527 6.554 50 30 IKEARN COc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 ZINC000238924242 569268615 /nfs/dbraw/zinc/26/86/15/569268615.db2.gz RHUYASIFBKPRFF-UHFFFAOYSA-N 0 0 449.982 5.079 50 30 IKEARN COc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000239030688 569268623 /nfs/dbraw/zinc/26/86/23/569268623.db2.gz CGUCMZYRDIPULM-UHFFFAOYSA-N 0 0 445.386 5.185 50 30 IKEARN COc1cc(C=NN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 ZINC000238924108 569268665 /nfs/dbraw/zinc/26/86/65/569268665.db2.gz RAODBYKFQKPPRJ-UHFFFAOYSA-N 0 0 435.955 5.084 50 30 IKEARN C#CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002299615 569269116 /nfs/dbraw/zinc/26/91/16/569269116.db2.gz LZBUZSQHBIYYIF-UHFFFAOYSA-N 0 0 442.584 5.391 50 30 biogenic IKEARN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000245238998 569269568 /nfs/dbraw/zinc/26/95/68/569269568.db2.gz DJKUHJBPRWSFHW-RYNCOEESSA-N 0 0 430.654 6.502 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)cc1 ZINC000252429353 569271296 /nfs/dbraw/zinc/27/12/96/569271296.db2.gz GLANPKJYUZDVGV-UHFFFAOYSA-N 0 0 428.142 5.185 50 30 IKEARN CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\c4cc(C)cc(C)c4)NC3=O)o2)cc1 ZINC000002301136 569271383 /nfs/dbraw/zinc/27/13/83/569271383.db2.gz GIFVUZRHIIZLJU-HMAPJEAMSA-N 0 0 446.528 5.632 50 30 IKEARN O=C(c1cc(F)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 ZINC000002306126 569271718 /nfs/dbraw/zinc/27/17/18/569271718.db2.gz AJJLZQJXFPNRAY-DNQXCXABSA-N 0 0 440.854 5.247 50 30 IKEARN CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCCC3)cc1 ZINC000002316740 569272466 /nfs/dbraw/zinc/27/24/66/569272466.db2.gz LIHPXDCHBCHPTH-UHFFFAOYSA-N 0 0 427.595 5.194 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 ZINC000002318225 569272575 /nfs/dbraw/zinc/27/25/75/569272575.db2.gz XSSHVKXHRXHXKQ-KRWDZBQOSA-N 0 0 438.662 6.575 50 30 IKEARN CCCCCCC(C=Nn1c(=O)[nH]c2c3cc(F)ccc3[nH]c2c1=O)=Cc1ccccc1 ZINC000002310744 569272694 /nfs/dbraw/zinc/27/26/94/569272694.db2.gz VPINXZQWBLHRBQ-DPVRZMGRSA-N 0 0 432.499 5.198 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000253499465 569272859 /nfs/dbraw/zinc/27/28/59/569272859.db2.gz HNTMKSKJRZRWKS-BOSZYFBSSA-N 0 0 444.637 5.681 50 30 biogenic IKEARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc21 ZINC000002312682 569273006 /nfs/dbraw/zinc/27/30/06/569273006.db2.gz GAAQFTVQTCGEQL-LQKURTRISA-N 0 0 435.483 5.025 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@@]21C ZINC000254611909 569273943 /nfs/dbraw/zinc/27/39/43/569273943.db2.gz HAHDDRPLUQXNKO-VFQCGQLZSA-N 0 0 442.596 5.186 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc32)C1=O ZINC000002340644 569275033 /nfs/dbraw/zinc/27/50/33/569275033.db2.gz SPTWKSVDAFDCRZ-JYAWBRCSSA-N 0 0 446.532 5.382 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C ZINC000257346887 569279895 /nfs/dbraw/zinc/27/98/95/569279895.db2.gz CYPQELKXBYBDOE-OTXPBSGTSA-N 0 0 446.628 5.154 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]21C ZINC000257346886 569279919 /nfs/dbraw/zinc/27/99/19/569279919.db2.gz CYPQELKXBYBDOE-NPWAFTFVSA-N 0 0 446.628 5.154 50 30 IKEARN CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12 ZINC000257348675 569280274 /nfs/dbraw/zinc/28/02/74/569280274.db2.gz HXUGNDVVHVLCAY-KLDKZMGUSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@@H]4[C@@]3(C)C[C@H]1O2 ZINC000257350329 569280568 /nfs/dbraw/zinc/28/05/68/569280568.db2.gz WJIXKJVODIQPNM-VRNHRVQZSA-N 0 0 444.700 7.376 50 30 IKEARN CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1 ZINC000257350338 569280713 /nfs/dbraw/zinc/28/07/13/569280713.db2.gz WKPPTKDUKHFXEE-HQMUWCNFSA-N 0 0 428.701 7.276 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257350703 569280719 /nfs/dbraw/zinc/28/07/19/569280719.db2.gz ZJFYDPFCQFKJHC-GKLMFWPISA-N 0 0 430.677 7.740 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC[C@H]43)C2)cc1 ZINC000257355592 569280741 /nfs/dbraw/zinc/28/07/41/569280741.db2.gz BMEDGGDZYCTQMO-MPPHQWQQSA-N 0 0 442.621 5.601 50 30 IKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@H]1O ZINC000257355244 569280796 /nfs/dbraw/zinc/28/07/96/569280796.db2.gz ZGLHBRQAEXKACO-DVYFRBSJSA-N 0 0 428.657 5.727 50 30 IKEARN CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000253500190 569283474 /nfs/dbraw/zinc/28/34/74/569283474.db2.gz YSSYRCSUIQKJPD-WUGLEMOFSA-N 0 0 444.700 7.651 50 30 biogenic IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@H]12 ZINC000253502205 569283518 /nfs/dbraw/zinc/28/35/18/569283518.db2.gz MQYXUWHLBZFQQO-XKKTZVRPSA-N 0 0 426.729 8.025 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]12 ZINC000253502206 569283561 /nfs/dbraw/zinc/28/35/61/569283561.db2.gz MQYXUWHLBZFQQO-YLGWIKJRSA-N 0 0 426.729 8.025 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000253528835 569283781 /nfs/dbraw/zinc/28/37/81/569283781.db2.gz FHIHDASURXFVSB-UMARGTPLSA-N 0 0 444.585 7.913 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253531384 569283936 /nfs/dbraw/zinc/28/39/36/569283936.db2.gz IIMYCYVBVMITJJ-AHRQKPSYSA-N 0 0 425.657 6.062 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000253532008 569284051 /nfs/dbraw/zinc/28/40/51/569284051.db2.gz IKAYYSYGCHKPAB-SOPFQKITSA-N 0 0 443.716 6.987 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)s1 ZINC000253618270 569284425 /nfs/dbraw/zinc/28/44/25/569284425.db2.gz MPJRONGLSGYPDW-UHFFFAOYSA-N 0 0 434.171 5.247 50 30 IKEARN Cc1nc2sc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(N)c2c(-c2cccs2)c1C#N ZINC000000663265 569284863 /nfs/dbraw/zinc/28/48/63/569284863.db2.gz QEOAAIVJKSHDHS-UHFFFAOYSA-N 0 0 446.601 6.337 50 30 IKEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(Cl)c3Cl)n2)c1 ZINC000000662171 569284870 /nfs/dbraw/zinc/28/48/70/569284870.db2.gz IUNUTQZWCFMOIC-UHFFFAOYSA-N 0 0 444.343 5.666 50 30 IKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(Cl)c1 ZINC000000638336 569284882 /nfs/dbraw/zinc/28/48/82/569284882.db2.gz FKUBFJQZCBWXEX-UHFFFAOYSA-N 0 0 446.938 5.869 50 30 IKEARN C[C@@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000000658695 569284927 /nfs/dbraw/zinc/28/49/27/569284927.db2.gz TWYXZUGWLLZXOA-CYBMUJFWSA-N 0 0 447.507 5.670 50 30 IKEARN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N ZINC000000662212 569284929 /nfs/dbraw/zinc/28/49/29/569284929.db2.gz FSWVFIPAKGNGJD-UHFFFAOYSA-N 0 0 437.908 5.042 50 30 IKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000000712185 569285037 /nfs/dbraw/zinc/28/50/37/569285037.db2.gz BCXFBXQODHZFSH-UHFFFAOYSA-N 0 0 438.883 6.329 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C#N)c1C ZINC000000671763 569285088 /nfs/dbraw/zinc/28/50/88/569285088.db2.gz SESPAEOBFANPOT-UHFFFAOYSA-N 0 0 445.997 5.839 50 30 IKEARN CCOc1ccc(N=C(C)/C=C2/SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157276 569285763 /nfs/dbraw/zinc/28/57/63/569285763.db2.gz SWONQMMWZNRXGB-JKEOCYTISA-N 0 0 430.573 6.118 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002354222 569285814 /nfs/dbraw/zinc/28/58/14/569285814.db2.gz WLVVQLIZCFBEMH-UVQVWFEYSA-N 0 0 445.588 5.873 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002368816 569288784 /nfs/dbraw/zinc/28/87/84/569288784.db2.gz JYGFHRSPNHBRBT-STBIYBPSSA-N 0 0 442.567 5.058 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002375753 569289368 /nfs/dbraw/zinc/28/93/68/569289368.db2.gz KERASXBMVQIOAU-UHFFFAOYSA-N 0 0 436.943 5.937 50 30 IKEARN N#Cc1cc2c(N)c(C(=O)Nc3ccccc3SCc3ccc(F)cc3)sc2nc1N ZINC000020080979 569289504 /nfs/dbraw/zinc/28/95/04/569289504.db2.gz ZIOHSOUIIVMWJZ-UHFFFAOYSA-N 0 0 449.536 5.016 50 30 IKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008427311 569289636 /nfs/dbraw/zinc/28/96/36/569289636.db2.gz REGBTMIQQDFODC-UHFFFAOYSA-N 0 0 446.660 6.299 50 30 IKEARN CC(C)(C)c1ccc(-c2cc(-c3cccs3)c(C#N)c(SCc3cccs3)n2)cc1 ZINC000008396470 569289649 /nfs/dbraw/zinc/28/96/49/569289649.db2.gz ZZEREEDVESFFRD-UHFFFAOYSA-N 0 0 446.666 8.000 50 30 IKEARN Cc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 ZINC000008441199 569289755 /nfs/dbraw/zinc/28/97/55/569289755.db2.gz VPURSNQGAUSWFK-UHFFFAOYSA-N 0 0 448.635 8.186 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc(SCCC3OCCO3)c(C#N)c(-c3cccs3)c2C1 ZINC000008451236 569289938 /nfs/dbraw/zinc/28/99/38/569289938.db2.gz UYTOXDHIMRELBA-HNNXBMFYSA-N 0 0 428.623 5.688 50 30 IKEARN Cc1cc(-c2cccs2)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000008451110 569289945 /nfs/dbraw/zinc/28/99/45/569289945.db2.gz GEOIQWWXPMBPNY-UHFFFAOYSA-N 0 0 436.587 5.143 50 30 IKEARN N#Cc1c(SCc2ccccc2C(F)(F)F)nc2c(c1-c1cccs1)CCCC2 ZINC000008451008 569289968 /nfs/dbraw/zinc/28/99/68/569289968.db2.gz FTEPKIXQPCTRCC-UHFFFAOYSA-N 0 0 430.520 6.872 50 30 IKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)OC(C)(C)C)n2)cc1 ZINC000008451076 569289970 /nfs/dbraw/zinc/28/99/70/569289970.db2.gz VNARSHZZCVIMAT-UHFFFAOYSA-N 0 0 438.574 5.791 50 30 IKEARN N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008454521 569289979 /nfs/dbraw/zinc/28/99/79/569289979.db2.gz XTTIFXXOEDCBOM-UHFFFAOYSA-N 0 0 445.415 7.139 50 30 IKEARN N#Cc1cc(Oc2ccc(OCc3ccccc3)cc2)c(-n2nnc3ccccc32)cc1C#N ZINC000008450254 569289981 /nfs/dbraw/zinc/28/99/81/569289981.db2.gz MYQXAONAPAIARL-UHFFFAOYSA-N 0 0 443.466 5.535 50 30 IKEARN O=C(ON=C(CSc1ccccc1)CSc1ccccc1)c1ccc(Cl)cc1 ZINC000008857006 569291273 /nfs/dbraw/zinc/29/12/73/569291273.db2.gz OUAUNVUXZGVRPX-UHFFFAOYSA-N 0 0 427.978 6.437 50 30 IKEARN O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccc1F ZINC000008857194 569291398 /nfs/dbraw/zinc/29/13/98/569291398.db2.gz LEQPJZMHNPJLKR-MDZDMXLPSA-N 0 0 427.298 5.861 50 30 IKEARN O=C(/C=C/c1ccnn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000008857068 569291428 /nfs/dbraw/zinc/29/14/28/569291428.db2.gz XGFYJBGRDYSNLL-DUXPYHPUSA-N 0 0 446.643 6.142 50 30 IKEARN C#CCn1c(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008857051 569291463 /nfs/dbraw/zinc/29/14/63/569291463.db2.gz RDHHCCTZXIZXHW-UHFFFAOYSA-N 0 0 448.513 7.161 50 30 IKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008857053 569291479 /nfs/dbraw/zinc/29/14/79/569291479.db2.gz SHNWPOPNOQKKQB-UHFFFAOYSA-N 0 0 438.640 7.993 50 30 IKEARN N#CC1(C#N)[C@@H](C(=O)Nc2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000008873566 569291676 /nfs/dbraw/zinc/29/16/76/569291676.db2.gz YLXSTDGPKWLPCS-JKSUJKDBSA-N 0 0 435.108 5.142 50 30 IKEARN N#Cc1c(/C=C/c2ccc(F)cc2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 ZINC000008873206 569291710 /nfs/dbraw/zinc/29/17/10/569291710.db2.gz GBXNYXZIJQGOTF-YRNVUSSQSA-N 0 0 446.437 5.870 50 30 IKEARN N#CC1(C#N)[C@H](C(=O)Nc2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000008873567 569291755 /nfs/dbraw/zinc/29/17/55/569291755.db2.gz YLXSTDGPKWLPCS-CVEARBPZSA-N 0 0 435.108 5.142 50 30 IKEARN N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1SCc1ccc(Cl)cc1Cl ZINC000008873865 569291833 /nfs/dbraw/zinc/29/18/33/569291833.db2.gz WXKRBNGQPVOKAQ-UHFFFAOYSA-N 0 0 439.289 7.238 50 30 IKEARN N#Cc1ccc(Sc2cccc(C(F)(F)F)c2)c(NC(=O)Nc2ccccc2Cl)c1 ZINC000008873904 569291842 /nfs/dbraw/zinc/29/18/42/569291842.db2.gz XTJWEMKOZUPCPI-UHFFFAOYSA-N 0 0 447.869 7.026 50 30 IKEARN N#CC1(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000008873569 569291857 /nfs/dbraw/zinc/29/18/57/569291857.db2.gz YLXSTDGPKWLPCS-HZPDHXFCSA-N 0 0 435.108 5.142 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000008934394 569292601 /nfs/dbraw/zinc/29/26/01/569292601.db2.gz DOZLOPNZJUFYJT-UHFFFAOYSA-N 0 0 435.552 6.327 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1C#N ZINC000009130398 569293980 /nfs/dbraw/zinc/29/39/80/569293980.db2.gz FHPOTEJYQQSYNE-ZBFHGGJFSA-N 0 0 449.458 5.193 50 30 IKEARN CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3ccc(F)cc3)n2c1C ZINC000065315848 569294224 /nfs/dbraw/zinc/29/42/24/569294224.db2.gz OZPVEBYATUIHBO-UHFFFAOYSA-N 0 0 434.496 5.171 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002388841 569295982 /nfs/dbraw/zinc/29/59/82/569295982.db2.gz QYWLCTSGYQUKPH-UHFFFAOYSA-N 0 0 449.986 5.569 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NC3CCCCC3)n2)cc1 ZINC000009422131 569296100 /nfs/dbraw/zinc/29/61/00/569296100.db2.gz VKEBYXGHTLBJSN-UHFFFAOYSA-N 0 0 449.498 5.189 50 30 IKEARN CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3ccccc3)N3CCOCC3)o2)CC1 ZINC000027750358 569296513 /nfs/dbraw/zinc/29/65/13/569296513.db2.gz OKJUKSHRPFHBCQ-JVPYDEADSA-N 0 0 436.600 5.496 50 30 IKEARN O=C1SC[C@@H](Cc2ccccc2)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F ZINC000002396084 569298472 /nfs/dbraw/zinc/29/84/72/569298472.db2.gz PYZXFBJYZYNMCU-SECBINFHSA-N 0 0 435.311 5.502 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 ZINC000002398197 569298577 /nfs/dbraw/zinc/29/85/77/569298577.db2.gz XXZZEPXXENDOQO-JAIQZWGSSA-N 0 0 429.230 5.968 50 30 IKEARN C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000002403116 569299802 /nfs/dbraw/zinc/29/98/02/569299802.db2.gz JYEZQAIALKNHMA-NRFANRHFSA-N 0 0 448.862 5.057 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2Cl)c1=O ZINC000002409939 569300586 /nfs/dbraw/zinc/30/05/86/569300586.db2.gz UWWVFZLSTZUCPA-UHFFFAOYSA-N 0 0 445.954 5.907 50 30 IKEARN CCCCCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002410773 569300779 /nfs/dbraw/zinc/30/07/79/569300779.db2.gz DUXDTNWKQSYRMV-UHFFFAOYSA-N 0 0 440.544 5.109 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O ZINC000002412398 569301054 /nfs/dbraw/zinc/30/10/54/569301054.db2.gz NSHFAQYXXFWOPF-MYKKPKGFSA-N 0 0 436.435 5.047 50 30 IKEARN Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)cc1 ZINC000002428657 569302880 /nfs/dbraw/zinc/30/28/80/569302880.db2.gz MYPMKLZNDNABPC-NRFANRHFSA-N 0 0 436.515 5.267 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(C)cc3)ccc2C1=O ZINC000011869784 569303328 /nfs/dbraw/zinc/30/33/28/569303328.db2.gz KHOSNNIXTTXMDZ-ROTLSHHCSA-N 0 0 432.472 5.216 50 30 biogenic IKEARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2ccc(C)cc2)c1=O ZINC000002440972 569304142 /nfs/dbraw/zinc/30/41/42/569304142.db2.gz ONTBCVHPGIIMGB-LQKURTRISA-N 0 0 438.535 5.065 50 30 IKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O ZINC000002449068 569304722 /nfs/dbraw/zinc/30/47/22/569304722.db2.gz XKAPBHMAWFSKNQ-WQRHYEAKSA-N 0 0 441.302 5.654 50 30 IKEARN COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1 ZINC000002454281 569304777 /nfs/dbraw/zinc/30/47/77/569304777.db2.gz VSKNKMUPEYXLHA-UHFFFAOYSA-N 0 0 432.936 5.760 50 30 IKEARN COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000012661685 569304820 /nfs/dbraw/zinc/30/48/20/569304820.db2.gz PFLCXOYUUHWAGR-FBFLDQKCSA-N 0 0 439.640 5.984 50 30 biogenic IKEARN CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)cc1 ZINC000002450381 569304954 /nfs/dbraw/zinc/30/49/54/569304954.db2.gz QRGQDCKEVNFQMA-UHFFFAOYSA-N 0 0 426.545 5.805 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@@H](c3ccc(F)cc3)C12 ZINC000020090653 569304997 /nfs/dbraw/zinc/30/49/97/569304997.db2.gz JSRJIODJVUDTAP-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc3c(c2)OCCO3)nc1SCCc1ccccc1 ZINC000012959896 569305393 /nfs/dbraw/zinc/30/53/93/569305393.db2.gz KGYAEIQNBAUPRL-UHFFFAOYSA-N 0 0 442.462 5.745 50 30 IKEARN N#Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000013071099 569308995 /nfs/dbraw/zinc/30/89/95/569308995.db2.gz TYERXZCUZGYGAL-SANMLTNESA-N 0 0 431.495 5.468 50 30 IKEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1sc(-c2cccs2)nc1C ZINC000013095538 569309500 /nfs/dbraw/zinc/30/95/00/569309500.db2.gz ADBKLEAVUFHDCS-UHFFFAOYSA-N 0 0 449.351 5.432 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000013097393 569309791 /nfs/dbraw/zinc/30/97/91/569309791.db2.gz WWKNZHDBLFZQMI-UHFFFAOYSA-N 0 0 430.554 6.207 50 30 IKEARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000013112948 569310110 /nfs/dbraw/zinc/31/01/10/569310110.db2.gz KWOGSQGJSISVJT-UHFFFAOYSA-N 0 0 429.570 5.732 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@H]12 ZINC000254397363 569316572 /nfs/dbraw/zinc/31/65/72/569316572.db2.gz FVWJYYTZTCVBKE-XKKTZVRPSA-N 0 0 442.728 6.997 50 30 IKEARN Cc1cc(C)c(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(=O)[nH]1 ZINC000328594217 569317621 /nfs/dbraw/zinc/31/76/21/569317621.db2.gz ZMGRJTCZQJJSNY-KRWDZBQOSA-N 0 0 441.528 5.372 50 30 IKEARN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCN(c3cccc(C)c3)CC2)n1 ZINC000019820620 569330035 /nfs/dbraw/zinc/33/00/35/569330035.db2.gz XBQBIBRMPYRWRX-UHFFFAOYSA-N 0 0 435.984 5.026 50 30 IKEARN C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc21 ZINC000019820173 569330072 /nfs/dbraw/zinc/33/00/72/569330072.db2.gz OYMFJBLDDYBJGC-UHFFFAOYSA-N 0 0 425.554 5.021 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1 ZINC000019840976 569330178 /nfs/dbraw/zinc/33/01/78/569330178.db2.gz JESHTGSGZJLKAI-UHFFFAOYSA-N 0 0 433.939 5.712 50 30 IKEARN N#Cc1ccn2c(C(=O)c3ccc(-c4ccccc4)cc3)cc(C(=O)c3ccccc3)c2c1 ZINC000019833832 569330192 /nfs/dbraw/zinc/33/01/92/569330192.db2.gz DJIUXFUTQHIOBU-UHFFFAOYSA-N 0 0 426.475 5.940 50 30 IKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1 ZINC000019841451 569330218 /nfs/dbraw/zinc/33/02/18/569330218.db2.gz TWFLECLYFUYWKW-UHFFFAOYSA-N 0 0 437.996 6.464 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl ZINC000019841349 569330249 /nfs/dbraw/zinc/33/02/49/569330249.db2.gz AEVIWDMPEPQNCG-UHFFFAOYSA-N 0 0 437.902 5.461 50 30 IKEARN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)cc1CSc1ccc(Cl)cc1 ZINC000019841975 569330250 /nfs/dbraw/zinc/33/02/50/569330250.db2.gz RWDLYWLDZXGHKU-UHFFFAOYSA-N 0 0 448.035 7.034 50 30 IKEARN CCOc1ccc(-c2c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc(N)c2C#N)cc1 ZINC000019830926 569330254 /nfs/dbraw/zinc/33/02/54/569330254.db2.gz DYUCKKSVBIIINK-UHFFFAOYSA-N 0 0 448.935 5.282 50 30 IKEARN N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000019848311 569330310 /nfs/dbraw/zinc/33/03/10/569330310.db2.gz XRNILQTVVRXVCB-UHFFFAOYSA-N 0 0 448.551 5.945 50 30 IKEARN N#Cc1c(N)nc(SCc2cccc(Br)c2)c(C#N)c1-c1cccs1 ZINC000019852221 569330326 /nfs/dbraw/zinc/33/03/26/569330326.db2.gz GOGJOUIPQZDUAO-UHFFFAOYSA-N 0 0 427.352 5.190 50 30 IKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccc(Cl)cc1 ZINC000019900774 569331794 /nfs/dbraw/zinc/33/17/94/569331794.db2.gz NSJFKGUDUKIYLJ-UHFFFAOYSA-N 0 0 433.939 5.712 50 30 IKEARN Cc1ccc(C)c(Sc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)c1 ZINC000020007610 569332347 /nfs/dbraw/zinc/33/23/47/569332347.db2.gz JBERZPLSUSCKBM-UHFFFAOYSA-N 0 0 431.561 5.203 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000020071678 569333650 /nfs/dbraw/zinc/33/36/50/569333650.db2.gz ORDAQYJPJNSNSJ-GSDHBNRESA-N 0 0 433.486 5.418 50 30 IKEARN Cc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)c(O)c(Br)c1C ZINC000020075006 569333810 /nfs/dbraw/zinc/33/38/10/569333810.db2.gz MAUCLLMUUZPNGC-BHGWPJFGSA-N 0 0 436.309 5.771 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3noc4c3CCc3ccccc3-4)sc2C1 ZINC000020137772 569335306 /nfs/dbraw/zinc/33/53/06/569335306.db2.gz JDWZNYXLRZPBNZ-HNNXBMFYSA-N 0 0 431.561 5.777 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccccc3Cl)S2(=O)=O)c1 ZINC000020132690 569335414 /nfs/dbraw/zinc/33/54/14/569335414.db2.gz SEQQUBIYWOVZHE-HMAPJEAMSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)cc(C)c3)S2(=O)=O)c1 ZINC000020132794 569335453 /nfs/dbraw/zinc/33/54/53/569335453.db2.gz HKSARGOBRDVUGW-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 ZINC000020134151 569335581 /nfs/dbraw/zinc/33/55/81/569335581.db2.gz LKEWDCYFOAAIBX-QHCPKHFHSA-N 0 0 446.576 5.218 50 30 IKEARN Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)c1 ZINC000020344506 569361120 /nfs/dbraw/zinc/36/11/20/569361120.db2.gz DWZZWGJNDLWQJA-UHFFFAOYSA-N 0 0 439.485 5.352 50 30 IKEARN COc1ccc(N2CCN(C/C(=N\OCc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 ZINC000020365808 569361923 /nfs/dbraw/zinc/36/19/23/569361923.db2.gz YFONROQUUZVUGQ-BYCLXTJYSA-N 0 0 449.982 5.092 50 30 IKEARN N#Cc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)cc1 ZINC000020436120 569365354 /nfs/dbraw/zinc/36/53/54/569365354.db2.gz DCPTYWVQPDIZPX-UHFFFAOYSA-N 0 0 426.589 5.899 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000095909782 569375083 /nfs/dbraw/zinc/37/50/83/569375083.db2.gz FELCJAPFJOPHSD-MHYAHYFVSA-N 0 0 440.712 7.204 50 30 biogenic IKEARN Cc1ccccc1/C=C\C(=O)c1c(=O)n(C(C)C)c2ccc(Cl)cc2c1-c1ccccc1 ZINC000096265917 569387987 /nfs/dbraw/zinc/38/79/87/569387987.db2.gz UTNIVIKWTXGUOG-SSZFMOIBSA-N 0 0 441.958 7.107 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1c(F)cccc1Cl ZINC000096402198 569400462 /nfs/dbraw/zinc/40/04/62/569400462.db2.gz QMBOIQDSHDSPTQ-QBFSEMIESA-N 0 0 436.313 7.552 50 30 IKEARN O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 ZINC000096498791 569401015 /nfs/dbraw/zinc/40/10/15/569401015.db2.gz LVUSTTLJPLEOCA-GMGKOPGTSA-N 0 0 428.557 5.023 50 30 IKEARN N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CCC/C2=C/c1ccccc1 ZINC000096562068 569401052 /nfs/dbraw/zinc/40/10/52/569401052.db2.gz ZKZWLOXJLTVFIC-PLRJNAJWSA-N 0 0 444.603 7.789 50 30 IKEARN CCN(CC)c1ccc2c(c1)oc(=O)c(/C=N/Cc1ccccc1)c2NCc1ccccc1 ZINC000096562297 569401126 /nfs/dbraw/zinc/40/11/26/569401126.db2.gz XKZBNRAYENJDJT-ZTKZIYFRSA-N 0 0 439.559 5.870 50 30 IKEARN COc1ccccc1NC(=Nc1nnc(C)s1)N1N=C(C)S[C@@H]1c1ccc(C)cc1 ZINC000096576687 569401602 /nfs/dbraw/zinc/40/16/02/569401602.db2.gz TUYCFXVQUHBXOR-LJQANCHMSA-N 0 0 438.582 5.344 50 30 IKEARN C=CCN1C(=O)c2c3c(sc2N[C@H]1SCc1cccc(Cl)c1Cl)CCCC3 ZINC000096592224 569401889 /nfs/dbraw/zinc/40/18/89/569401889.db2.gz AHOXELPSWZCGFT-HXUWFJFHSA-N 0 0 439.433 6.204 50 30 IKEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000002493475 569405587 /nfs/dbraw/zinc/40/55/87/569405587.db2.gz FMPDRPSBKCXPIH-HNNXBMFYSA-N 0 0 443.569 5.119 50 30 IKEARN Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051622 569406782 /nfs/dbraw/zinc/40/67/82/569406782.db2.gz ACQYNELHLXNPJA-IIBYNOLFSA-N 0 0 435.321 5.704 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(OC)c3)c2c1 ZINC000028182401 569408563 /nfs/dbraw/zinc/40/85/63/569408563.db2.gz ZMTSAHWTAQYXDK-UHFFFAOYSA-N 0 0 443.499 6.324 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4C)ccc3C1=O)cn2C ZINC000028182459 569408702 /nfs/dbraw/zinc/40/87/02/569408702.db2.gz DJOPIGKWMZNAFR-ZRGSRPPYSA-N 0 0 425.484 5.691 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000028182800 569408755 /nfs/dbraw/zinc/40/87/55/569408755.db2.gz CYWOHMRXGGESRQ-MHBHXDGASA-N 0 0 446.547 5.224 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c2cc(OC)ccc21 ZINC000028182810 569408766 /nfs/dbraw/zinc/40/87/66/569408766.db2.gz RFWKINAAPLKRNK-QFEZKATASA-N 0 0 446.547 5.368 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(OC)cc4)c3C)C2=O)c2ccccc21 ZINC000028182524 569408786 /nfs/dbraw/zinc/40/87/86/569408786.db2.gz IXJXRKKPKRRWBK-YSMPRRRNSA-N 0 0 439.511 6.173 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2ccccc21 ZINC000028182838 569408925 /nfs/dbraw/zinc/40/89/25/569408925.db2.gz NZJVEMLDYNICJQ-RMHKOLRHSA-N 0 0 430.548 5.461 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccccc13)O2 ZINC000028182836 569408994 /nfs/dbraw/zinc/40/89/94/569408994.db2.gz WEINRUDCSGIPGT-ONUIUJJFSA-N 0 0 446.591 6.385 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2sc(C)c(C)c2c1=O ZINC000028381075 569409851 /nfs/dbraw/zinc/40/98/51/569409851.db2.gz FQNGRYZSULGJMS-UHFFFAOYSA-N 0 0 441.622 5.423 50 30 IKEARN N#CCCN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc(F)cc1 ZINC000002618434 569410522 /nfs/dbraw/zinc/41/05/22/569410522.db2.gz NFKBSTZXQDRFFE-UHFFFAOYSA-N 0 0 448.548 5.536 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccccc1 ZINC000002621894 569411133 /nfs/dbraw/zinc/41/11/33/569411133.db2.gz MSQLKFRKLJETTD-UHFFFAOYSA-N 0 0 448.617 5.634 50 30 IKEARN C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nc2sc(C)c(C)c2c1=O ZINC000002622448 569411164 /nfs/dbraw/zinc/41/11/64/569411164.db2.gz CKSPDTGVUYQFRE-UHFFFAOYSA-N 0 0 428.579 5.154 50 30 IKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C ZINC000002621836 569411194 /nfs/dbraw/zinc/41/11/94/569411194.db2.gz KRNDXZUYEYJWLA-UHFFFAOYSA-N 0 0 435.907 5.215 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccccc2)n1 ZINC000002625621 569411587 /nfs/dbraw/zinc/41/15/87/569411587.db2.gz VJIGPNQRBDVBKE-UHFFFAOYSA-N 0 0 438.553 5.598 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002625950 569411738 /nfs/dbraw/zinc/41/17/38/569411738.db2.gz PIDJRZPLJUYSRV-UHFFFAOYSA-N 0 0 442.535 5.438 50 30 IKEARN COc1ccc(/C=C2\Oc3c(c(C)cc4c3CN(CCc3cccs3)CO4)C2=O)cc1 ZINC000028541897 569411775 /nfs/dbraw/zinc/41/17/75/569411775.db2.gz UZIUYUBJNUDGQU-XKZIYDEJSA-N 0 0 433.529 5.076 50 30 IKEARN N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002631536 569412420 /nfs/dbraw/zinc/41/24/20/569412420.db2.gz GVCDIOONOCMIFH-UHFFFAOYSA-N 0 0 441.874 5.222 50 30 IKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)c1cc2ccccc2o1 ZINC000002635698 569412922 /nfs/dbraw/zinc/41/29/22/569412922.db2.gz TZUJHLKCGXYXJY-UHFFFAOYSA-N 0 0 433.533 5.327 50 30 IKEARN Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002638709 569413433 /nfs/dbraw/zinc/41/34/33/569413433.db2.gz LWBLUNZCUQCBSU-UHFFFAOYSA-N 0 0 447.608 5.004 50 30 IKEARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2C2CCCCC2)cc1 ZINC000028606469 569414333 /nfs/dbraw/zinc/41/43/33/569414333.db2.gz QZJCQVHXEQPHTN-UHFFFAOYSA-N 0 0 447.564 5.061 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)sc2C1 ZINC000002728135 569418073 /nfs/dbraw/zinc/41/80/73/569418073.db2.gz CVAAWKFNLNQBEO-LBPRGKRZSA-N 0 0 440.462 5.414 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(COCC(F)(F)C(F)F)cc3)sc2C1 ZINC000002727886 569418671 /nfs/dbraw/zinc/41/86/71/569418671.db2.gz ZWBAPQVGRLOZAO-LBPRGKRZSA-N 0 0 440.462 5.414 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)c1C#N ZINC000002736541 569418968 /nfs/dbraw/zinc/41/89/68/569418968.db2.gz ZLGFRGPRNUPEOI-UHFFFAOYSA-N 0 0 425.557 6.575 50 30 IKEARN CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc(OCC)c1OCC ZINC000002734281 569419089 /nfs/dbraw/zinc/41/90/89/569419089.db2.gz LGTDDBVYSFBMLA-UHFFFAOYSA-N 0 0 442.581 5.727 50 30 IKEARN CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)c2C#N)cc1 ZINC000002739309 569419231 /nfs/dbraw/zinc/41/92/31/569419231.db2.gz CLPDLIRHZNCABD-LEWJYISDSA-N 0 0 434.992 6.881 50 30 IKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000002742232 569419875 /nfs/dbraw/zinc/41/98/75/569419875.db2.gz KMVQYZAWHWLFOY-HXOBKFHXSA-N 0 0 432.614 6.607 50 30 IKEARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000002756890 569420379 /nfs/dbraw/zinc/42/03/79/569420379.db2.gz ZZTDCIIRPGOJRR-NUPZDWQCSA-N 0 0 438.270 7.126 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)cc1Br ZINC000002756757 569420397 /nfs/dbraw/zinc/42/03/97/569420397.db2.gz CAUNZQPNEDHVSW-UAPAKVGBSA-N 0 0 433.305 6.682 50 30 IKEARN N#Cc1c(NC(=O)c2cc(Br)ccc2OC(F)F)sc2c1CCCC2 ZINC000002790973 569421569 /nfs/dbraw/zinc/42/15/69/569421569.db2.gz ZJFFODJXFDDNDR-UHFFFAOYSA-N 0 0 427.270 5.115 50 30 IKEARN Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000002790908 569421599 /nfs/dbraw/zinc/42/15/99/569421599.db2.gz BYNAUSKQQZFGOL-QWHCGFSZSA-N 0 0 449.418 5.238 50 30 IKEARN Cc1ccc(C)c(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)c2C#N)c1 ZINC000002872891 569423744 /nfs/dbraw/zinc/42/37/44/569423744.db2.gz KMLNAZMBLZTHOM-UHFFFAOYSA-N 0 0 445.456 5.171 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000002875225 569423872 /nfs/dbraw/zinc/42/38/72/569423872.db2.gz JSLSKEOLLHWVNT-UHFFFAOYSA-N 0 0 428.513 6.003 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(F)c1 ZINC000002882047 569423927 /nfs/dbraw/zinc/42/39/27/569423927.db2.gz XUMJXVNIGRPGQC-UHFFFAOYSA-N 0 0 426.234 6.065 50 30 IKEARN N#Cc1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 ZINC000002880769 569423982 /nfs/dbraw/zinc/42/39/82/569423982.db2.gz LWQNZCHZUZJAGS-UHFFFAOYSA-N 0 0 447.585 5.204 50 30 IKEARN C=CCn1c(SCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)nnc1-c1ccco1 ZINC000029550659 569431480 /nfs/dbraw/zinc/43/14/80/569431480.db2.gz YBEMJRGILRPQKE-UHFFFAOYSA-N 0 0 446.532 5.277 50 30 IKEARN CCOc1ccccc1Nc1sc(C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1C#N ZINC000002962293 569432813 /nfs/dbraw/zinc/43/28/13/569432813.db2.gz QUFSTCZHBUYURL-UHFFFAOYSA-N 0 0 432.332 5.882 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1S[C@@H](CCC1CC1)c1ccccc1 ZINC000002981287 569433719 /nfs/dbraw/zinc/43/37/19/569433719.db2.gz CVDRPHRLIKSYGK-QHCPKHFHSA-N 0 0 438.518 7.663 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(O)cc2)N(c2ccccc2)C1=O ZINC000003021896 569436025 /nfs/dbraw/zinc/43/60/25/569436025.db2.gz FJBYRSYQUVIOPF-ZMPCKTLKSA-N 0 0 431.542 5.571 50 30 IKEARN CCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000003022903 569436076 /nfs/dbraw/zinc/43/60/76/569436076.db2.gz WTIWZVLRYLPRPC-UHFFFAOYSA-N 0 0 431.374 5.079 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2CC)ccc1F ZINC000003022659 569436091 /nfs/dbraw/zinc/43/60/91/569436091.db2.gz KPMYITGPPYUHGJ-UHFFFAOYSA-N 0 0 438.524 5.022 50 30 IKEARN CCc1ccc(-n2c3nc(SCC#N)n(-c4ccccc4)c(=O)c3sc2=S)cc1 ZINC000003026700 569436277 /nfs/dbraw/zinc/43/62/77/569436277.db2.gz IJYPYRQWYYEQEV-UHFFFAOYSA-N 0 0 436.587 5.145 50 30 IKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2 ZINC000230106321 569437489 /nfs/dbraw/zinc/43/74/89/569437489.db2.gz RGXYSKFXYUNLBJ-ITNZAGEZSA-N 0 0 442.467 5.708 50 30 IKEARN CCOC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)Nc2ccccc2)c1C#N ZINC000003046183 569438372 /nfs/dbraw/zinc/43/83/72/569438372.db2.gz OUQPQSDKDOOKFE-UHFFFAOYSA-N 0 0 432.505 5.234 50 30 IKEARN Cc1ccc(CN2c3ccccc3/C(=N/NC(=S)Nc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000003041265 569438405 /nfs/dbraw/zinc/43/84/05/569438405.db2.gz NNHBPTMSDLALAK-COOPMVRXSA-N 0 0 442.588 5.158 50 30 IKEARN CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000003041312 569438419 /nfs/dbraw/zinc/43/84/19/569438419.db2.gz JZRRLBWKXMJYFX-QYQHSDTDSA-N 0 0 448.979 5.140 50 30 IKEARN COc1ccc(-c2nc(-c3ccccc3)nc(SCc3ccc(Cl)cc3)c2C#N)cc1 ZINC000003041137 569438425 /nfs/dbraw/zinc/43/84/25/569438425.db2.gz KPOIXYDYPZPZLO-UHFFFAOYSA-N 0 0 443.959 6.637 50 30 IKEARN Cc1cccc(CN2c3ccccc3/C(=N/NC(=S)Nc3c(C)cc(C)cc3C)C2=O)c1 ZINC000003041409 569438426 /nfs/dbraw/zinc/43/84/26/569438426.db2.gz ULIBXWZEXJXZGS-COOPMVRXSA-N 0 0 442.588 5.158 50 30 IKEARN Cc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000003041289 569438436 /nfs/dbraw/zinc/43/84/36/569438436.db2.gz ABOQKWNJQOUHAM-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1C ZINC000003041569 569438458 /nfs/dbraw/zinc/43/84/58/569438458.db2.gz QMUOXRLGWSKDHL-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1ccc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000003041504 569438490 /nfs/dbraw/zinc/43/84/90/569438490.db2.gz JMRXUNOMOOJPBO-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000230138103 569439192 /nfs/dbraw/zinc/43/91/92/569439192.db2.gz WVXXEBLHRGPWQV-IMABZSNASA-N 0 0 446.635 6.498 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C/c4ccco4)C(=O)O3)cc2)cc1 ZINC000003053059 569439343 /nfs/dbraw/zinc/43/93/43/569439343.db2.gz MLVAAFTVDLTTCG-LHLOQNFPSA-N 0 0 427.544 7.194 50 30 IKEARN O=C(O/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 ZINC000003063971 569439620 /nfs/dbraw/zinc/43/96/20/569439620.db2.gz FTMUIWYKQQCISJ-QQTULTPQSA-N 0 0 425.271 5.101 50 30 IKEARN N#Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Sc1ccc(Cl)cc1 ZINC000003104501 569440276 /nfs/dbraw/zinc/44/02/76/569440276.db2.gz YWYVJCBHACKGGF-UHFFFAOYSA-N 0 0 433.747 6.922 50 30 IKEARN N#Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Sc1ccc(Cl)cc1 ZINC000003104500 569440292 /nfs/dbraw/zinc/44/02/92/569440292.db2.gz CPTPRJSDJXOEAK-UHFFFAOYSA-N 0 0 432.854 6.634 50 30 IKEARN C=CCOc1ccc(Br)cc1CN(C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003106104 569440330 /nfs/dbraw/zinc/44/03/30/569440330.db2.gz QAXNDGQIIZYRRR-UHFFFAOYSA-N 0 0 444.156 5.985 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)ccc1Cl ZINC000003113148 569440362 /nfs/dbraw/zinc/44/03/62/569440362.db2.gz AGVLQDFKPWXIJJ-YSURURNPSA-N 0 0 446.677 7.114 50 30 IKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1Cl ZINC000003113865 569440396 /nfs/dbraw/zinc/44/03/96/569440396.db2.gz HPIDOUZENCQXQL-KIBLKLHPSA-N 0 0 436.125 7.859 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1Cl ZINC000003113137 569440401 /nfs/dbraw/zinc/44/04/01/569440401.db2.gz JIVWGHDCJHAEMP-OPEKNORGSA-N 0 0 431.706 7.214 50 30 IKEARN N#Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)cnc1Oc1ccc(Cl)cc1Cl ZINC000003134273 569440758 /nfs/dbraw/zinc/44/07/58/569440758.db2.gz UWZWLBPLWZVJKR-UHFFFAOYSA-N 0 0 444.627 6.787 50 30 IKEARN COc1ccc(NC(=O)O/N=C(\c2ccccc2)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003134945 569440791 /nfs/dbraw/zinc/44/07/91/569440791.db2.gz VLSXBBAKRHSVIM-MTDXEUNCSA-N 0 0 449.816 5.764 50 30 IKEARN CCCCCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccccc2)c1C#N ZINC000003146475 569440822 /nfs/dbraw/zinc/44/08/22/569440822.db2.gz ITPODQNLMWVGGJ-UHFFFAOYSA-N 0 0 429.589 6.853 50 30 IKEARN CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003171405 569441181 /nfs/dbraw/zinc/44/11/81/569441181.db2.gz ZUGIMUDIVDQNJJ-GOSISDBHSA-N 0 0 448.430 5.651 50 30 IKEARN CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003171406 569441213 /nfs/dbraw/zinc/44/12/13/569441213.db2.gz ZUGIMUDIVDQNJJ-SFHVURJKSA-N 0 0 448.430 5.651 50 30 IKEARN Cc1ccc(NP(=O)(Nc2ccc(C)cc2)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000003200205 569441610 /nfs/dbraw/zinc/44/16/10/569441610.db2.gz BWUFJCQBTDFEKQ-UHFFFAOYSA-N 0 0 428.288 6.811 50 30 IKEARN C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O ZINC000003220468 569441972 /nfs/dbraw/zinc/44/19/72/569441972.db2.gz NIVQKFDCMPSBJF-LJQANCHMSA-N 0 0 429.570 5.538 50 30 IKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000003231571 569442311 /nfs/dbraw/zinc/44/23/11/569442311.db2.gz CUSNABCRHTZGIS-UHFFFAOYSA-N 0 0 445.529 6.786 50 30 IKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1F)C1C(=O)c3ccccc3C1=N2 ZINC000003257875 569443130 /nfs/dbraw/zinc/44/31/30/569443130.db2.gz RTHZACLUPASDJR-QFIPXVFZSA-N 0 0 425.438 5.624 50 30 IKEARN N#Cc1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000003267554 569443259 /nfs/dbraw/zinc/44/32/59/569443259.db2.gz XLELWPPGOTZGKX-UHFFFAOYSA-N 0 0 437.890 5.410 50 30 IKEARN O=C(c1ccc(Cl)c(Cl)c1)C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1 ZINC000003265520 569443392 /nfs/dbraw/zinc/44/33/92/569443392.db2.gz LRIRRHHSTXLGPM-UHFFFAOYSA-N 0 0 436.791 7.272 50 30 IKEARN Cc1ccc(C(=O)C2=C3NC(=O)c4c(-c5ccccc5)csc4N3Cc3ccccc32)cc1 ZINC000003267988 569443458 /nfs/dbraw/zinc/44/34/58/569443458.db2.gz VDFGSLCIWGCNIZ-UHFFFAOYSA-N 0 0 448.547 6.039 50 30 IKEARN C=CCn1c(SCc2cc(=O)oc3cc(C)c(Cl)cc23)nnc1C1CCCCC1 ZINC000003297302 569444800 /nfs/dbraw/zinc/44/48/00/569444800.db2.gz QOLZCTFFCMSWFS-UHFFFAOYSA-N 0 0 429.973 5.872 50 30 IKEARN COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C#N)c3ccccc3n2)cc1OC ZINC000003304960 569445164 /nfs/dbraw/zinc/44/51/64/569445164.db2.gz IOKBWLWGSVOBEU-UHFFFAOYSA-N 0 0 443.890 5.696 50 30 IKEARN N#Cc1c(NC(=O)CSc2ncnc3ccccc32)oc(-c2ccco2)c1-c1ccco1 ZINC000003305732 569445261 /nfs/dbraw/zinc/44/52/61/569445261.db2.gz JTACNQFZOJHLAE-UHFFFAOYSA-N 0 0 442.456 5.345 50 30 IKEARN N#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000003305523 569445263 /nfs/dbraw/zinc/44/52/63/569445263.db2.gz VKWFUEWZALEIIE-UHFFFAOYSA-N 0 0 443.355 6.247 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccccc2)ccc1Cl ZINC000003320529 569445971 /nfs/dbraw/zinc/44/59/71/569445971.db2.gz ZQBSVIOJCFYXMY-UHFFFAOYSA-N 0 0 441.936 5.078 50 30 IKEARN N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000003338145 569446718 /nfs/dbraw/zinc/44/67/18/569446718.db2.gz HMEASNAJGVFVKA-UHFFFAOYSA-N 0 0 441.874 5.222 50 30 IKEARN CCc1ccc(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2CC(C)C)cc1 ZINC000003339837 569446761 /nfs/dbraw/zinc/44/67/61/569446761.db2.gz HUZFULQWFPOENT-UHFFFAOYSA-N 0 0 437.525 5.007 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)c1 ZINC000003352570 569447453 /nfs/dbraw/zinc/44/74/53/569447453.db2.gz JEZPIHRCKQRZEJ-UHFFFAOYSA-N 0 0 434.561 5.191 50 30 IKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1c(F)cccc1F ZINC000003364571 569448094 /nfs/dbraw/zinc/44/80/94/569448094.db2.gz VVYQDDOIXCWRIX-UHFFFAOYSA-N 0 0 449.526 6.281 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1F ZINC000003378328 569448703 /nfs/dbraw/zinc/44/87/03/569448703.db2.gz MXKNLGGLVQDZPJ-UHFFFAOYSA-N 0 0 432.318 5.008 50 30 IKEARN C=CCn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@H]1COc2ccccc2O1 ZINC000003415007 569450213 /nfs/dbraw/zinc/45/02/13/569450213.db2.gz GGYXKZAFQSCDDZ-HXUWFJFHSA-N 0 0 448.573 5.392 50 30 IKEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000003421208 569450454 /nfs/dbraw/zinc/45/04/54/569450454.db2.gz XENXBMZLNOYUFX-UHFFFAOYSA-N 0 0 445.935 5.190 50 30 IKEARN C=CCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1 ZINC000003446324 569451394 /nfs/dbraw/zinc/45/13/94/569451394.db2.gz IHDXJCBMZIXGCY-UHFFFAOYSA-N 0 0 434.442 5.190 50 30 IKEARN COc1cc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)ccc1OCc1ccccc1C#N ZINC000030952916 569451632 /nfs/dbraw/zinc/45/16/32/569451632.db2.gz DPTQZUSDFNKGFM-VWLOTQADSA-N 0 0 442.906 5.635 50 30 IKEARN COc1ccc(Cn2cc(-c3ccccc3)c(C#N)c2/N=C/c2ccc(Cl)cc2)cc1 ZINC000003469596 569452072 /nfs/dbraw/zinc/45/20/72/569452072.db2.gz UGEMRESURWAQPG-MUFRIFMGSA-N 0 0 425.919 6.488 50 30 IKEARN Cc1c(Cl)cccc1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl ZINC000003587593 569454528 /nfs/dbraw/zinc/45/45/28/569454528.db2.gz PUILOROHPYTPNZ-BHGWPJFGSA-N 0 0 435.355 5.611 50 30 IKEARN CCC(=O)Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000003633806 569455446 /nfs/dbraw/zinc/45/54/46/569455446.db2.gz CYZNXHPBTVKKAQ-HHHXNRCGSA-N 0 0 427.500 5.837 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000004018585 569458174 /nfs/dbraw/zinc/45/81/74/569458174.db2.gz HJYQHNZJOCPURW-SANMLTNESA-N 0 0 441.531 6.124 50 30 IKEARN CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000004045883 569458391 /nfs/dbraw/zinc/45/83/91/569458391.db2.gz RAIRZMOPSFWTGI-UHFFFAOYSA-N 0 0 446.532 5.557 50 30 IKEARN COc1ccc(N2Cc3ccccc3C2=NC(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000254898402 569458483 /nfs/dbraw/zinc/45/84/83/569458483.db2.gz QJAGHBOYBSOUKL-UHFFFAOYSA-N 0 0 440.421 5.330 50 30 IKEARN Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c1 ZINC000004065378 569458550 /nfs/dbraw/zinc/45/85/50/569458550.db2.gz XBHTYHCLKUPMKQ-QDJRPKQISA-N 0 0 435.618 6.302 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c(C)c1 ZINC000004065381 569458573 /nfs/dbraw/zinc/45/85/73/569458573.db2.gz IOOUDWXTOUJXHG-SLJQUXCSSA-N 0 0 449.645 6.610 50 30 IKEARN C[C@@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 ZINC000004108364 569459096 /nfs/dbraw/zinc/45/90/96/569459096.db2.gz IBIGNXGUBHLRGR-SYHVYMAQSA-N 0 0 449.645 6.423 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1 ZINC000004109143 569459103 /nfs/dbraw/zinc/45/91/03/569459103.db2.gz BVJSFNFFKGSJEW-QDJRPKQISA-N 0 0 445.569 5.879 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\CCc2ccccc2)N(C2CCCCC2)C1=O ZINC000004108365 569459125 /nfs/dbraw/zinc/45/91/25/569459125.db2.gz XXKXHEMQEIRIBP-SLJQUXCSSA-N 0 0 449.645 5.904 50 30 IKEARN C[C@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1 ZINC000004108362 569459145 /nfs/dbraw/zinc/45/91/45/569459145.db2.gz IBIGNXGUBHLRGR-RYHPPPEMSA-N 0 0 449.645 6.423 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C1 ZINC000004156084 569460550 /nfs/dbraw/zinc/46/05/50/569460550.db2.gz UDUQVXVCJJJQOK-INIZCTEOSA-N 0 0 426.582 5.359 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc([N+](=O)[O-])o1)N2 ZINC000004165203 569460622 /nfs/dbraw/zinc/46/06/22/569460622.db2.gz MIXRBHVLJOQBJI-QHCPKHFHSA-N 0 0 429.432 5.005 50 30 IKEARN Cc1cc(-c2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000004177384 569460718 /nfs/dbraw/zinc/46/07/18/569460718.db2.gz WHWAPFYASGRGBF-YBFXNURJSA-N 0 0 439.880 5.708 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2)c1 ZINC000004211417 569460994 /nfs/dbraw/zinc/46/09/94/569460994.db2.gz XSMQONLGAOTDJP-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437602 569462157 /nfs/dbraw/zinc/46/21/57/569462157.db2.gz UYRZMXBDNRPXEX-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN COc1ccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1Cl ZINC000066437784 569462170 /nfs/dbraw/zinc/46/21/70/569462170.db2.gz TZOYNRWZYBMMNJ-UHFFFAOYSA-N 0 0 446.938 5.271 50 30 IKEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000066437747 569462174 /nfs/dbraw/zinc/46/21/74/569462174.db2.gz LNQQSOLWYZOADD-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000066437787 569462195 /nfs/dbraw/zinc/46/21/95/569462195.db2.gz CIMPTTBMBVQWGY-UHFFFAOYSA-N 0 0 434.902 5.401 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2ccc(OC)cc2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437676 569462201 /nfs/dbraw/zinc/46/22/01/569462201.db2.gz NKNCACWAWHREOM-UHFFFAOYSA-N 0 0 440.547 5.180 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1F ZINC000066437715 569462208 /nfs/dbraw/zinc/46/22/08/569462208.db2.gz NXWOZKMSVLSGSK-UHFFFAOYSA-N 0 0 432.474 5.195 50 30 IKEARN O=C(/C=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000008398626 569463235 /nfs/dbraw/zinc/46/32/35/569463235.db2.gz FCMDBCYIDNQJGM-XHQRYOPUSA-N 0 0 430.503 7.271 50 30 IKEARN Clc1ccc(/C=N/n2cc(-c3ccccc3)n3cc(-c4ccccc4)nc23)c(Cl)c1 ZINC000008437369 569464317 /nfs/dbraw/zinc/46/43/17/569464317.db2.gz VFVSXPCJCHEBLZ-MZJWZYIUSA-N 0 0 431.326 6.659 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1C(F)(F)F)CCCCCC2 ZINC000008451259 569465115 /nfs/dbraw/zinc/46/51/15/569465115.db2.gz MTZVYYZKMXLUCO-UHFFFAOYSA-N 0 0 437.462 5.501 50 30 IKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O ZINC000008464172 569465353 /nfs/dbraw/zinc/46/53/53/569465353.db2.gz QAUAXJHIFMEREE-QFIPXVFZSA-N 0 0 449.890 5.146 50 30 IKEARN N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000008708330 569470678 /nfs/dbraw/zinc/47/06/78/569470678.db2.gz ZEZDCDHKXDNEGP-UHFFFAOYSA-N 0 0 427.529 5.230 50 30 IKEARN C[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N ZINC000008710563 569470949 /nfs/dbraw/zinc/47/09/49/569470949.db2.gz WWYDROZIJODPRT-HNNXBMFYSA-N 0 0 436.309 5.552 50 30 IKEARN O=C(/C=C\c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000008733365 569472480 /nfs/dbraw/zinc/47/24/80/569472480.db2.gz XXGSRDUICMHAEF-JYRVWZFOSA-N 0 0 433.312 5.657 50 30 IKEARN COC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)SC(=Cc2c[nH]c3ccccc23)C1=O ZINC000008750238 569473378 /nfs/dbraw/zinc/47/33/78/569473378.db2.gz ZITXVNOSCMJZKG-IUXPMGMMSA-N 0 0 445.327 5.628 50 30 IKEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000008751896 569473446 /nfs/dbraw/zinc/47/34/46/569473446.db2.gz TYZPBQZNVYCPOV-MOHJPFBDSA-N 0 0 439.300 6.416 50 30 IKEARN N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2ccccc2Cl)c1 ZINC000008762204 569474292 /nfs/dbraw/zinc/47/42/92/569474292.db2.gz HCRJJGHBIMLRAE-UHFFFAOYSA-N 0 0 433.747 6.922 50 30 IKEARN CCCNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N ZINC000008762245 569474312 /nfs/dbraw/zinc/47/43/12/569474312.db2.gz GCQQSPIOWIGOTM-UHFFFAOYSA-N 0 0 429.376 6.436 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1SCc1ccccc1 ZINC000008762679 569474371 /nfs/dbraw/zinc/47/43/71/569474371.db2.gz WCLRORKFCRCLKV-WYMPLXKRSA-N 0 0 447.343 6.745 50 30 IKEARN CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000008771146 569475159 /nfs/dbraw/zinc/47/51/59/569475159.db2.gz CWOVYILZBWGNOO-JOCHJYFZSA-N 0 0 442.563 5.039 50 30 IKEARN CC(C)(C)c1ccc(C(=O)O/N=C2\CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000008781566 569475643 /nfs/dbraw/zinc/47/56/43/569475643.db2.gz IHZNGCXIKMSNGQ-DXXYHEOZSA-N 0 0 439.468 5.671 50 30 IKEARN COc1cccc(-c2c(C#N)c(SCc3cccs3)nc3c2C[C@@H](C(C)(C)C)CC3)c1 ZINC000008781202 569475646 /nfs/dbraw/zinc/47/56/46/569475646.db2.gz ZTOMHXIHDYCCPG-SFHVURJKSA-N 0 0 448.657 7.134 50 30 IKEARN COc1ccc(-c2ccc(/C=C3/S/C(=N/c4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000008780998 569475677 /nfs/dbraw/zinc/47/56/77/569475677.db2.gz SFHBNSRSDZRFBW-CIAFOILYSA-N 0 0 449.488 5.372 50 30 IKEARN CCCCn1c(NC(=O)c2ccccc2OC)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000008781756 569475709 /nfs/dbraw/zinc/47/57/09/569475709.db2.gz VEPPOBBDAPWJBZ-UHFFFAOYSA-N 0 0 449.554 6.755 50 30 IKEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000008783645 569475870 /nfs/dbraw/zinc/47/58/70/569475870.db2.gz DGLHXLMBPUNVAZ-VSKRKVRLSA-N 0 0 449.476 5.722 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(F)cc3)c2C#N)cc1 ZINC000008809574 569476511 /nfs/dbraw/zinc/47/65/11/569476511.db2.gz TWNWFMSUSCLWLP-UHFFFAOYSA-N 0 0 426.516 6.727 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc(F)c3)c2C#N)cc1 ZINC000008809688 569476524 /nfs/dbraw/zinc/47/65/24/569476524.db2.gz RSMBRVQTODUDDZ-UHFFFAOYSA-N 0 0 426.516 6.727 50 30 IKEARN CC(C)OC(=O)CC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008809601 569476545 /nfs/dbraw/zinc/47/65/45/569476545.db2.gz NQYNPTKVKGJQNX-UHFFFAOYSA-N 0 0 430.529 5.290 50 30 IKEARN Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)c1 ZINC000008818469 569477046 /nfs/dbraw/zinc/47/70/46/569477046.db2.gz QFYJFHQZABJNML-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN N#CCCn1cc(C2=NNC(=Nc3ccc(Cl)cc3Cl)SC2)c2ccccc21 ZINC000008824973 569477298 /nfs/dbraw/zinc/47/72/98/569477298.db2.gz QBGCCKOZTJQMGK-UHFFFAOYSA-N 0 0 428.348 5.781 50 30 IKEARN C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000008827438 569477612 /nfs/dbraw/zinc/47/76/12/569477612.db2.gz VPBQKMPLLZBNJV-NRFANRHFSA-N 0 0 444.512 5.181 50 30 IKEARN COc1ccc(-c2oc(/N=C/N3CCCCCC3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000008837247 569478123 /nfs/dbraw/zinc/47/81/23/569478123.db2.gz GVCCWRKLYXYUHA-MTDXEUNCSA-N 0 0 429.520 6.038 50 30 IKEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1 ZINC000008844527 569478609 /nfs/dbraw/zinc/47/86/09/569478609.db2.gz VHKIOYDTNRZTMB-UHFFFAOYSA-N 0 0 435.867 5.659 50 30 IKEARN N#Cc1c(SCCCOc2ccccc2)nc(-c2cccs2)cc1-c1cccc(F)c1 ZINC000008857470 569479853 /nfs/dbraw/zinc/47/98/53/569479853.db2.gz VNCNSSLTIXGCAH-UHFFFAOYSA-N 0 0 446.572 7.049 50 30 IKEARN C=CCN(C(=O)CSc1nnc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1 ZINC000008860914 569479946 /nfs/dbraw/zinc/47/99/46/569479946.db2.gz WQDFFVMZEGCDPO-UHFFFAOYSA-N 0 0 434.546 5.171 50 30 IKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 ZINC000008861289 569479995 /nfs/dbraw/zinc/47/99/95/569479995.db2.gz VVOWAHOVWWCWRD-NSKAYECMSA-N 0 0 443.303 6.338 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C)cc2)SC1=S ZINC000008872401 569480934 /nfs/dbraw/zinc/48/09/34/569480934.db2.gz QXFNKSZJMXWNEQ-ZHZULCJRSA-N 0 0 445.993 5.493 50 30 IKEARN FC(F)(F)c1ccccc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000008872374 569480967 /nfs/dbraw/zinc/48/09/67/569480967.db2.gz VYEYNXYGEZNVMX-CVKSISIWSA-N 0 0 441.461 5.070 50 30 IKEARN O=[N+]([O-])c1ccc(NN=Cc2cccc(OCCCOc3ccccc3Cl)c2)cc1 ZINC000008874978 569481083 /nfs/dbraw/zinc/48/10/83/569481083.db2.gz GASUOOKYOUCKER-LFVJCYFKSA-N 0 0 425.872 5.542 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c1C ZINC000008886298 569483217 /nfs/dbraw/zinc/48/32/17/569483217.db2.gz NWCLVJQCBKLLNE-HTAPYJJXSA-N 0 0 449.624 5.671 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C ZINC000008894104 569483656 /nfs/dbraw/zinc/48/36/56/569483656.db2.gz AMZSAFUXTCPTFQ-UHFFFAOYSA-N 0 0 431.565 5.341 50 30 IKEARN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000040049307 569483868 /nfs/dbraw/zinc/48/38/68/569483868.db2.gz YFHUGTGNTPUARE-DLBZAZTESA-N 0 0 444.560 5.034 50 30 IKEARN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000040049306 569483875 /nfs/dbraw/zinc/48/38/75/569483875.db2.gz YFHUGTGNTPUARE-IRXDYDNUSA-N 0 0 444.560 5.034 50 30 IKEARN C=CCN(C(=O)Cn1c2cnccc2nc1SCc1ccc(C)cc1)c1ccccc1 ZINC000008913028 569485176 /nfs/dbraw/zinc/48/51/76/569485176.db2.gz LBKKGIHACLJXEJ-UHFFFAOYSA-N 0 0 428.561 5.251 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1 ZINC000008915645 569485550 /nfs/dbraw/zinc/48/55/50/569485550.db2.gz MYKLJRRQRBXPSB-QJOMJCCJSA-N 0 0 427.569 7.242 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000008915603 569485578 /nfs/dbraw/zinc/48/55/78/569485578.db2.gz YBODEBHEIYPRLC-PLRJNAJWSA-N 0 0 439.555 7.554 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008919075 569486385 /nfs/dbraw/zinc/48/63/85/569486385.db2.gz HKJLZQPFRGSVSO-OAQYLSRUSA-N 0 0 444.487 5.527 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008919080 569486425 /nfs/dbraw/zinc/48/64/25/569486425.db2.gz HKJLZQPFRGSVSO-NRFANRHFSA-N 0 0 444.487 5.527 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc21 ZINC000008926857 569487312 /nfs/dbraw/zinc/48/73/12/569487312.db2.gz IBBMSKMQHGJUTR-JOCHJYFZSA-N 0 0 435.907 5.108 50 30 IKEARN Cc1ccc(NC=C2SC(=Nc3ccc(Br)cc3)N(C)C2=O)cc1Cl ZINC000008927948 569487383 /nfs/dbraw/zinc/48/73/83/569487383.db2.gz FUVQAWZQDAPQMG-YWGDSDGQSA-N 0 0 436.762 5.557 50 30 IKEARN O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(Cl)ccc1OCc1ccccc1 ZINC000008934201 569487938 /nfs/dbraw/zinc/48/79/38/569487938.db2.gz BJLHGORFIZVQSD-SOFGYWHQSA-N 0 0 441.310 6.335 50 30 IKEARN CC(C)(C)c1ccc(-c2cc(-c3cccs3)nc(SCc3cccs3)c2C#N)cc1 ZINC000008951205 569489783 /nfs/dbraw/zinc/48/97/83/569489783.db2.gz DZSOKWBDDKKZGJ-UHFFFAOYSA-N 0 0 446.666 8.000 50 30 IKEARN COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[C@@H](C(C)(C)C)CC3)c1 ZINC000008965037 569491317 /nfs/dbraw/zinc/49/13/17/569491317.db2.gz KAXHYVZWVXAUCZ-SFHVURJKSA-N 0 0 448.657 7.134 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccsc1 ZINC000008965075 569491321 /nfs/dbraw/zinc/49/13/21/569491321.db2.gz ISXHHSLHOQHZBA-ZLNRFVROSA-N 0 0 441.943 5.686 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1 ZINC000040140473 569491628 /nfs/dbraw/zinc/49/16/28/569491628.db2.gz QZLAYNKWUAXCBM-UONOGXRCSA-N 0 0 426.489 5.009 50 30 IKEARN N#Cc1c2c(c(-c3ccccc3)nc1SCc1ccc(Cl)c(Cl)c1)CCCC2 ZINC000008986388 569494838 /nfs/dbraw/zinc/49/48/38/569494838.db2.gz OBFFEOPTOOZOIJ-UHFFFAOYSA-N 0 0 425.384 7.098 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1OC ZINC000008990242 569495020 /nfs/dbraw/zinc/49/50/20/569495020.db2.gz CIZPPTWAPUYTET-UHFFFAOYSA-N 0 0 430.451 5.949 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 ZINC000008993431 569495421 /nfs/dbraw/zinc/49/54/21/569495421.db2.gz MCCWDRZGIFZKMH-ZMOGYAJESA-N 0 0 425.440 5.022 50 30 IKEARN O=[N+]([O-])c1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 ZINC000008994318 569495541 /nfs/dbraw/zinc/49/55/41/569495541.db2.gz VMSSRFACACSPJK-YXCSQOMQSA-N 0 0 446.510 6.701 50 30 IKEARN CCCC[S@](=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000008994479 569495551 /nfs/dbraw/zinc/49/55/51/569495551.db2.gz IEZCROJHWUNORM-HHHXNRCGSA-N 0 0 439.378 5.957 50 30 IKEARN O=C(/C=C/c1ccccc1Cl)c1cc(F)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009007825 569496155 /nfs/dbraw/zinc/49/61/55/569496155.db2.gz OOVWIWHLUZYJGQ-YRNVUSSQSA-N 0 0 425.799 5.503 50 30 IKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1O ZINC000009034257 569497265 /nfs/dbraw/zinc/49/72/65/569497265.db2.gz XCZAGJVIWOAYNA-BRJLIKDPSA-N 0 0 439.302 5.764 50 30 IKEARN CCOc1ccc(C(Cc2ccccc2)N=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000009042118 569497643 /nfs/dbraw/zinc/49/76/43/569497643.db2.gz WSIPHGISJCYIKB-IADYIPOJSA-N 0 0 442.588 6.028 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009043464 569497853 /nfs/dbraw/zinc/49/78/53/569497853.db2.gz WVONAXLVMLGYRK-OAQYLSRUSA-N 0 0 448.544 5.250 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009043377 569497874 /nfs/dbraw/zinc/49/78/74/569497874.db2.gz QNFJCCBMDFQFHQ-OAQYLSRUSA-N 0 0 432.545 5.666 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)c1cccs1 ZINC000009047256 569498522 /nfs/dbraw/zinc/49/85/22/569498522.db2.gz WAXGYPVOTDROEF-LSCVHKIXSA-N 0 0 440.860 5.103 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(CSc3nc4ccccc4[nH]3)c2)cc1 ZINC000009057718 569499215 /nfs/dbraw/zinc/49/92/15/569499215.db2.gz CXGDABXXZBWRFX-NTUHNPAUSA-N 0 0 430.529 5.769 50 30 IKEARN C=CCN1c2ccccc2[C@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O ZINC000009066589 569499929 /nfs/dbraw/zinc/49/99/29/569499929.db2.gz XBTHNDWNMHJLBQ-OZXSUGGESA-N 0 0 441.918 5.269 50 30 IKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000009076104 569500319 /nfs/dbraw/zinc/50/03/19/569500319.db2.gz ATNYRXDKWFKKHU-BRJLIKDPSA-N 0 0 435.321 6.639 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009086250 569500585 /nfs/dbraw/zinc/50/05/85/569500585.db2.gz VLDHWJMTQONKAI-HSZRJFAPSA-N 0 0 429.516 5.664 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009086251 569500625 /nfs/dbraw/zinc/50/06/25/569500625.db2.gz VLDHWJMTQONKAI-QHCPKHFHSA-N 0 0 429.516 5.664 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000245241927 569501183 /nfs/dbraw/zinc/50/11/83/569501183.db2.gz UELTYJDTQILMTO-OHRFLYHBSA-N 0 0 446.553 6.671 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S ZINC000009113192 569502532 /nfs/dbraw/zinc/50/25/32/569502532.db2.gz JIUOZIIBMSTVIA-WQRHYEAKSA-N 0 0 446.937 5.214 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)sc1C ZINC000009123673 569504196 /nfs/dbraw/zinc/50/41/96/569504196.db2.gz IPXNMDZBBAOBAZ-LJQANCHMSA-N 0 0 438.936 5.505 50 30 IKEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000009124690 569504406 /nfs/dbraw/zinc/50/44/06/569504406.db2.gz GIOTYPOMJYHBOR-MZNJEOGPSA-N 0 0 426.907 5.500 50 30 IKEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000009124689 569504449 /nfs/dbraw/zinc/50/44/49/569504449.db2.gz GIOTYPOMJYHBOR-XDHUDOTRSA-N 0 0 426.907 5.500 50 30 IKEARN N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000009124958 569504559 /nfs/dbraw/zinc/50/45/59/569504559.db2.gz BYVGWPDSOQNNSW-UHFFFAOYSA-N 0 0 441.874 5.222 50 30 IKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3ccccc3Cl)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000009129327 569505685 /nfs/dbraw/zinc/50/56/85/569505685.db2.gz MYVLDOMCMVGUBS-IBGZPJMESA-N 0 0 449.978 5.997 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H]3CCc4ccccc4C3=O)n2)cc1 ZINC000009129358 569505687 /nfs/dbraw/zinc/50/56/87/569505687.db2.gz FLHYFJDGWJRGJG-HHHXNRCGSA-N 0 0 446.575 6.886 50 30 IKEARN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)c2c[nH]c3ccccc32)c1OC ZINC000009129466 569505716 /nfs/dbraw/zinc/50/57/16/569505716.db2.gz WOOGOCIEDKHGGR-NRFANRHFSA-N 0 0 442.475 5.209 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H]3CCc4ccccc4C3=O)n2)cc1 ZINC000009129359 569505719 /nfs/dbraw/zinc/50/57/19/569505719.db2.gz FLHYFJDGWJRGJG-MHZLTWQESA-N 0 0 446.575 6.886 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(Cl)cc1)OCO4 ZINC000009129446 569505720 /nfs/dbraw/zinc/50/57/20/569505720.db2.gz NVUKDOCYWMUCEB-LJQANCHMSA-N 0 0 433.935 5.708 50 30 IKEARN C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000009130747 569506096 /nfs/dbraw/zinc/50/60/96/569506096.db2.gz LXWHWEQAUGUIRL-UHFFFAOYSA-N 0 0 434.414 5.440 50 30 IKEARN O=[N+]([O-])c1ccc2nc(-c3ccc(NC4=NCCCS4)cc3)cc(-c3ccccc3)c2c1 ZINC000009130836 569506196 /nfs/dbraw/zinc/50/61/96/569506196.db2.gz RQCKMMBUXRDLBK-UHFFFAOYSA-N 0 0 440.528 6.191 50 30 IKEARN CN(C)c1ccc(C(=NC(=O)c2cccc(OC(F)F)c2)c2ccc(N(C)C)cc2)cc1 ZINC000009139381 569507231 /nfs/dbraw/zinc/50/72/31/569507231.db2.gz PVDMQVBWQQBBKX-UHFFFAOYSA-N 0 0 437.490 5.098 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@@H]2c1cccc(Br)c1 ZINC000009152907 569507920 /nfs/dbraw/zinc/50/79/20/569507920.db2.gz XKEPVSNMDWHMTM-LJQANCHMSA-N 0 0 448.364 6.040 50 30 IKEARN C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1sccc1C#N ZINC000009156566 569508372 /nfs/dbraw/zinc/50/83/72/569508372.db2.gz IVLRFJOLVJKSBI-MRXNPFEDSA-N 0 0 432.574 5.331 50 30 IKEARN N#Cc1c2c(c(-c3ccccc3)nc1SCc1c(Cl)cccc1Cl)CCCC2 ZINC000009158023 569508465 /nfs/dbraw/zinc/50/84/65/569508465.db2.gz CCDWEYPOLRKWNU-UHFFFAOYSA-N 0 0 425.384 7.098 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccccc1Cl ZINC000009158174 569508474 /nfs/dbraw/zinc/50/84/74/569508474.db2.gz YWMSGJZBEPEUPC-JAIQZWGSSA-N 0 0 429.230 5.968 50 30 IKEARN Cc1sc2nc(SCC(=O)[C@@H](C#N)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000009164937 569508771 /nfs/dbraw/zinc/50/87/71/569508771.db2.gz YIPKUUCMKLNCEH-IBGZPJMESA-N 0 0 445.569 5.033 50 30 IKEARN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000009177725 569509710 /nfs/dbraw/zinc/50/97/10/569509710.db2.gz KQQBUTFVBPHWHZ-QFIPXVFZSA-N 0 0 446.890 5.081 50 30 IKEARN N#Cc1c2c(sc1NC(=S)Nc1sc3c(c1C#N)CCCCC3)CCCCC2 ZINC000009183489 569509841 /nfs/dbraw/zinc/50/98/41/569509841.db2.gz GSGRQVQDPULTHN-UHFFFAOYSA-N 0 0 426.636 5.900 50 30 IKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCCC(C)C)n42)COC(C)(C)C3)cc1 ZINC000009187343 569510295 /nfs/dbraw/zinc/51/02/95/569510295.db2.gz MNUMIOUVIUNZAV-UHFFFAOYSA-N 0 0 435.597 5.643 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1O ZINC000009189713 569510549 /nfs/dbraw/zinc/51/05/49/569510549.db2.gz XIXVULHATPSHKV-GFCCVEGCSA-N 0 0 449.363 5.263 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nnc1-c1ccncc1 ZINC000009192504 569510750 /nfs/dbraw/zinc/51/07/50/569510750.db2.gz IPYARAGDSRHVSO-UHFFFAOYSA-N 0 0 447.539 5.048 50 30 IKEARN COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H](C)C#N ZINC000009209121 569511522 /nfs/dbraw/zinc/51/15/22/569511522.db2.gz BLQNXUMHAQWJRA-SFHVURJKSA-N 0 0 442.544 5.526 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000009215743 569512029 /nfs/dbraw/zinc/51/20/29/569512029.db2.gz SIXRAWDDQDJTPY-XCZPVHLTSA-N 0 0 438.527 6.059 50 30 IKEARN N#Cc1c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)sc2c1C1CCN2CC1 ZINC000009233651 569513867 /nfs/dbraw/zinc/51/38/67/569513867.db2.gz JOKKUEFGUMAAPB-WKULSOCRSA-N 0 0 443.616 6.241 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009234752 569513986 /nfs/dbraw/zinc/51/39/86/569513986.db2.gz VKFFDQKYTSFJKJ-HXUWFJFHSA-N 0 0 430.485 5.289 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000009237382 569514220 /nfs/dbraw/zinc/51/42/20/569514220.db2.gz FELDPBAPVBFUGX-QFIPXVFZSA-N 0 0 440.524 5.696 50 30 IKEARN N#Cc1ccccc1/C=N/c1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000009239770 569514562 /nfs/dbraw/zinc/51/45/62/569514562.db2.gz OCZSBAXWOFPOEE-BIZUNTBRSA-N 0 0 443.937 7.844 50 30 IKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2cc(C)c3ccccc3n2)c1C#N ZINC000009245682 569515411 /nfs/dbraw/zinc/51/54/11/569515411.db2.gz LIDYPJUDHWFTSH-UHFFFAOYSA-N 0 0 430.533 5.205 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000009246690 569515458 /nfs/dbraw/zinc/51/54/58/569515458.db2.gz DIVLXFWHENWOGG-BOPFTXTBSA-N 0 0 434.344 5.845 50 30 IKEARN Cc1ccsc1-c1c(C#N)c(SCC(=O)Nc2nccs2)nc2c1CCCC2 ZINC000009254138 569516312 /nfs/dbraw/zinc/51/63/12/569516312.db2.gz GCHJWBWRAHFLQJ-UHFFFAOYSA-N 0 0 426.592 5.056 50 30 IKEARN N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000009257425 569516816 /nfs/dbraw/zinc/51/68/16/569516816.db2.gz IROCIONOFJSNBJ-UHFFFAOYSA-N 0 0 443.985 5.378 50 30 IKEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009261473 569516925 /nfs/dbraw/zinc/51/69/25/569516925.db2.gz AFXVEHLHXHVVBO-RHSMWYFYSA-N 0 0 444.988 5.318 50 30 IKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 ZINC000009271115 569517736 /nfs/dbraw/zinc/51/77/36/569517736.db2.gz MCVJPECZYLSNJA-OAQYLSRUSA-N 0 0 442.496 5.088 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000009271494 569517764 /nfs/dbraw/zinc/51/77/64/569517764.db2.gz UUYCYWLPNAIMEE-OAQYLSRUSA-N 0 0 444.487 5.527 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009271602 569517798 /nfs/dbraw/zinc/51/77/98/569517798.db2.gz UIMJMNCRBOQYJC-SFHVURJKSA-N 0 0 440.546 5.003 50 30 IKEARN O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009272480 569517908 /nfs/dbraw/zinc/51/79/08/569517908.db2.gz IRHZEHRSRKIZRW-FQEVSTJZSA-N 0 0 425.818 5.401 50 30 IKEARN COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 ZINC000009281180 569518553 /nfs/dbraw/zinc/51/85/53/569518553.db2.gz QUZVRGOKRCQNPD-UUYOSTAYSA-N 0 0 438.838 5.461 50 30 IKEARN COc1ccc2c(c1)c(CN=Nc1ncnc3scc(-c4ccccc4)c31)c(C)n2C ZINC000009293176 569520162 /nfs/dbraw/zinc/52/01/62/569520162.db2.gz BNWBHBFIFIHSHO-KKMKTNMSSA-N 0 0 427.533 5.613 50 30 IKEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000009296483 569520444 /nfs/dbraw/zinc/52/04/44/569520444.db2.gz CDXAPZWHOYAPTG-ZMOGYAJESA-N 0 0 437.908 5.624 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1 ZINC000009296664 569520509 /nfs/dbraw/zinc/52/05/09/569520509.db2.gz RYESILVHBIXAHY-CJLVFECKSA-N 0 0 444.512 5.196 50 30 IKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000009305195 569521215 /nfs/dbraw/zinc/52/12/15/569521215.db2.gz ZYWLIPCLIKKAIW-QWQNUTRASA-N 0 0 437.278 6.228 50 30 IKEARN Cc1cc(SCCOc2ccc(Br)cc2)n2c3ccccc3nc2c1C#N ZINC000009308134 569521434 /nfs/dbraw/zinc/52/14/34/569521434.db2.gz WIYDEASSBAMOBN-UHFFFAOYSA-N 0 0 438.350 5.601 50 30 IKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N[C@@H](C)c2ccccc2)cc1 ZINC000009308084 569521437 /nfs/dbraw/zinc/52/14/37/569521437.db2.gz VDOMZKUFTRTACE-NRFANRHFSA-N 0 0 430.555 6.740 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCC(=O)Nc1cccc(Cl)c1 ZINC000009307710 569521464 /nfs/dbraw/zinc/52/14/64/569521464.db2.gz CMHAPEPZQVPPSM-UHFFFAOYSA-N 0 0 434.952 5.614 50 30 IKEARN COc1ccc(N/N=C(/Sc2nnc(-c3ccccc3)n2-c2ccccc2)C(C)=O)cc1 ZINC000009309984 569521694 /nfs/dbraw/zinc/52/16/94/569521694.db2.gz BJFHCJZPMQNTKC-SLEBQGDGSA-N 0 0 443.532 5.050 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000009333841 569523105 /nfs/dbraw/zinc/52/31/05/569523105.db2.gz DTIKOKWTKCGQDW-NRFANRHFSA-N 0 0 446.572 5.840 50 30 IKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 ZINC000009331658 569523150 /nfs/dbraw/zinc/52/31/50/569523150.db2.gz ZSRYAQQDQCAALM-XXFSOJTLSA-N 0 0 425.484 5.186 50 30 IKEARN Cc1ccc2nc(Cl)c(CN=Nc3ncnc4scc(-c5ccccc5)c43)cc2c1 ZINC000009344914 569524077 /nfs/dbraw/zinc/52/40/77/569524077.db2.gz HQBLLKDCQVQDDC-LUOAPIJWSA-N 0 0 429.936 6.314 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2cccnc2c1 ZINC000009354802 569525111 /nfs/dbraw/zinc/52/51/11/569525111.db2.gz PWYPCMVWQCPFOW-GXDHUFHOSA-N 0 0 434.926 7.308 50 30 IKEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O ZINC000009357285 569525623 /nfs/dbraw/zinc/52/56/23/569525623.db2.gz ZETWLCDQKVYEKX-STXSBSPXSA-N 0 0 447.560 5.101 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009359086 569525666 /nfs/dbraw/zinc/52/56/66/569525666.db2.gz NFUIYLGWKYQGAO-IFMALSPDSA-N 0 0 439.939 5.221 50 30 IKEARN N#Cc1cc2c(nc1SC/C=C/CSc1nc3c(cc1C#N)CCCC3)CCCC2 ZINC000009371090 569526946 /nfs/dbraw/zinc/52/69/46/569526946.db2.gz DLBYDFDYRBXKHX-AATRIKPKSA-N 0 0 432.618 5.418 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl ZINC000009374865 569527229 /nfs/dbraw/zinc/52/72/29/569527229.db2.gz RGKVZZAQWZAPHF-NRFANRHFSA-N 0 0 448.862 5.340 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000009380471 569527883 /nfs/dbraw/zinc/52/78/83/569527883.db2.gz BFKTYGRUIHVHPY-DEOSSOPVSA-N 0 0 445.946 6.555 50 30 IKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000009380305 569527897 /nfs/dbraw/zinc/52/78/97/569527897.db2.gz YKUIWDOCWKLGNG-PIIWDFAUSA-N 0 0 440.562 7.103 50 30 IKEARN Cc1c(C#N)c(NC(=O)c2cc(Cl)ccc2Cl)sc1Cc1ccc2c(c1)OCO2 ZINC000009390672 569528698 /nfs/dbraw/zinc/52/86/98/569528698.db2.gz WVMCQHGNZXPBOH-UHFFFAOYSA-N 0 0 445.327 5.807 50 30 IKEARN Cc1c(C#N)c(NC(=O)c2cc(Cl)cc(Cl)c2)sc1Cc1ccc2c(c1)OCO2 ZINC000009390673 569528735 /nfs/dbraw/zinc/52/87/35/569528735.db2.gz ACENVVRWTAILNE-UHFFFAOYSA-N 0 0 445.327 5.807 50 30 IKEARN N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000009404398 569529679 /nfs/dbraw/zinc/52/96/79/569529679.db2.gz UFQOWJWPTUMMCJ-JFLMPSFJSA-N 0 0 441.265 6.475 50 30 IKEARN N#Cc1c(SCCCC(=O)N2CCc3ccccc32)nc2c(c1C(F)(F)F)CCCC2 ZINC000009421955 569532813 /nfs/dbraw/zinc/53/28/13/569532813.db2.gz GMRWIAUGJQFHOL-UHFFFAOYSA-N 0 0 445.510 5.312 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000009421960 569532829 /nfs/dbraw/zinc/53/28/29/569532829.db2.gz LQDBMUVTXLKXQX-UVHMKAGCSA-N 0 0 439.511 6.173 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4Cl)ccc3C1=O)cn2C ZINC000009421964 569532849 /nfs/dbraw/zinc/53/28/49/569532849.db2.gz RKJRSYUEALDFKR-OPEKNORGSA-N 0 0 445.902 6.036 50 30 IKEARN Cc1c2c(ccc1OC(=O)/C=C/c1ccccc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009421952 569532859 /nfs/dbraw/zinc/53/28/59/569532859.db2.gz OVYJDMMALFZLBV-KHSOTRJGSA-N 0 0 435.479 5.722 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(C#N)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000009423331 569532927 /nfs/dbraw/zinc/53/29/27/569532927.db2.gz DXFFEHIMWOHUBZ-MRXNPFEDSA-N 0 0 429.511 6.287 50 30 IKEARN COc1cccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 ZINC000009423947 569533026 /nfs/dbraw/zinc/53/30/26/569533026.db2.gz CMIGNURCZBRVSR-AFUMVMLFSA-N 0 0 425.484 5.691 50 30 IKEARN N#CC(=NNc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1 ZINC000009428198 569533465 /nfs/dbraw/zinc/53/34/65/569533465.db2.gz XZPYWJWCOKJINJ-XHPQRKPJSA-N 0 0 433.334 6.066 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009428052 569533486 /nfs/dbraw/zinc/53/34/86/569533486.db2.gz BZGYMWPZTVCURX-IBGZPJMESA-N 0 0 428.271 5.365 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000009433801 569534624 /nfs/dbraw/zinc/53/46/24/569534624.db2.gz FBYPDFQFWBGNMS-LJQANCHMSA-N 0 0 428.271 5.365 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(OCc2ccccc2)cc1 ZINC000009445144 569535801 /nfs/dbraw/zinc/53/58/01/569535801.db2.gz MFSGMVZXTSGGOA-SDNWHVSQSA-N 0 0 449.333 7.729 50 30 IKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000009446421 569535875 /nfs/dbraw/zinc/53/58/75/569535875.db2.gz QBVIKVKNAFUIKY-KFGDZMGLSA-N 0 0 425.484 5.268 50 30 IKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000009457637 569536772 /nfs/dbraw/zinc/53/67/72/569536772.db2.gz ZPBMBACIKDGMLR-HHKSSKBBSA-N 0 0 429.973 5.373 50 30 IKEARN C=C(C)Cn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000009461891 569537179 /nfs/dbraw/zinc/53/71/79/569537179.db2.gz TYUVPQDJSGGILT-UHFFFAOYSA-N 0 0 442.628 6.455 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009465137 569537864 /nfs/dbraw/zinc/53/78/64/569537864.db2.gz AGIIGYPVATZIIW-UVQVWFEYSA-N 0 0 444.604 5.540 50 30 IKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc3ccccc3n2C(C)C)c1C#N ZINC000009467440 569538378 /nfs/dbraw/zinc/53/83/78/569538378.db2.gz CPDIIEMULPPGAW-UHFFFAOYSA-N 0 0 447.564 5.279 50 30 IKEARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000009468671 569538695 /nfs/dbraw/zinc/53/86/95/569538695.db2.gz UNPLLBGUYFGDCX-SFHVURJKSA-N 0 0 448.573 5.158 50 30 IKEARN CCOc1ccc(-n2c3nc(SCC#N)n4c5ccccc5nc4c3sc2=S)cc1 ZINC000009474066 569539028 /nfs/dbraw/zinc/53/90/28/569539028.db2.gz VUOCNRSSEQQBIG-UHFFFAOYSA-N 0 0 449.586 5.632 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009477488 569539228 /nfs/dbraw/zinc/53/92/28/569539228.db2.gz IDCWOTQNBMNRCN-JOCHJYFZSA-N 0 0 448.906 5.307 50 30 IKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O ZINC000009486802 569539673 /nfs/dbraw/zinc/53/96/73/569539673.db2.gz XCANVDHZGAROIG-UKWGHVSLSA-N 0 0 443.293 5.277 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1Cl ZINC000009499961 569541495 /nfs/dbraw/zinc/54/14/95/569541495.db2.gz VJJSHCPNRQQKBD-UHFFFAOYSA-N 0 0 447.391 5.786 50 30 IKEARN CN(CC(=O)Nc1ccccc1SCC#N)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000009502944 569541735 /nfs/dbraw/zinc/54/17/35/569541735.db2.gz DLFNTZGUSWFCAC-UHFFFAOYSA-N 0 0 425.941 5.286 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000009530892 569545091 /nfs/dbraw/zinc/54/50/91/569545091.db2.gz PUNJQDNEQDEVMZ-QKKBWIMNSA-N 0 0 425.315 6.248 50 30 IKEARN C=CCNC(=S)N/N=C/c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 ZINC000009553634 569546732 /nfs/dbraw/zinc/54/67/32/569546732.db2.gz QWTWPCQXMXSMLY-MTDXEUNCSA-N 0 0 448.636 5.310 50 30 IKEARN Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=NN=c2[nH]c3ccccc3s2)c1 ZINC000009553663 569546761 /nfs/dbraw/zinc/54/67/61/569546761.db2.gz ICYVYXZPHUTFGZ-BUVRLJJBSA-N 0 0 448.504 5.417 50 30 IKEARN N#Cc1c(SCc2c(Cl)cccc2Cl)nc(-c2cccs2)c2c1CCCC2 ZINC000009554232 569546766 /nfs/dbraw/zinc/54/67/66/569546766.db2.gz IYLUTEVDAOXVTP-UHFFFAOYSA-N 0 0 431.413 7.160 50 30 IKEARN C=CCNC(=S)N/N=C/c1cn(CCOc2ccc([C@H](C)CC)cc2)c2ccccc12 ZINC000009554189 569546794 /nfs/dbraw/zinc/54/67/94/569546794.db2.gz WLBZRGFXYGYMOQ-IPISDEMTSA-N 0 0 434.609 5.218 50 30 IKEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1cc2cc(Br)ccc2o1 ZINC000009576519 569548134 /nfs/dbraw/zinc/54/81/34/569548134.db2.gz XQSFMPSDTNVLTQ-JAIQZWGSSA-N 0 0 440.293 5.113 50 30 IKEARN Cc1csc([C@@H](C#N)C(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)n1 ZINC000009586627 569549740 /nfs/dbraw/zinc/54/97/40/569549740.db2.gz CSMWJVWQNCSCSY-FQEVSTJZSA-N 0 0 444.585 5.581 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@@H]2c1ccc(Br)cc1 ZINC000009597505 569550950 /nfs/dbraw/zinc/55/09/50/569550950.db2.gz LMXNIIPRPXQZDN-LJQANCHMSA-N 0 0 448.364 6.040 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000009601020 569551541 /nfs/dbraw/zinc/55/15/41/569551541.db2.gz RKVRSJGSJWAWLW-RCRUUEGKSA-N 0 0 431.535 6.916 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000009605888 569551913 /nfs/dbraw/zinc/55/19/13/569551913.db2.gz IIWIDWWVLSOZEH-QHCPKHFHSA-N 0 0 443.528 5.105 50 30 IKEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608802 569552203 /nfs/dbraw/zinc/55/22/03/569552203.db2.gz ZRZQVYAFRNBQQO-KRWDZBQOSA-N 0 0 427.545 5.002 50 30 IKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 ZINC000009632068 569553933 /nfs/dbraw/zinc/55/39/33/569553933.db2.gz IRJNNDRVKASULE-UHFFFAOYSA-N 0 0 449.605 5.064 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12 ZINC000009635963 569554724 /nfs/dbraw/zinc/55/47/24/569554724.db2.gz WYQVEHPWYJMRAB-XMMPIXPASA-N 0 0 432.361 6.912 50 30 IKEARN C=CCn1c(C)cc(C(=O)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)c1C ZINC000009640296 569555422 /nfs/dbraw/zinc/55/54/22/569555422.db2.gz YRACFEYJCJSFCC-UHFFFAOYSA-N 0 0 425.532 5.168 50 30 IKEARN C=CCN(C(=O)CSc1nnc(-c2ccccc2C)o1)c1nc(-c2ccccc2)cs1 ZINC000009644275 569556000 /nfs/dbraw/zinc/55/60/00/569556000.db2.gz IRDIMHJZZFYSCP-UHFFFAOYSA-N 0 0 448.573 5.480 50 30 IKEARN C=CCNc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)s1 ZINC000009656248 569556556 /nfs/dbraw/zinc/55/65/56/569556556.db2.gz JHUANHFKUKKSHJ-UHFFFAOYSA-N 0 0 432.958 5.313 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccoc1C ZINC000009669855 569558145 /nfs/dbraw/zinc/55/81/45/569558145.db2.gz XOZAJZLWFVQNEG-UHFFFAOYSA-N 0 0 436.537 5.067 50 30 IKEARN CN(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1Cl ZINC000009671360 569558538 /nfs/dbraw/zinc/55/85/38/569558538.db2.gz MLFUAZVAMCTZFI-OAQYLSRUSA-N 0 0 435.980 5.396 50 30 IKEARN N#Cc1c(NC(=O)c2ccco2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000009679406 569559909 /nfs/dbraw/zinc/55/99/09/569559909.db2.gz HAPSWGJVUXSUDM-UHFFFAOYSA-N 0 0 433.467 6.180 50 30 IKEARN CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000009720632 569563320 /nfs/dbraw/zinc/56/33/20/569563320.db2.gz UHNDKKPQBIPCFW-JDQSIPCVSA-N 0 0 435.593 5.055 50 30 IKEARN N#Cc1ccc(CSc2ccccc2C(=O)NCCCn2cnc3ccccc32)cc1 ZINC000009726068 569563866 /nfs/dbraw/zinc/56/38/66/569563866.db2.gz AKAWGNVVQOCYLQ-UHFFFAOYSA-N 0 0 426.545 5.020 50 30 IKEARN CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21 ZINC000009731835 569564746 /nfs/dbraw/zinc/56/47/46/569564746.db2.gz KVOXDXHSFITRLK-QFIPXVFZSA-N 0 0 448.954 5.655 50 30 IKEARN CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(F)c2)C2=C1CC(C)(C)CC2=O ZINC000009775627 569566986 /nfs/dbraw/zinc/56/69/86/569566986.db2.gz FPUAGTAPWAXYEE-UHFFFAOYSA-N 0 0 437.599 6.702 50 30 IKEARN Cc1csc([C@@H](C#N)C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)n1 ZINC000009788901 569567979 /nfs/dbraw/zinc/56/79/79/569567979.db2.gz HVUPMRPYHFXBLL-HNNXBMFYSA-N 0 0 436.587 5.400 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000009805302 569568640 /nfs/dbraw/zinc/56/86/40/569568640.db2.gz SDHHXLUJMMYDQT-URAOTHONSA-N 0 0 446.550 6.701 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000009805303 569568704 /nfs/dbraw/zinc/56/87/04/569568704.db2.gz SDHHXLUJMMYDQT-JRPXNJEYSA-N 0 0 446.550 6.701 50 30 IKEARN CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)Nc3ccc(C#N)cc3)ccc21 ZINC000009805846 569568818 /nfs/dbraw/zinc/56/88/18/569568818.db2.gz JQVHQIWDFKPLBY-GOSISDBHSA-N 0 0 438.531 5.680 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000009835703 569570688 /nfs/dbraw/zinc/57/06/88/569570688.db2.gz WPTBMBKVXGEAJB-UHFFFAOYSA-N 0 0 427.529 5.030 50 30 IKEARN N#Cc1cccc(CSCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1 ZINC000009836302 569570748 /nfs/dbraw/zinc/57/07/48/569570748.db2.gz FSHDGGJKXKSZJS-NRFANRHFSA-N 0 0 435.936 5.416 50 30 IKEARN O=C(CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000009849826 569571382 /nfs/dbraw/zinc/57/13/82/569571382.db2.gz RTQUVIKQMWQVQF-FXFSXJFASA-N 0 0 435.936 5.505 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000009861075 569571931 /nfs/dbraw/zinc/57/19/31/569571931.db2.gz CFHUCWZHPCKDJB-JOCHJYFZSA-N 0 0 432.907 5.641 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009861229 569571958 /nfs/dbraw/zinc/57/19/58/569571958.db2.gz SVVDWRDMLAPSNF-NRFANRHFSA-N 0 0 442.496 5.093 50 30 IKEARN N#CCCN(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)c1ccccc1F ZINC000009885078 569572860 /nfs/dbraw/zinc/57/28/60/569572860.db2.gz BIOXVLBUBXTXJD-UHFFFAOYSA-N 0 0 448.548 5.536 50 30 IKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc(Br)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000009933306 569573685 /nfs/dbraw/zinc/57/36/85/569573685.db2.gz NJYDEZOSBWRDCZ-ZEQRLZLVSA-N 0 0 446.348 5.874 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1C1CCCCC1 ZINC000009963785 569575862 /nfs/dbraw/zinc/57/58/62/569575862.db2.gz ZBSWVTUDCICRJJ-UHFFFAOYSA-N 0 0 435.391 5.005 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@H]1c1cccc(Cl)c1 ZINC000009969650 569576092 /nfs/dbraw/zinc/57/60/92/569576092.db2.gz PTPHRRPTKJFIMD-LJQANCHMSA-N 0 0 432.303 5.156 50 30 IKEARN N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1[S@@](=O)Cc1ccccc1 ZINC000009971514 569576293 /nfs/dbraw/zinc/57/62/93/569576293.db2.gz XBSSRYFBBYABKP-WJOKGBTCSA-N 0 0 425.509 6.451 50 30 IKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000009971263 569576303 /nfs/dbraw/zinc/57/63/03/569576303.db2.gz RXJSTNSLRSRQDM-LRRRQAIWSA-N 0 0 440.543 6.631 50 30 IKEARN CC[C@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000009971558 569576307 /nfs/dbraw/zinc/57/63/07/569576307.db2.gz NXLFEMSJJVDVJP-SFHVURJKSA-N 0 0 438.578 5.018 50 30 IKEARN CCCC[S@](=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000009993078 569576980 /nfs/dbraw/zinc/57/69/80/569576980.db2.gz FSCYKXRZYATRJC-SSEXGKCCSA-N 0 0 436.602 5.894 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000010013554 569577071 /nfs/dbraw/zinc/57/70/71/569577071.db2.gz YLLVITODJAWYSI-RUZDIDTESA-N 0 0 447.554 5.279 50 30 IKEARN C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000010233175 569579484 /nfs/dbraw/zinc/57/94/84/569579484.db2.gz SWZZLHQBPWRKOK-NRFANRHFSA-N 0 0 444.512 5.181 50 30 IKEARN COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(OC)cc2)cc1 ZINC000010247592 569579817 /nfs/dbraw/zinc/57/98/17/569579817.db2.gz HEYQRLXRAWIVGU-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN Brc1ccc(-c2csc(N=NC3c4ccccc4-c4ccccc43)n2)cc1 ZINC000008427650 569582791 /nfs/dbraw/zinc/58/27/91/569582791.db2.gz XKUJOISENHCBBW-UHFFFAOYSA-N 0 0 432.346 6.418 50 30 IKEARN O=c1oc2ccc3ccccc3c2cc1-c1cnc(N=NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000009434493 569584249 /nfs/dbraw/zinc/58/42/49/569584249.db2.gz SYVISQYMONQDKO-BRJLIKDPSA-N 0 0 442.456 5.424 50 30 IKEARN COc1cccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1 ZINC000001851559 569584777 /nfs/dbraw/zinc/58/47/77/569584777.db2.gz IXCFPPQOBDPXBE-WGOQTCKBSA-N 0 0 442.544 5.785 50 30 IKEARN CCCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000100070956 569588180 /nfs/dbraw/zinc/58/81/80/569588180.db2.gz MFYGWCVLNPQWRR-UHFFFAOYSA-N 0 0 437.219 7.680 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000004073998 290671200 /nfs/dbraw/zinc/67/12/00/290671200.db2.gz FVWJYYTZTCVBKE-XPHLTCFUSA-N 0 0 442.728 6.997 50 30 biogenic IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc(F)cc1 ZINC000033905967 122900963 /nfs/dbraw/zinc/90/09/63/122900963.db2.gz SVOJEHXKRCNGSE-QUOYTPRUSA-N 0 0 429.542 5.218 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 ZINC000000631004 193863956 /nfs/dbraw/zinc/86/39/56/193863956.db2.gz GVFVTHRQZMBLLI-AKJBCIBTSA-N 0 0 444.918 6.048 50 30 IKEARN COc1ccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)c(C#N)c2N)cc1OC ZINC000000658786 193875629 /nfs/dbraw/zinc/87/56/29/193875629.db2.gz JPTVSUSNRFIJDA-UHFFFAOYSA-N 0 0 447.438 5.213 50 30 IKEARN N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(=O)c1ccc(Br)cc1 ZINC000006189564 193889255 /nfs/dbraw/zinc/88/92/55/193889255.db2.gz ZFNKKZWXZRYQKR-UHFFFAOYSA-N 0 0 439.334 5.828 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)NC2(C(F)(F)F)C(F)(F)F ZINC000002367842 132253072 /nfs/dbraw/zinc/25/30/72/132253072.db2.gz JPLIYAATNCPMGZ-UHFFFAOYSA-N 0 0 440.771 5.581 50 30 IKEARN N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1N1CCN(c2ccccc2)CC1 ZINC000002402724 132253968 /nfs/dbraw/zinc/25/39/68/132253968.db2.gz CQZJHOZEBWHZAK-UHFFFAOYSA-N 0 0 436.515 5.119 50 30 IKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(N3CCN(C)CC3)n2)cc1 ZINC000004489341 132272207 /nfs/dbraw/zinc/27/22/07/132272207.db2.gz HLPKXPCFCVDHKC-UHFFFAOYSA-N 0 0 437.374 5.654 50 30 IKEARN Fc1ccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)cc1 ZINC000100915907 518196198 /nfs/dbraw/zinc/19/61/98/518196198.db2.gz XZPQHGHMCLZIJL-BRPDVVIDSA-N 0 0 429.442 6.638 50 30 IKEARN CC(=O)c1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000012378353 518344031 /nfs/dbraw/zinc/34/40/31/518344031.db2.gz LSFDDONDDCSVML-UHFFFAOYSA-N 0 0 426.925 5.099 50 30 IKEARN C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843456 518456620 /nfs/dbraw/zinc/45/66/20/518456620.db2.gz KWDOIYRZCIZQHJ-OFWBYEQRSA-N 0 0 426.535 7.149 50 30 IKEARN C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843450 518457330 /nfs/dbraw/zinc/45/73/30/518457330.db2.gz KGTGRMXNKHFKTM-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000036028869 518459264 /nfs/dbraw/zinc/45/92/64/518459264.db2.gz MZWMSJYEFDKGQE-VNSNFZHPSA-N 0 0 438.358 5.761 50 30 IKEARN CC(N=Nc1cc(C(F)(F)F)ccn1)c1ccc(Oc2c(Cl)cncc2Cl)cc1 ZINC000012369964 518464761 /nfs/dbraw/zinc/46/47/61/518464761.db2.gz JRKZOUREDDMJQG-LUOAPIJWSA-N 0 0 441.240 6.431 50 30 IKEARN Cc1ccc(-c2nc3ccccc3c(N=NC(C)c3ccc(Br)cc3)n2)cc1 ZINC000016663411 518465498 /nfs/dbraw/zinc/46/54/98/518465498.db2.gz ZELMPEWMZRNOGZ-JVWAILMASA-N 0 0 431.337 6.204 50 30 IKEARN CC(C)CCCCCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000012401391 518465884 /nfs/dbraw/zinc/46/58/84/518465884.db2.gz VZPIYBMYVKNQKG-HAVVHWLPSA-N 0 0 428.489 5.934 50 30 IKEARN CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1c[nH]c2ccccc21 ZINC000059417925 518466660 /nfs/dbraw/zinc/46/66/60/518466660.db2.gz GWAPHAUMYKZWST-VTNSRFBWSA-N 0 0 434.507 5.676 50 30 IKEARN Cc1ccc(-c2c(CCC(C)N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])oc3ccccc32)o1 ZINC000009334948 518475501 /nfs/dbraw/zinc/47/55/01/518475501.db2.gz ZJLOVFYQNIAMQS-OYKKKHCWSA-N 0 0 448.435 6.238 50 30 IKEARN CNC(=O)[C@@H]1CCCc2sc(C=Cc3ccc(OCc4ccccc4)c(OC)c3)nc21 ZINC000328589755 518571080 /nfs/dbraw/zinc/57/10/80/518571080.db2.gz WRNCLRBJTOMSFM-XYDKVEKUSA-N 0 0 434.561 5.907 50 30 IKEARN C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2cccc(OC)c2OC)o1 ZINC000036202312 518587884 /nfs/dbraw/zinc/58/78/84/518587884.db2.gz RGFHFFABWBLDOL-UHFFFAOYSA-N 0 0 437.536 5.432 50 30 IKEARN C=C(C)CSc1nnc(SCc2csc(-c3ccc(OC)c(OC)c3)n2)s1 ZINC000012935434 518627417 /nfs/dbraw/zinc/62/74/17/518627417.db2.gz OWPJWOQGSNQJOP-UHFFFAOYSA-N 0 0 437.637 5.639 50 30 IKEARN C=C(C)[C@@H]1CC=C(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)CC1 ZINC000012191697 518641897 /nfs/dbraw/zinc/64/18/97/518641897.db2.gz XDODDCIKLIWNKI-LJQANCHMSA-N 0 0 447.048 5.130 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253498636 518644770 /nfs/dbraw/zinc/64/47/70/518644770.db2.gz FVWJYYTZTCVBKE-NUVSBHSESA-N 0 0 442.728 6.997 50 30 biogenic IKEARN C=C1S/C(=N\c2cccc(Cl)c2C)N(C(=O)c2c(F)cccc2F)C12CCCCC2 ZINC000012339013 518666945 /nfs/dbraw/zinc/66/69/45/518666945.db2.gz VONMTEZVDAVHKK-QYQHSDTDSA-N 0 0 446.950 7.020 50 30 IKEARN C=C1[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000013304931 518668424 /nfs/dbraw/zinc/66/84/24/518668424.db2.gz CRZLCZVPGSGGGD-HNRBIFIRSA-N 0 0 444.534 6.400 50 30 IKEARN C=CCCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1 ZINC000014966054 518694546 /nfs/dbraw/zinc/69/45/46/518694546.db2.gz HNNODYHRTBGTRI-FQEVSTJZSA-N 0 0 449.572 5.423 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2cccc(OC)c2OC)o1 ZINC000036202414 518696516 /nfs/dbraw/zinc/69/65/16/518696516.db2.gz QDWXDYCJMSUPOG-UHFFFAOYSA-N 0 0 427.585 5.829 50 30 IKEARN C=CCCC(=O)N[C@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000012242909 518696969 /nfs/dbraw/zinc/69/69/69/518696969.db2.gz JKSADICZNIGJLM-MRXNPFEDSA-N 0 0 433.021 5.737 50 30 IKEARN C=CCN(C(=O)COC(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1 ZINC000013095791 518731768 /nfs/dbraw/zinc/73/17/68/518731768.db2.gz HPTWUHLOZKAVNL-UHFFFAOYSA-N 0 0 446.450 5.205 50 30 IKEARN C=CCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1 ZINC000009407709 518736759 /nfs/dbraw/zinc/73/67/59/518736759.db2.gz BBPNPHXZHFIRNW-UHFFFAOYSA-N 0 0 429.950 5.189 50 30 IKEARN C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2c[nH]c3ccccc32)cs1 ZINC000066409963 518737581 /nfs/dbraw/zinc/73/75/81/518737581.db2.gz HOFWDMGUUBNFKN-UHFFFAOYSA-N 0 0 449.532 5.150 50 30 IKEARN C=CCN(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000012751991 518739018 /nfs/dbraw/zinc/73/90/18/518739018.db2.gz UQMVMSWGILLCFH-UHFFFAOYSA-N 0 0 448.569 5.200 50 30 IKEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)CCCCCC ZINC000035798866 518745423 /nfs/dbraw/zinc/74/54/23/518745423.db2.gz WUDARSKMRJYNOV-UHFFFAOYSA-N 0 0 426.626 5.570 50 30 IKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)CC ZINC000036048123 518758528 /nfs/dbraw/zinc/75/85/28/518758528.db2.gz DAWGRHDNKXPFLI-UHFFFAOYSA-N 0 0 430.552 5.026 50 30 IKEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000009531277 518795119 /nfs/dbraw/zinc/79/51/19/518795119.db2.gz XEIYIHOFFOFZDR-IWIPYMOSSA-N 0 0 428.484 5.690 50 30 IKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccc(OC)c1 ZINC000036106167 518795598 /nfs/dbraw/zinc/79/55/98/518795598.db2.gz OVTHGYGXEADIKD-UHFFFAOYSA-N 0 0 436.577 5.484 50 30 IKEARN C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000035979830 518801399 /nfs/dbraw/zinc/80/13/99/518801399.db2.gz DEKQWNDLFJJCNH-UHFFFAOYSA-N 0 0 434.754 5.720 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000012377937 518827241 /nfs/dbraw/zinc/82/72/41/518827241.db2.gz CUXIXMQHPVSDDF-UNOMPAQXSA-N 0 0 431.966 5.315 50 30 IKEARN C=CCN1C(=O)/C(=C\C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 ZINC000023335630 518830599 /nfs/dbraw/zinc/83/05/99/518830599.db2.gz ICRVXRARNJZVFP-ZUGOUDHMSA-N 0 0 440.568 5.295 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S ZINC000012343731 518833288 /nfs/dbraw/zinc/83/32/88/518833288.db2.gz FPKPCJGNHOORCE-HMMYKYKNSA-N 0 0 445.993 5.575 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(Cl)ccc1C ZINC000017084969 518845486 /nfs/dbraw/zinc/84/54/86/518845486.db2.gz UELOCFQDPDIFTQ-NWIBBQCFSA-N 0 0 427.957 5.103 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)S/C1=N\c1cccc(Cl)c1C ZINC000017084959 518846232 /nfs/dbraw/zinc/84/62/32/518846232.db2.gz JKQDMARGBGWDEQ-UOODYVSWSA-N 0 0 441.984 5.357 50 30 IKEARN C=CCN1c2ccccc2[C@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O ZINC000012379080 518879683 /nfs/dbraw/zinc/87/96/83/518879683.db2.gz XBTHNDWNMHJLBQ-BVAGGSTKSA-N 0 0 441.918 5.269 50 30 IKEARN C=CCNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000027017215 518881214 /nfs/dbraw/zinc/88/12/14/518881214.db2.gz BCAZJMZWVQRQFY-HAVVHWLPSA-N 0 0 432.907 5.205 50 30 IKEARN C=CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095217 518884476 /nfs/dbraw/zinc/88/44/76/518884476.db2.gz JIRNOIFZFASTCI-NDEPHWFRSA-N 0 0 449.554 5.381 50 30 IKEARN C=CCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c1 ZINC000037601102 518901607 /nfs/dbraw/zinc/90/16/07/518901607.db2.gz WQKUKRHNYWUTDS-UHFFFAOYSA-N 0 0 436.914 5.171 50 30 IKEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000034680146 518903261 /nfs/dbraw/zinc/90/32/61/518903261.db2.gz SKKPBGOIJDORAO-JOCHJYFZSA-N 0 0 441.575 5.317 50 30 IKEARN C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000037526831 518932710 /nfs/dbraw/zinc/93/27/10/518932710.db2.gz NNDMFBLEQIBLIA-UHFFFAOYSA-N 0 0 431.399 5.727 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000037280148 518968861 /nfs/dbraw/zinc/96/88/61/518968861.db2.gz FBUOQGQIWDTCNA-QGZVFWFLSA-N 0 0 431.866 5.138 50 30 IKEARN C=CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(CC)cc1 ZINC000009427225 518972898 /nfs/dbraw/zinc/97/28/98/518972898.db2.gz IFMSQQHWHAJATI-JOCHJYFZSA-N 0 0 446.576 5.151 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3c(Cl)cccc3Cl)sc2C1 ZINC000035109746 518977995 /nfs/dbraw/zinc/97/79/95/518977995.db2.gz AEFNJFRNTLIMGK-XPSMFNQNSA-N 0 0 433.404 6.729 50 30 IKEARN C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000013149828 519000199 /nfs/dbraw/zinc/00/01/99/519000199.db2.gz VFJFICFGMPMJPG-BJMVGYQFSA-N 0 0 432.270 5.217 50 30 IKEARN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000022135311 519002120 /nfs/dbraw/zinc/00/21/20/519002120.db2.gz PIXIVVCSXXSSGG-FQEVSTJZSA-N 0 0 436.895 5.408 50 30 IKEARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@]1(C=C(C(C)(C)C)C(=O)C(=O)C1C(C)(C)C)O2 ZINC000013510941 519004968 /nfs/dbraw/zinc/00/49/68/519004968.db2.gz DCQDNCVZSDHESB-MUUNZHRXSA-N 0 0 440.624 7.163 50 30 IKEARN CC(C)(C)c1ccc(-c2cc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)no2)cc1 ZINC000022640907 519007160 /nfs/dbraw/zinc/00/71/60/519007160.db2.gz PXIPJQUDARNNQU-UHFFFAOYSA-N 0 0 426.332 5.202 50 30 IKEARN C=CCOc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000015620115 519011624 /nfs/dbraw/zinc/01/16/24/519011624.db2.gz JDQMKGJZZKKWAG-PKNBQFBNSA-N 0 0 434.561 5.289 50 30 IKEARN C=CCOc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 ZINC000026531703 519016075 /nfs/dbraw/zinc/01/60/75/519016075.db2.gz MCVMEIZKSYOKKH-PTGBLXJZSA-N 0 0 436.536 5.203 50 30 IKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 ZINC000009306416 519023132 /nfs/dbraw/zinc/02/31/32/519023132.db2.gz DFZSSNONVFSAFH-CFRMEGHHSA-N 0 0 442.467 5.548 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000009046640 519028053 /nfs/dbraw/zinc/02/80/53/519028053.db2.gz XDMYLYYKULHGBB-XTEPFMGCSA-N 0 0 440.543 6.283 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000009070514 519028159 /nfs/dbraw/zinc/02/81/59/519028159.db2.gz WOTSSRIGUXFNKR-UKILVPOCSA-N 0 0 427.460 5.402 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000013551474 519030286 /nfs/dbraw/zinc/03/02/86/519030286.db2.gz FNUUFYIDPPKJOL-ILBGXUMGSA-N 0 0 445.450 5.541 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000012194246 519030295 /nfs/dbraw/zinc/03/02/95/519030295.db2.gz SIXRAWDDQDJTPY-IAPPQJPRSA-N 0 0 438.527 6.059 50 30 IKEARN C=CCOc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1 ZINC000002113896 519050063 /nfs/dbraw/zinc/05/00/63/519050063.db2.gz VNQNZAZPMBQKNI-HSZRJFAPSA-N 0 0 448.548 5.050 50 30 IKEARN C=CCOc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OCC=C)ccc1-2 ZINC000020615557 519050219 /nfs/dbraw/zinc/05/02/19/519050219.db2.gz UNRDWAMVNFNOHS-UHFFFAOYSA-N 0 0 427.460 5.569 50 30 IKEARN C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892386 519050336 /nfs/dbraw/zinc/05/03/36/519050336.db2.gz BBCGQJBABSMVJK-OAQYLSRUSA-N 0 0 425.941 5.174 50 30 IKEARN C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000002380450 519062950 /nfs/dbraw/zinc/06/29/50/519062950.db2.gz ZBSSXSFLXRTPFG-QHCPKHFHSA-N 0 0 427.456 5.005 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)N[C@@H](C)CC)n2Cc1ccc(C(F)(F)F)cc1 ZINC000035912882 519064132 /nfs/dbraw/zinc/06/41/32/519064132.db2.gz HXNWCHLLHIUWOA-INIZCTEOSA-N 0 0 430.470 5.802 50 30 IKEARN C=CCOc1ccccc1CN(Cc1cc(=O)n2ccccc2n1)c1ccc(C)c(C)c1 ZINC000023015700 519067870 /nfs/dbraw/zinc/06/78/70/519067870.db2.gz HVJZQFYTCHXXLF-UHFFFAOYSA-N 0 0 425.532 5.083 50 30 IKEARN CC(C)(C)c1csc(-c2ccc(/C=N/OC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000002152992 519077356 /nfs/dbraw/zinc/07/73/56/519077356.db2.gz WLBUJKHTBFEBOU-RPPGKUMJSA-N 0 0 432.467 6.317 50 30 IKEARN C=CCSc1nc2c(sc3nc(C)cc(C)c32)c(Sc2cccc(OC)c2)n1 ZINC000008888483 519080837 /nfs/dbraw/zinc/08/08/37/519080837.db2.gz SSFBPRSPGRMCCZ-UHFFFAOYSA-N 0 0 425.604 6.294 50 30 IKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087872 519082493 /nfs/dbraw/zinc/08/24/93/519082493.db2.gz ICGFXNPYEBNVNJ-UHFFFAOYSA-N 0 0 439.300 6.599 50 30 IKEARN C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088061 519083677 /nfs/dbraw/zinc/08/36/77/519083677.db2.gz HKTXJQWEDLUKFD-UHFFFAOYSA-N 0 0 445.293 7.023 50 30 IKEARN C=CCc1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(OC)c1 ZINC000002308612 519138630 /nfs/dbraw/zinc/13/86/30/519138630.db2.gz LFOMRRFZECWVKR-UHFFFAOYSA-N 0 0 446.934 5.533 50 30 IKEARN C=CCc1ccccc1OCCCCn1c(CSc2ccccc2)nc2ccccc21 ZINC000035143425 519143066 /nfs/dbraw/zinc/14/30/66/519143066.db2.gz ZNMLECODSOCCNE-UHFFFAOYSA-N 0 0 428.601 6.916 50 30 IKEARN C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 ZINC000044085769 519147997 /nfs/dbraw/zinc/14/79/97/519147997.db2.gz QSZSKFTWWYWWBX-UHFFFAOYSA-N 0 0 442.382 5.538 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\N=C\c1ccccc1 ZINC000027015940 519148367 /nfs/dbraw/zinc/14/83/67/519148367.db2.gz MXCFGWDMGPHRQX-NDQAOLADSA-N 0 0 442.544 5.491 50 30 IKEARN C=CCn1c(-c2ccc(F)cc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000100114419 519148609 /nfs/dbraw/zinc/14/86/09/519148609.db2.gz KUYPYENQWNZOFJ-IMVLJIQESA-N 0 0 445.567 5.759 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1ccc2c(c1)OCO2 ZINC000001465885 519155041 /nfs/dbraw/zinc/15/50/41/519155041.db2.gz ZICVWYWXFKFFLX-UHFFFAOYSA-N 0 0 434.542 5.332 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc2ccccc2c1)CCC3 ZINC000012624979 519159029 /nfs/dbraw/zinc/15/90/29/519159029.db2.gz HDPQJCHTBIJSDT-UHFFFAOYSA-N 0 0 447.585 5.017 50 30 IKEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1Cl ZINC000012390521 519167437 /nfs/dbraw/zinc/16/74/37/519167437.db2.gz BADWNKMRBXKOES-UHFFFAOYSA-N 0 0 442.968 5.338 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C ZINC000013041469 519170851 /nfs/dbraw/zinc/17/08/51/519170851.db2.gz JPDKOOWOYYVOHF-UHFFFAOYSA-N 0 0 443.981 6.184 50 30 IKEARN C=CCn1c(CN(C)Cc2ccc(-c3ccccc3C)cc2)nnc1SC[C@H]1CCCO1 ZINC000055182730 519179292 /nfs/dbraw/zinc/17/92/92/519179292.db2.gz QWBYJVSUEFAZFR-HSZRJFAPSA-N 0 0 448.636 5.343 50 30 IKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000003337553 519185318 /nfs/dbraw/zinc/18/53/18/519185318.db2.gz UOEYTWNESUDJNZ-UHFFFAOYSA-N 0 0 434.392 6.205 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000019811629 519185875 /nfs/dbraw/zinc/18/58/75/519185875.db2.gz YOMBTMHANFPWMB-UHFFFAOYSA-N 0 0 440.783 6.296 50 30 IKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2cccs2)n1 ZINC000023995423 519187122 /nfs/dbraw/zinc/18/71/22/519187122.db2.gz IZPVFJHQTYTEKX-UHFFFAOYSA-N 0 0 440.619 5.829 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000012788164 519189906 /nfs/dbraw/zinc/18/99/06/519189906.db2.gz ISWMPWWSGMYECP-CQSZACIVSA-N 0 0 431.920 5.199 50 30 IKEARN C=CCn1c(CSCc2cccc3ccccc32)nnc1SCC(=O)c1ccccc1 ZINC000012379151 519189999 /nfs/dbraw/zinc/18/99/99/519189999.db2.gz DMUHLHUTPXWDJA-UHFFFAOYSA-N 0 0 445.613 6.026 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000012787630 519190454 /nfs/dbraw/zinc/19/04/54/519190454.db2.gz FWFBRGGABFSMJI-QGZVFWFLSA-N 0 0 425.529 5.163 50 30 IKEARN C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003282132 519200476 /nfs/dbraw/zinc/20/04/76/519200476.db2.gz KYINAHHIDJUVCW-UHFFFAOYSA-N 0 0 446.620 5.500 50 30 IKEARN C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000010240468 519209520 /nfs/dbraw/zinc/20/95/20/519209520.db2.gz ZOPJZPDPQFOOER-IBGZPJMESA-N 0 0 447.029 5.452 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013803867 519211114 /nfs/dbraw/zinc/21/11/14/519211114.db2.gz RYOYFJXPNUWVMM-UHFFFAOYSA-N 0 0 434.609 5.776 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1C ZINC000002441266 519223550 /nfs/dbraw/zinc/22/35/50/519223550.db2.gz YKTSTTCJILJDOA-UHFFFAOYSA-N 0 0 440.572 5.837 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1C ZINC000002241812 519224588 /nfs/dbraw/zinc/22/45/88/519224588.db2.gz BCPFYWAXVMHJBG-UHFFFAOYSA-N 0 0 432.471 5.189 50 30 IKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1 ZINC000013112471 519225195 /nfs/dbraw/zinc/22/51/95/519225195.db2.gz VBTJYJJOQWBUDA-UHFFFAOYSA-N 0 0 447.589 5.294 50 30 IKEARN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2o1 ZINC000001105594 519227874 /nfs/dbraw/zinc/22/78/74/519227874.db2.gz GHFNJTGZALIEGV-UHFFFAOYSA-N 0 0 447.545 5.218 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccc(F)cc1 ZINC000009464374 519231481 /nfs/dbraw/zinc/23/14/81/519231481.db2.gz BVFYSNMVLUHIGE-UHFFFAOYSA-N 0 0 438.347 5.069 50 30 IKEARN C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl ZINC000009439585 519233803 /nfs/dbraw/zinc/23/38/03/519233803.db2.gz RSFOGCGWIYSHHH-UHFFFAOYSA-N 0 0 434.348 5.422 50 30 IKEARN C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002272636 519235107 /nfs/dbraw/zinc/23/51/07/519235107.db2.gz MKOOJJOTJFTPDL-KRWDZBQOSA-N 0 0 432.699 6.858 50 30 IKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000035847684 519238338 /nfs/dbraw/zinc/23/83/38/519238338.db2.gz PTKRHLAWAPDAST-UHFFFAOYSA-N 0 0 446.370 5.203 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1 ZINC000013110218 519240095 /nfs/dbraw/zinc/24/00/95/519240095.db2.gz DLXLREYHFKOVOH-GOSISDBHSA-N 0 0 434.348 5.576 50 30 IKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000035847672 519241947 /nfs/dbraw/zinc/24/19/47/519241947.db2.gz HHUCYHMCLHSASA-UHFFFAOYSA-N 0 0 435.471 5.459 50 30 IKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1sc2nc(C)cc(C)c2c1N ZINC000008636988 519244727 /nfs/dbraw/zinc/24/47/27/519244727.db2.gz RJRDYSWDEWFMOM-UHFFFAOYSA-N 0 0 442.013 5.886 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1C1CCCCC1 ZINC000013117119 519244868 /nfs/dbraw/zinc/24/48/68/519244868.db2.gz UXYBVXPMPSTFDA-UHFFFAOYSA-N 0 0 431.030 6.581 50 30 IKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1csc(C)c1-c1ccccc1 ZINC000013325738 519244949 /nfs/dbraw/zinc/24/49/49/519244949.db2.gz GFGGFRCUCJKULR-UHFFFAOYSA-N 0 0 438.021 7.114 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@@H]1COc2ccccc2O1 ZINC000003288833 519245179 /nfs/dbraw/zinc/24/51/79/519245179.db2.gz SVEMUGQVYOCDBN-FQEVSTJZSA-N 0 0 448.573 5.392 50 30 IKEARN C=CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000012695942 519248992 /nfs/dbraw/zinc/24/89/92/519248992.db2.gz FRGAXTUDEVCHKE-OAQYLSRUSA-N 0 0 436.556 5.116 50 30 IKEARN C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000013114664 519255518 /nfs/dbraw/zinc/25/55/18/519255518.db2.gz AQSTVXBZIBSFNU-JOCHJYFZSA-N 0 0 442.544 5.062 50 30 IKEARN C=CCn1c(Sc2ncnc3scc(-c4ccc(Cl)cc4)c32)nnc1C1CC1 ZINC000040020228 519258997 /nfs/dbraw/zinc/25/89/97/519258997.db2.gz WGPLKIOOPXRQNK-UHFFFAOYSA-N 0 0 425.970 5.818 50 30 IKEARN C=CCn1c(Sc2nc(CN3CCCCC3)nc3sc(C)c(C)c32)nnc1C1CC1 ZINC000013003528 519259822 /nfs/dbraw/zinc/25/98/22/519259822.db2.gz VJOZMBWLUBVMIL-UHFFFAOYSA-N 0 0 440.642 5.100 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)c12 ZINC000012524415 519266298 /nfs/dbraw/zinc/26/62/98/519266298.db2.gz KWVMQIZNTAUQOB-MDZDMXLPSA-N 0 0 440.330 5.995 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)c12 ZINC000012676005 519266455 /nfs/dbraw/zinc/26/64/55/519266455.db2.gz LYWRSNSSTWKIIR-WYMLVPIESA-N 0 0 425.463 6.079 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(C)n(-c4cc(C)on4)c3C)c12 ZINC000096925865 519268296 /nfs/dbraw/zinc/26/82/96/519268296.db2.gz SGRBVKQBDGAQEO-QXMHVHEDSA-N 0 0 439.519 5.383 50 30 IKEARN C=CCn1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 ZINC000008450494 519275259 /nfs/dbraw/zinc/27/52/59/519275259.db2.gz FKXSELWWZVAVTQ-JUMVDPBBSA-N 0 0 445.544 5.238 50 30 IKEARN CC(=O)/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 ZINC000008855047 519356148 /nfs/dbraw/zinc/35/61/48/519356148.db2.gz ZFNOJLIECHJFFF-OCKHKDLRSA-N 0 0 444.343 5.103 50 30 IKEARN CC(=O)N(c1ccc(Cl)c(Cl)c1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000022289059 519471707 /nfs/dbraw/zinc/47/17/07/519471707.db2.gz OGRGSKKIWFNJRI-UHFFFAOYSA-N 0 0 443.330 5.123 50 30 IKEARN CC(=O)N(c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F ZINC000022756636 519474106 /nfs/dbraw/zinc/47/41/06/519474106.db2.gz AMTZHCDQPTVLJV-MDWZMJQESA-N 0 0 444.434 5.294 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000008994637 519476117 /nfs/dbraw/zinc/47/61/17/519476117.db2.gz GBYGBVGDGOQLFP-OAQYLSRUSA-N 0 0 439.537 5.455 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000008838098 519640427 /nfs/dbraw/zinc/64/04/27/519640427.db2.gz YPOKFCMALMBUBT-QFIPXVFZSA-N 0 0 429.347 6.156 50 30 IKEARN CC(C)N(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S ZINC000062580702 519641620 /nfs/dbraw/zinc/64/16/20/519641620.db2.gz AVPZGJAMKXABCB-UHFFFAOYSA-N 0 0 425.989 5.364 50 30 IKEARN CC(=O)Nc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001135006 519734428 /nfs/dbraw/zinc/73/44/28/519734428.db2.gz KWZFNXJXMQGOAQ-LYZGTLIUSA-N 0 0 437.543 5.933 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000253617487 519757874 /nfs/dbraw/zinc/75/78/74/519757874.db2.gz PMBSWZWCNKVWLV-KAIPXGEMSA-N 0 0 442.684 7.139 50 30 IKEARN CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000013568680 519781814 /nfs/dbraw/zinc/78/18/14/519781814.db2.gz YSNMAQAFVVBILW-DWXRJYCRSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000013568542 519784919 /nfs/dbraw/zinc/78/49/19/519784919.db2.gz XNPQQCZYFCCLKP-QLXKLKPCSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000000864501 519840158 /nfs/dbraw/zinc/84/01/58/519840158.db2.gz OEWFOONBCNVTMJ-QHCPKHFHSA-N 0 0 430.479 5.123 50 30 IKEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc32)C[C@H](c2ccccc2)CC1=O ZINC000100140137 519861759 /nfs/dbraw/zinc/86/17/59/519861759.db2.gz WVLDWJLUIFFIDW-FQEVSTJZSA-N 0 0 444.575 5.387 50 30 IKEARN CCCC(=O)Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000001440054 519881464 /nfs/dbraw/zinc/88/14/64/519881464.db2.gz UEOQDOBFGOJTCW-MUUNZHRXSA-N 0 0 441.527 6.227 50 30 IKEARN CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000006821443 519902625 /nfs/dbraw/zinc/90/26/25/519902625.db2.gz UYPHKGGUTMMQFG-JZCUADNKSA-N 0 0 434.005 5.129 50 30 IKEARN CC(C)n1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 ZINC000009246898 519930707 /nfs/dbraw/zinc/93/07/07/519930707.db2.gz FMGPWQSDNWLWLE-LQKURTRISA-N 0 0 447.648 6.976 50 30 IKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000097950697 519964341 /nfs/dbraw/zinc/96/43/41/519964341.db2.gz AWTHZKFPTUSFIU-OAHLLOKOSA-N 0 0 442.815 5.285 50 30 IKEARN CCCCCCCC/C=C/CCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000076945525 519969119 /nfs/dbraw/zinc/96/91/19/519969119.db2.gz NKQFKJYKCVDLPT-ZHACJKMWSA-N 0 0 440.624 8.044 50 30 in-vitro IKEARN CCCCCCCCC(=O)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000102996425 519972623 /nfs/dbraw/zinc/97/26/23/519972623.db2.gz AOKCCHKYYVNMGU-UHFFFAOYSA-N 0 0 426.605 5.284 50 30 IKEARN CCCCCCCCC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 ZINC000100727513 519973768 /nfs/dbraw/zinc/97/37/68/519973768.db2.gz NYIMPZNBVYBROG-INIZCTEOSA-N 0 0 428.809 5.023 50 30 IKEARN CCCCCCCCCC(=O)N(CCCC)CC(=O)N(Cc1cccn1C)CC(C)C ZINC000103065578 519975463 /nfs/dbraw/zinc/97/54/63/519975463.db2.gz LJVCBTPHPKSEMO-UHFFFAOYSA-N 0 0 433.681 5.779 50 30 IKEARN CCCCCCCCC1c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000059211906 519975676 /nfs/dbraw/zinc/97/56/76/519975676.db2.gz VHJHNUMVXRVNLL-UHFFFAOYSA-N 0 0 436.231 8.075 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000098021542 519978185 /nfs/dbraw/zinc/97/81/85/519978185.db2.gz FHPSOKBBPOOFQB-SANMLTNESA-N 0 0 438.637 6.853 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)c1 ZINC000102536539 519984105 /nfs/dbraw/zinc/98/41/05/519984105.db2.gz HWIHXMLIRVYVIF-ZWSUVBHBSA-N 0 0 438.612 6.248 50 30 IKEARN CCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCC ZINC000056898842 519984183 /nfs/dbraw/zinc/98/41/83/519984183.db2.gz WITKSCOBOCOGSC-RUZDIDTESA-N 0 0 440.709 8.303 50 30 in-man IKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 ZINC000102065638 519984344 /nfs/dbraw/zinc/98/43/44/519984344.db2.gz DXKWSFJVEUXPNY-IBGZPJMESA-N 0 0 435.674 7.299 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000049878068 519992724 /nfs/dbraw/zinc/99/27/24/519992724.db2.gz AIIVCXFBTONHDU-UHFFFAOYSA-N 0 0 426.689 8.088 50 30 endogenous,in-man IKEARN CCCCCCCCCCCCCCCCN(C)c1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000100969668 519998480 /nfs/dbraw/zinc/99/84/80/519998480.db2.gz FGUUTZCTVLZJHB-UHFFFAOYSA-N 0 0 434.621 7.299 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)COc1ccccc1[C@@H](C)CC ZINC000008400599 519998805 /nfs/dbraw/zinc/99/88/05/519998805.db2.gz GCTKGYMPZGYYAO-VWLOTQADSA-N 0 0 431.705 8.176 50 30 IKEARN CCCCCCCCCCCCCCCCN(C)C(=S)c1ccc(Cl)c(Cl)c1 ZINC000100969868 519999305 /nfs/dbraw/zinc/99/93/05/519999305.db2.gz CEVSTDBFBGOHNP-UHFFFAOYSA-N 0 0 444.556 9.082 50 30 IKEARN CCCCCCCCCCCCCCCCN1c2ccccc2/C(=N/NC(N)=S)C1=O ZINC000102311147 519999584 /nfs/dbraw/zinc/99/95/84/519999584.db2.gz DGBSJNFGNBAQMY-VYIQYICTSA-N 0 0 444.689 6.052 50 30 IKEARN CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)[O-] ZINC000101012118 520007205 /nfs/dbraw/zinc/00/72/05/520007205.db2.gz SHERVRVXWWTRDL-UHFFFAOYSA-O 0 0 426.750 8.359 50 30 IKEARN CCCCCCCCCCCCN1C(=O)C(=CNc2ccccc2OC)SC1=S ZINC000097961955 520007759 /nfs/dbraw/zinc/00/77/59/520007759.db2.gz UKYYSFDAGWAHGW-DYTRJAOYSA-N 0 0 434.671 6.730 50 30 IKEARN CCCCCCCCCCCCOc1ccc(C#Cc2ccc(C#CC(C)(C)O)cc2)cc1 ZINC000098045060 520012006 /nfs/dbraw/zinc/01/20/06/520012006.db2.gz ZFDZGFLPBFUJBZ-UHFFFAOYSA-N 0 0 444.659 7.509 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000100863963 520016998 /nfs/dbraw/zinc/01/69/98/520016998.db2.gz NJXMPBSODVQNTN-RUZDIDTESA-N 0 0 432.696 8.917 50 30 IKEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCC ZINC000008426342 520023293 /nfs/dbraw/zinc/02/32/93/520023293.db2.gz OHNYCFJBZDDIEV-UHFFFAOYSA-N 0 0 436.666 5.627 50 30 IKEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000097949494 520024395 /nfs/dbraw/zinc/02/43/95/520024395.db2.gz NRJSJCWBKSBAPT-UHFFFAOYSA-N 0 0 442.629 5.013 50 30 IKEARN CCCCCCCCCCn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008426364 520026967 /nfs/dbraw/zinc/02/69/67/520026967.db2.gz JXQPPCVBOZTTGA-UHFFFAOYSA-N 0 0 436.666 5.627 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097954710 520027133 /nfs/dbraw/zinc/02/71/33/520027133.db2.gz LNLFGIVGWOPUEE-QFIPXVFZSA-N 0 0 447.623 6.706 50 30 IKEARN CCCCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002365325 520033974 /nfs/dbraw/zinc/03/39/74/520033974.db2.gz XQRSNPVPCHBJQS-UHFFFAOYSA-N 0 0 443.595 5.500 50 30 IKEARN CCCCCCCCS(=O)(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000103013431 520046229 /nfs/dbraw/zinc/04/62/29/520046229.db2.gz KFDSSMHTXZURHV-QHCPKHFHSA-N 0 0 440.609 6.322 50 30 IKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cnc2ccccc21 ZINC000049757339 520047549 /nfs/dbraw/zinc/04/75/49/520047549.db2.gz LFTUVAZFWXEWIQ-UHFFFAOYSA-N 0 0 435.575 6.910 50 30 IKEARN CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(CCCCCC)C2=O)C1=O ZINC000100833466 520050849 /nfs/dbraw/zinc/05/08/49/520050849.db2.gz MDPWMEYXVSTYLH-MRCUWXFGSA-N 0 0 444.666 6.155 50 30 IKEARN CCCCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC ZINC000070687609 520061412 /nfs/dbraw/zinc/06/14/12/520061412.db2.gz GMLLHNJKYTUSNS-JPGMGBJISA-N 0 0 448.607 5.682 50 30 biogenic IKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O ZINC000002062809 520061953 /nfs/dbraw/zinc/06/19/53/520061953.db2.gz VFZFEZDJLCJXCM-UHFFFAOYSA-N 0 0 434.319 5.921 50 30 IKEARN CCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000053319238 520066715 /nfs/dbraw/zinc/06/67/15/520066715.db2.gz UJMVWGSKWBWVNX-UHFFFAOYSA-N 0 0 427.683 7.379 50 30 IKEARN CCCCCCCc1ccc([C@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2C3=O)cc1 ZINC000100916144 520070811 /nfs/dbraw/zinc/07/08/11/520070811.db2.gz RBRURJYFMIKWBI-DEOSSOPVSA-N 0 0 430.573 5.793 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000002428173 520073121 /nfs/dbraw/zinc/07/31/21/520073121.db2.gz BSJTXDVLXCKAOO-UHFFFAOYSA-N 0 0 425.536 5.562 50 30 IKEARN CCCCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21 ZINC000012680704 520096286 /nfs/dbraw/zinc/09/62/86/520096286.db2.gz IDPXIUUXHCXSNZ-UHFFFAOYSA-N 0 0 430.983 6.904 50 30 IKEARN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000071784702 520108296 /nfs/dbraw/zinc/10/82/96/520108296.db2.gz WVXXEBLHRGPWQV-JTLFAELUSA-N 0 0 446.635 6.498 50 30 IKEARN CC/N=C1\S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N1CC ZINC000009261569 520206254 /nfs/dbraw/zinc/20/62/54/520206254.db2.gz BXLOKLOYZVQNIJ-PIINERKHSA-N 0 0 439.584 6.155 50 30 IKEARN CCCCCOc1ccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 ZINC000009280225 520249506 /nfs/dbraw/zinc/24/95/06/520249506.db2.gz DXQNTEPCEQCWIV-ZTKZIYFRSA-N 0 0 443.978 7.512 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1cccs1 ZINC000001430886 520255470 /nfs/dbraw/zinc/25/54/70/520255470.db2.gz IRGBDBQSGKBNNT-OAHLLOKOSA-N 0 0 436.602 5.724 50 30 IKEARN CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000020477863 520260737 /nfs/dbraw/zinc/26/07/37/520260737.db2.gz FAEKLPPFAZGWRW-UHFFFAOYSA-N 0 0 435.608 6.229 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1cccs1 ZINC000015826257 520262127 /nfs/dbraw/zinc/26/21/27/520262127.db2.gz WMYGIGQHVGXWGL-HSZRJFAPSA-N 0 0 447.560 5.867 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1cccs1 ZINC000015826249 520262183 /nfs/dbraw/zinc/26/21/83/520262183.db2.gz DQVKWHBFOOKMBA-XMMPIXPASA-N 0 0 443.572 6.597 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1cccs1 ZINC000021356127 520262320 /nfs/dbraw/zinc/26/23/20/520262320.db2.gz TXLDGBORDSRBLL-XMMPIXPASA-N 0 0 446.547 6.344 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccccc1 ZINC000021722109 520262686 /nfs/dbraw/zinc/26/26/86/520262686.db2.gz CTZAQFNJTNQTIO-CLOONOSVSA-N 0 0 445.563 5.192 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccco1 ZINC000018122597 520262911 /nfs/dbraw/zinc/26/29/11/520262911.db2.gz MQPHVQVIGXMZRJ-SANMLTNESA-N 0 0 426.516 5.665 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(OCC(N)=O)cc1 ZINC000000780270 520270045 /nfs/dbraw/zinc/27/00/45/520270045.db2.gz FYYZKUXDIJYTDQ-AREMUKBSSA-N 0 0 426.516 5.013 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2ccccc2F)o1 ZINC000002186404 520272119 /nfs/dbraw/zinc/27/21/19/520272119.db2.gz VRIDZDMTQPFRSL-NDEPHWFRSA-N 0 0 437.514 7.548 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850888 520273361 /nfs/dbraw/zinc/27/33/61/520273361.db2.gz MUZOMRLUYQAWSG-IBGZPJMESA-N 0 0 431.005 5.872 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850336 520274205 /nfs/dbraw/zinc/27/42/05/520274205.db2.gz KRNFPVXBBMHWIP-LJQANCHMSA-N 0 0 441.557 5.127 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850894 520274487 /nfs/dbraw/zinc/27/44/87/520274487.db2.gz XJDHSOJMMPNYJU-NRFANRHFSA-N 0 0 440.613 5.617 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1ccccc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850342 520274580 /nfs/dbraw/zinc/27/45/80/520274580.db2.gz GOYXPUDPZNLWIK-HXUWFJFHSA-N 0 0 426.586 5.227 50 30 IKEARN CC1(C)CCC[C@](C)(C#CCN2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)O1 ZINC000020648829 520361652 /nfs/dbraw/zinc/36/16/52/520361652.db2.gz NSPYZZFXRIZTQP-MUUNZHRXSA-N 0 0 443.591 5.229 50 30 IKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000009678762 520424457 /nfs/dbraw/zinc/42/44/57/520424457.db2.gz VUZDVWRSUQXVCN-MNNSJKJDSA-N 0 0 438.571 6.763 50 30 IKEARN CCCCN(CC)C(=O)c1ccc(NN=C2C(=O)Nc3c2cc(Cl)cc3Cl)cc1 ZINC000022654351 520472604 /nfs/dbraw/zinc/47/26/04/520472604.db2.gz SRFALZCSGMRXQT-UHFFFAOYSA-N 0 0 433.339 5.024 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020647816 520495810 /nfs/dbraw/zinc/49/58/10/520495810.db2.gz BVRMDAIBQYJEHH-XKZIYDEJSA-N 0 0 448.390 6.717 50 30 IKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000019314979 520507944 /nfs/dbraw/zinc/50/79/44/520507944.db2.gz WJFHFMWEDHXODR-XMMPIXPASA-N 0 0 431.532 5.187 50 30 IKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(Oc3ccccc3)c2)C1=O ZINC000006378675 520539610 /nfs/dbraw/zinc/53/96/10/520539610.db2.gz PJRDDFLGOUFKBY-XLNRJJMWSA-N 0 0 443.524 6.023 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(F)cc1 ZINC000015946589 520553548 /nfs/dbraw/zinc/55/35/48/520553548.db2.gz MREGOTUAWRGDTP-YJOHERITSA-N 0 0 443.569 5.609 50 30 IKEARN CCOc1c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC ZINC000009763000 520588276 /nfs/dbraw/zinc/58/82/76/520588276.db2.gz NDDNXPBVFUQIJI-KFLOGIKRSA-N 0 0 444.556 5.898 50 30 IKEARN CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000013568630 520610278 /nfs/dbraw/zinc/61/02/78/520610278.db2.gz NHFCPFSRZFVRAF-RXVVDRJESA-N 0 0 447.575 5.396 50 30 IKEARN CCOc1c(I)cc(/C=C2\Sc3ccccc3C2=O)cc1OC ZINC000012411290 520610561 /nfs/dbraw/zinc/61/05/61/520610561.db2.gz AWDPUWODVWOFJG-YBEGLDIGSA-N 0 0 438.286 5.028 50 30 IKEARN CCOc1cc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc(Br)c1OCC ZINC000015911782 520628818 /nfs/dbraw/zinc/62/88/18/520628818.db2.gz ZYFTZWKJBNCUEJ-GZTJUZNOSA-N 0 0 429.354 6.076 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(Br)c1O ZINC000016688231 520631109 /nfs/dbraw/zinc/63/11/09/520631109.db2.gz LUGCRIGVRZXROD-YVLHZVERSA-N 0 0 447.354 5.062 50 30 IKEARN CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc21 ZINC000008813851 520641584 /nfs/dbraw/zinc/64/15/84/520641584.db2.gz TVOZKOAQQKKJQD-OGLMXYFKSA-N 0 0 436.515 6.140 50 30 IKEARN CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000002958533 520644112 /nfs/dbraw/zinc/64/41/12/520644112.db2.gz RPPYXCKNRBBYJV-UVHMKAGCSA-N 0 0 442.947 5.102 50 30 IKEARN CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000014735624 520653990 /nfs/dbraw/zinc/65/39/90/520653990.db2.gz GNMZSOCBCXXLHD-HNNXBMFYSA-N 0 0 430.460 5.271 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000709668 520779271 /nfs/dbraw/zinc/77/92/71/520779271.db2.gz PNBMOJTYKBKKSI-PPHZAIPVSA-N 0 0 426.516 5.770 50 30 IKEARN CCOC(=O)CS/C(=N\c1ccccc1)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000008616538 520807622 /nfs/dbraw/zinc/80/76/22/520807622.db2.gz MIAIIPZMKWBJPF-FLFQWRMESA-N 0 0 449.359 6.331 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008415391 520809423 /nfs/dbraw/zinc/80/94/23/520809423.db2.gz IIROCNQGLPEUAO-DEOSSOPVSA-N 0 0 447.554 5.134 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547766 520811602 /nfs/dbraw/zinc/81/16/02/520811602.db2.gz AKJOCDSTXIQCNT-DEOSSOPVSA-N 0 0 447.554 5.134 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000022216185 520812428 /nfs/dbraw/zinc/81/24/28/520812428.db2.gz WZDGZFPTHVGXIH-OAQYLSRUSA-N 0 0 433.508 5.042 50 30 IKEARN CCOc1ccc(-c2csc(N(/N=C(\C)c3ccc(Cl)cc3)c3ccccc3)n2)cc1 ZINC000025560159 520813270 /nfs/dbraw/zinc/81/32/70/520813270.db2.gz DIYZPLSQUULRPE-MTDXEUNCSA-N 0 0 447.991 7.425 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000000688500 520813839 /nfs/dbraw/zinc/81/38/39/520813839.db2.gz IWRPYSNXHVNNGX-OAQYLSRUSA-N 0 0 449.963 5.556 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019638550 520819175 /nfs/dbraw/zinc/81/91/75/520819175.db2.gz MDKPGMFAWUMHKT-IBVKSMDESA-N 0 0 443.543 5.240 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001183823 520819884 /nfs/dbraw/zinc/81/98/84/520819884.db2.gz DWULHNLCQUHIJD-IVZQSRNASA-N 0 0 427.591 5.370 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000717669 520819949 /nfs/dbraw/zinc/81/99/49/520819949.db2.gz NVSMXBWCDAZHLR-WAIKUNEKSA-N 0 0 439.552 5.448 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001183825 520820479 /nfs/dbraw/zinc/82/04/79/520820479.db2.gz DWULHNLCQUHIJD-OYHNWAKOSA-N 0 0 427.591 5.370 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000666747 520821764 /nfs/dbraw/zinc/82/17/64/520821764.db2.gz PPJAPMPUIWUORI-NLFFAJNJSA-N 0 0 449.978 5.901 50 30 IKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2c(Cl)cccc2Cl)C1C(=O)c1ccccc1 ZINC000012416592 520828620 /nfs/dbraw/zinc/82/86/20/520828620.db2.gz CFSPBNVFVLNTSC-JOCHJYFZSA-N 0 0 434.326 6.515 50 30 IKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2)C1C(=O)c1ccccc1 ZINC000001069482 520828826 /nfs/dbraw/zinc/82/88/26/520828826.db2.gz TYTYIQVENKAGRT-QFIPXVFZSA-N 0 0 444.332 5.971 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000022064625 520850136 /nfs/dbraw/zinc/85/01/36/520850136.db2.gz ZPQSHBUBRJJJCC-HXNPFYCNSA-N 0 0 428.557 5.758 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1 ZINC000001011938 520858902 /nfs/dbraw/zinc/85/89/02/520858902.db2.gz XBISUPUJBROKNQ-AGSDWXNQSA-N 0 0 446.956 5.380 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/C=C/c2ccccc2OC)c2nc3ccccc3o2)cc1 ZINC000008992156 520871659 /nfs/dbraw/zinc/87/16/59/520871659.db2.gz UKKTUGDMLZWILI-UBROXMMTSA-N 0 0 425.484 6.215 50 30 IKEARN CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(OC)c1 ZINC000097466890 520879278 /nfs/dbraw/zinc/87/92/78/520879278.db2.gz UJUOMSBOBXQIEM-HLTANSAUSA-N 0 0 439.581 5.174 50 30 IKEARN CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000059503511 520880157 /nfs/dbraw/zinc/88/01/57/520880157.db2.gz OGHFRPVDZHCOGX-SIDNSYPESA-N 0 0 427.573 6.341 50 30 IKEARN CCN(CC)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000033636913 520883136 /nfs/dbraw/zinc/88/31/36/520883136.db2.gz DIHFALBCGHHOLC-TWKHWXDSSA-N 0 0 438.619 6.979 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000051366930 520896920 /nfs/dbraw/zinc/89/69/20/520896920.db2.gz NRXWTULIFTWMEG-UIAIJNLVSA-N 0 0 431.561 5.483 50 30 IKEARN CCN(CC)c1ccc([C@@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794672 520923627 /nfs/dbraw/zinc/92/36/27/520923627.db2.gz LTDKSJCNNZLYJX-DEOSSOPVSA-N 0 0 434.580 5.751 50 30 IKEARN CCN(CC)c1ccc2cc(-c3csc(N/N=C/c4ccc(OC)cc4)n3)c(=O)oc2c1 ZINC000008453641 520925221 /nfs/dbraw/zinc/92/52/21/520925221.db2.gz GTJBEUKKECHZAI-AFUMVMLFSA-N 0 0 448.548 5.217 50 30 IKEARN CCN(CC)c1nc(N=NCc2ccc(Cl)cc2)nc(Nc2ccc(C)c(Cl)c2)n1 ZINC000032123415 520929103 /nfs/dbraw/zinc/92/91/03/520929103.db2.gz HNWQRQGSWPMXSD-CFRMEGHHSA-N 0 0 444.370 5.523 50 30 IKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(Cl)c3Cl)cc2)CC1 ZINC000015978821 521029326 /nfs/dbraw/zinc/02/93/26/521029326.db2.gz ROBKVCMWURPRLC-JXMROGBWSA-N 0 0 438.376 5.310 50 30 IKEARN CCOc1ccc(N/N=C(/Sc2nnc(-c3ccccc3)o2)C(=O)c2ccccc2)cc1 ZINC000025573118 521031303 /nfs/dbraw/zinc/03/13/03/521031303.db2.gz AXRHLLGDYACKPE-SLEBQGDGSA-N 0 0 444.516 5.536 50 30 IKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000012368702 521091567 /nfs/dbraw/zinc/09/15/67/521091567.db2.gz VOBNOMJLKJIYCY-VWNXMTODSA-N 0 0 438.445 6.178 50 30 IKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000013568494 521241522 /nfs/dbraw/zinc/24/15/22/521241522.db2.gz APWHKHLFUGVKQB-LEWJYISDSA-N 0 0 433.548 5.222 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000021660458 521247963 /nfs/dbraw/zinc/24/79/63/521247963.db2.gz IZMNHMUWDJVXOA-MHECFPHRSA-N 0 0 430.504 5.349 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002343693 521256187 /nfs/dbraw/zinc/25/61/87/521256187.db2.gz WCTKBMBMMXFNNY-GPEOYYQRSA-N 0 0 435.980 6.127 50 30 IKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000016426546 521268907 /nfs/dbraw/zinc/26/89/07/521268907.db2.gz BINPVEMYXWENRX-DNOBIOAJSA-N 0 0 444.962 6.718 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000009805304 521272676 /nfs/dbraw/zinc/27/26/76/521272676.db2.gz SDHHXLUJMMYDQT-IIMAJNMQSA-N 0 0 446.550 6.701 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CCC3)cc1OC ZINC000012564543 521275648 /nfs/dbraw/zinc/27/56/48/521275648.db2.gz NVVFSBTXPUHOMW-DEOSSOPVSA-N 0 0 447.510 5.292 50 30 IKEARN CCCCc1ccc(NC(=S)C2=C(NCCc3ccccc3)CC(C)(C)CC2=O)cc1 ZINC000002368885 521283861 /nfs/dbraw/zinc/28/38/61/521283861.db2.gz KDJNWARNECYWNB-UHFFFAOYSA-N 0 0 434.649 6.244 50 30 IKEARN CCCc1c(C(=O)ONC(=N)c2ccc(C(C)(C)C)cc2)cnn1-c1ccc(Cl)cc1 ZINC000012340316 521335784 /nfs/dbraw/zinc/33/57/84/521335784.db2.gz QUMWNTIPAAGWBB-UHFFFAOYSA-N 0 0 438.959 5.253 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC)c(OC)c3)sc2C1 ZINC000035132135 521360535 /nfs/dbraw/zinc/36/05/35/521360535.db2.gz AEUQPGDABIMYAX-SAYIFAPPSA-N 0 0 438.593 5.830 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000006462294 521364068 /nfs/dbraw/zinc/36/40/68/521364068.db2.gz GIMBHBUJZDYZDL-JAYSCUBMSA-N 0 0 437.569 5.977 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cc(OC)ccc4OC)c3c2C1 ZINC000025580602 521367202 /nfs/dbraw/zinc/36/72/02/521367202.db2.gz BIQAKCCSGMCNET-BYEGDDEQSA-N 0 0 438.597 5.696 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000012464748 521367266 /nfs/dbraw/zinc/36/72/66/521367266.db2.gz GIMBHBUJZDYZDL-HEOQCTJZSA-N 0 0 437.569 5.977 50 30 IKEARN CCOC(=O)c1c(C)oc2c1C(=CN=c1[nH]c3ccccc3s1)C(=O)c1ccccc1-2 ZINC000100859160 521402558 /nfs/dbraw/zinc/40/25/58/521402558.db2.gz YJMACYTZBJJSIO-VBKFSLOCSA-N 0 0 430.485 5.691 50 30 IKEARN CCOC(=O)c1ccc(-c2ccc(CN=Nc3oc(-c4ccccc4)nc3C#N)o2)cc1 ZINC000026841292 521459357 /nfs/dbraw/zinc/45/93/57/521459357.db2.gz FJMTUIRXAHZYMW-CVKSISIWSA-N 0 0 426.432 5.096 50 30 IKEARN CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1ccc(OC)cc1 ZINC000223245027 521510977 /nfs/dbraw/zinc/51/09/77/521510977.db2.gz SWMOBNPBOILOTF-WRKLRJIISA-N 0 0 449.488 5.487 50 30 IKEARN CCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nnc(-c2ccco2)o1 ZINC000082050027 521521645 /nfs/dbraw/zinc/52/16/45/521521645.db2.gz ZNVLEPHURURJAP-UHFFFAOYSA-N 0 0 444.491 5.061 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1cc(Cl)ccc1C ZINC000008385196 521533334 /nfs/dbraw/zinc/53/33/34/521533334.db2.gz UVGSRIKXBAAQKN-LWVPEANGSA-N 0 0 429.973 5.245 50 30 IKEARN CCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4C#N)cc3)c21 ZINC000021989286 521548227 /nfs/dbraw/zinc/54/82/27/521548227.db2.gz GYTTUVXCCHRIBA-UHFFFAOYSA-N 0 0 425.488 5.199 50 30 IKEARN CCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3C)nn21 ZINC000009856591 521580860 /nfs/dbraw/zinc/58/08/60/521580860.db2.gz IWUCKSFKRGXOJQ-HSZRJFAPSA-N 0 0 446.576 5.300 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000012520215 521636317 /nfs/dbraw/zinc/63/63/17/521636317.db2.gz CVLCXEYQWASSSI-BFUOFWGJSA-N 0 0 426.508 5.000 50 30 IKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Br)c1)O2 ZINC000013682591 521647625 /nfs/dbraw/zinc/64/76/25/521647625.db2.gz FGHKMABUYXVRHB-MOSHPQCFSA-N 0 0 430.342 5.393 50 30 IKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020650893 521647895 /nfs/dbraw/zinc/64/78/95/521647895.db2.gz UGOZTJDWKQPOEB-ITYLOYPMSA-N 0 0 427.544 6.297 50 30 IKEARN CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681686 521649539 /nfs/dbraw/zinc/64/95/39/521649539.db2.gz JNAIMEWMJYVGEW-UHFFFAOYSA-N 0 0 448.116 6.406 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(C)cc2)c(C)n1 ZINC000032972884 521649683 /nfs/dbraw/zinc/64/96/83/521649683.db2.gz ZOJIBJHRIWHWTC-UHFFFAOYSA-N 0 0 445.611 5.606 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2C)c(C)n1 ZINC000032972869 521650091 /nfs/dbraw/zinc/65/00/91/521650091.db2.gz CXRYTGPLGRBZKW-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c(C)n1 ZINC000032972922 521650510 /nfs/dbraw/zinc/65/05/10/521650510.db2.gz NPNBVIWJOOMDQB-UHFFFAOYSA-N 0 0 435.547 5.262 50 30 IKEARN CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000000673085 521782058 /nfs/dbraw/zinc/78/20/58/521782058.db2.gz PNXJNSIYRDXNJQ-MRDQGFSESA-N 0 0 432.564 6.027 50 30 IKEARN CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccccc2Cl)o1 ZINC000020617963 521792181 /nfs/dbraw/zinc/79/21/81/521792181.db2.gz KUKHFODSMFPWGD-WSDLNYQXSA-N 0 0 428.901 5.358 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000036611349 521794234 /nfs/dbraw/zinc/79/42/34/521794234.db2.gz TUELZRCBPNVTDF-GZIVZEMBSA-N 0 0 447.294 5.689 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 ZINC000036611480 521795102 /nfs/dbraw/zinc/79/51/02/521795102.db2.gz WNUCEJPISUPWJX-LSFURLLWSA-N 0 0 426.876 5.344 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000032943371 521850471 /nfs/dbraw/zinc/85/04/71/521850471.db2.gz CMFKBUFUXWRHAY-UHFFFAOYSA-N 0 0 444.966 5.824 50 30 IKEARN CCc1ccccc1NC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000021722680 521873442 /nfs/dbraw/zinc/87/34/42/521873442.db2.gz ZSVXZNDQMRWIIZ-MHZLTWQESA-N 0 0 441.531 5.461 50 30 IKEARN COc1c2c(cc3c1[C@@H](CC(=O)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 ZINC000095344622 521886872 /nfs/dbraw/zinc/88/68/72/521886872.db2.gz SSFGQCRZUFDDEM-QJLCOAGJSA-N 0 0 425.569 5.241 50 30 biogenic IKEARN COc1c2c(cc3c1[C@H](CC(=O)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 ZINC000061992795 521888910 /nfs/dbraw/zinc/88/89/10/521888910.db2.gz SSFGQCRZUFDDEM-NPJZFRQBSA-N 0 0 425.569 5.241 50 30 biogenic IKEARN CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021356087 521893642 /nfs/dbraw/zinc/89/36/42/521893642.db2.gz UGITXKOPXMTIIX-RUZDIDTESA-N 0 0 443.572 6.523 50 30 IKEARN COc1cc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000012756029 521922461 /nfs/dbraw/zinc/92/24/61/521922461.db2.gz PSXOOMWRYCCWLC-UYRXBGFRSA-N 0 0 429.472 5.586 50 30 IKEARN COC(=O)c1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 ZINC000012462887 521933911 /nfs/dbraw/zinc/93/39/11/521933911.db2.gz CMLPCGAZLNCEMU-RUEDEKBQSA-N 0 0 442.540 5.899 50 30 IKEARN COc1cc(/C=C2\CC/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC ZINC000033437938 521962863 /nfs/dbraw/zinc/96/28/63/521962863.db2.gz SIGQVFHJILUFKR-BSHIDLADSA-N 0 0 449.330 5.858 50 30 IKEARN COc1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc(OC)c1OC ZINC000012898500 521968805 /nfs/dbraw/zinc/96/88/05/521968805.db2.gz ZTGBLCKWTGTTRV-SXJABBKVSA-N 0 0 444.483 5.421 50 30 biogenic IKEARN COc1cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)ccc1OCc1ccccc1 ZINC000095108952 522001747 /nfs/dbraw/zinc/00/17/47/522001747.db2.gz CKQVCJRJNJCLRG-JVWAILMASA-N 0 0 443.572 6.516 50 30 IKEARN COc1cc(Br)cc(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)c1O ZINC000001425036 522025648 /nfs/dbraw/zinc/02/56/48/522025648.db2.gz VXZRHBLPJIPNFT-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN COc1cc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000043685288 522049106 /nfs/dbraw/zinc/04/91/06/522049106.db2.gz BNCCOTVXLZZPAN-LDADJPATSA-N 0 0 449.890 5.931 50 30 IKEARN COc1cc(C(=O)/C(=C\c2cccc(Cl)c2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000043685281 522050197 /nfs/dbraw/zinc/05/01/97/522050197.db2.gz CEDGMPQHEBUTKF-LDADJPATSA-N 0 0 449.890 5.931 50 30 IKEARN COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001434754 522174629 /nfs/dbraw/zinc/17/46/29/522174629.db2.gz XEOFLJWHOWJEGJ-KDYSTLNUSA-N 0 0 438.527 5.761 50 30 IKEARN COc1cc(F)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000085413361 522584645 /nfs/dbraw/zinc/58/46/45/522584645.db2.gz MQSYXWTUEHCXBE-SANMLTNESA-N 0 0 431.507 6.306 50 30 IKEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000030770039 522869488 /nfs/dbraw/zinc/86/94/88/522869488.db2.gz IJBHQMFLZRYIRY-HAHDFKILSA-N 0 0 430.479 5.110 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019635429 522881061 /nfs/dbraw/zinc/88/10/61/522881061.db2.gz GJXNZLWSOVVDNT-NYHFZMIOSA-N 0 0 442.342 5.528 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl ZINC000020322694 522881191 /nfs/dbraw/zinc/88/11/91/522881191.db2.gz LJCYWJFELCCEMQ-NYHFZMIOSA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000717194 522882292 /nfs/dbraw/zinc/88/22/92/522882292.db2.gz FOXLSVCGCITMAQ-VBKZILBWSA-N 0 0 447.478 5.302 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000001132869 522885866 /nfs/dbraw/zinc/88/58/66/522885866.db2.gz QHBICNYMJNTCBC-ZUOKHONESA-N 0 0 432.303 5.121 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O ZINC000013568560 522932598 /nfs/dbraw/zinc/93/25/98/522932598.db2.gz SWQKAUBNQMTHIB-QUGAMOGWSA-N 0 0 430.479 5.519 50 30 IKEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000028052265 522936124 /nfs/dbraw/zinc/93/61/24/522936124.db2.gz LLRSHVCWDRHYSA-OYHNWAKOSA-N 0 0 436.895 5.309 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)ccc1OC(C)C ZINC000013568613 522957492 /nfs/dbraw/zinc/95/74/92/522957492.db2.gz LEZOUGGFQGMRHJ-MJGOQNOKSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000721889 522965804 /nfs/dbraw/zinc/96/58/04/522965804.db2.gz JHZIQNXEODGTCH-URAOTHONSA-N 0 0 447.534 6.621 50 30 IKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)OC1=C2C(=O)c2ccccc21 ZINC000002139338 523040534 /nfs/dbraw/zinc/04/05/34/523040534.db2.gz JXAHPKGSADSYCK-HSZRJFAPSA-N 0 0 449.300 5.651 50 30 biogenic IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NC(C)c3ccccc3O)n2)cc1OC ZINC000012379000 523087164 /nfs/dbraw/zinc/08/71/64/523087164.db2.gz BQHMMXJJTNXQJD-STBIYBPSSA-N 0 0 440.503 5.370 50 30 IKEARN COc1ccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 ZINC000025560163 523165290 /nfs/dbraw/zinc/16/52/90/523165290.db2.gz GHFCEEZOKDZOCK-AFUMVMLFSA-N 0 0 429.501 5.720 50 30 IKEARN CCn1c2ccccc2c2cc(C=NN3C(=S)N=NC3c3ccc(Cl)cc3)ccc21 ZINC000002199147 523274150 /nfs/dbraw/zinc/27/41/50/523274150.db2.gz GQIBEJLQKPNSNF-AFUMVMLFSA-N 0 0 431.952 5.897 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)c2ccccc21 ZINC000008993023 523304464 /nfs/dbraw/zinc/30/44/64/523304464.db2.gz DEKYMZAPIJUBKE-AFUMVMLFSA-N 0 0 427.475 6.304 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c2cc(OC)ccc21 ZINC000020650742 523305736 /nfs/dbraw/zinc/30/57/36/523305736.db2.gz RFWKINAAPLKRNK-AFUMVMLFSA-N 0 0 446.547 5.368 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2ccccc21 ZINC000008991147 523305778 /nfs/dbraw/zinc/30/57/78/523305778.db2.gz FPSKOHSZTNPLJA-LPYMAVHISA-N 0 0 433.504 5.306 50 30 IKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccccc3F)cc2-c2ccc(F)cc2)cc1 ZINC000035843469 523311467 /nfs/dbraw/zinc/31/14/67/523311467.db2.gz WDDZGOCDIUHQSF-YKQZZPSBSA-N 0 0 446.497 6.680 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000012951734 523357416 /nfs/dbraw/zinc/35/74/16/523357416.db2.gz UKGQURNMPWDUHZ-KTBVQQIISA-N 0 0 435.907 5.802 50 30 IKEARN COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000009046299 523383486 /nfs/dbraw/zinc/38/34/86/523383486.db2.gz KLRRZGLETBWHLL-YCRREMRBSA-N 0 0 447.531 5.981 50 30 IKEARN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)cc1OC ZINC000013602891 523399536 /nfs/dbraw/zinc/39/95/36/523399536.db2.gz BZALJEZENKRHHS-JLHYYAGUSA-N 0 0 425.484 5.417 50 30 IKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000036612260 523418530 /nfs/dbraw/zinc/41/85/30/523418530.db2.gz FJIRFWDJPBXNKB-WSLNNMBCSA-N 0 0 430.544 5.739 50 30 IKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000012445977 523419246 /nfs/dbraw/zinc/41/92/46/523419246.db2.gz KKRCBYMADURPBY-XSFVSMFZSA-N 0 0 429.472 5.703 50 30 biogenic,in-vitro IKEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)cc1OC ZINC000020647105 523420860 /nfs/dbraw/zinc/42/08/60/523420860.db2.gz AHWQLNSSMLRXOM-MSXFZWOLSA-N 0 0 439.552 5.140 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1 ZINC000012374180 523422298 /nfs/dbraw/zinc/42/22/98/523422298.db2.gz UFJCBLHJHZPKRF-IWIPYMOSSA-N 0 0 428.484 5.828 50 30 biogenic IKEARN COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c(OC)c1 ZINC000002443241 523426595 /nfs/dbraw/zinc/42/65/95/523426595.db2.gz GRGJAQWAZGWUTR-APSNUPSMSA-N 0 0 442.846 5.268 50 30 IKEARN COc1ccc(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000033636457 523430239 /nfs/dbraw/zinc/43/02/39/523430239.db2.gz QNPMMGIKKSPCBU-ALCCZGGFSA-N 0 0 449.551 5.264 50 30 IKEARN COc1ccc(/C=C\C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)cc1OC ZINC000015659923 523432952 /nfs/dbraw/zinc/43/29/52/523432952.db2.gz BZALJEZENKRHHS-RAXLEYEMSA-N 0 0 425.484 5.417 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000016677506 523445458 /nfs/dbraw/zinc/44/54/58/523445458.db2.gz TVBWTPMFVMGQKQ-ZVHZXABRSA-N 0 0 433.309 5.514 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 ZINC000004471328 523466690 /nfs/dbraw/zinc/46/66/90/523466690.db2.gz ZFCGBTGMOXWFMB-HZHRSRAPSA-N 0 0 446.528 5.174 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000097466931 523466778 /nfs/dbraw/zinc/46/67/78/523466778.db2.gz JIPUVBHDVDMKSR-YVQDBNNVSA-N 0 0 446.956 5.323 50 30 IKEARN COc1ccc(/N=C2\[C@@H](N3CCCCC3)C(C)(C)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000021152148 523471841 /nfs/dbraw/zinc/47/18/41/523471841.db2.gz SRPAIVWLEBJDKG-PCOHFRABSA-N 0 0 425.960 5.306 50 30 IKEARN COc1ccc(C(=O)C=CNc2ccc(NC=CC(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000013590810 523540138 /nfs/dbraw/zinc/54/01/38/523540138.db2.gz LHEGFAUWEYPCOX-YTEMWHBBSA-N 0 0 428.488 5.321 50 30 IKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000012564680 523541676 /nfs/dbraw/zinc/54/16/76/523541676.db2.gz ZOTOCPNECSZKGW-NTCAYCPXSA-N 0 0 425.444 5.352 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)cc1 ZINC000006073803 523541910 /nfs/dbraw/zinc/54/19/10/523541910.db2.gz QQBBNQFAOTXOQM-LNKIKWGQSA-N 0 0 431.488 5.137 50 30 IKEARN COc1ccc(C(=O)/C=C/c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1 ZINC000011868143 523542858 /nfs/dbraw/zinc/54/28/58/523542858.db2.gz QHTXWEUOXDPMRP-HMMYKYKNSA-N 0 0 449.506 6.928 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c1C ZINC000032973373 523635514 /nfs/dbraw/zinc/63/55/14/523635514.db2.gz RLRNVLYTRLKFLH-UHFFFAOYSA-N 0 0 445.611 5.194 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000012466100 523668788 /nfs/dbraw/zinc/66/87/88/523668788.db2.gz JNAAZPVXVYVNER-TZFGQJNGSA-N 0 0 431.319 5.224 50 30 IKEARN CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000013286298 523673913 /nfs/dbraw/zinc/67/39/13/523673913.db2.gz RQIDYPMJQCDFIZ-KBEOOMRJSA-N 0 0 448.375 5.064 50 30 IKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@@H]2c2ccco2)cc1 ZINC000009332484 523678680 /nfs/dbraw/zinc/67/86/80/523678680.db2.gz PMKHIXTVTHTQKW-LMKMVOKYSA-N 0 0 428.488 5.355 50 30 IKEARN CN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1 ZINC000020470050 523738344 /nfs/dbraw/zinc/73/83/44/523738344.db2.gz CSEWJOXSVCTUKZ-OTYYAQKOSA-N 0 0 447.170 5.193 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1OC ZINC000011869969 523774309 /nfs/dbraw/zinc/77/43/09/523774309.db2.gz IOKJFPSQDPZDEG-DDIODMMUSA-N 0 0 428.440 5.095 50 30 biogenic IKEARN CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 ZINC000009311179 523874771 /nfs/dbraw/zinc/87/47/71/523874771.db2.gz JMTDRUQQMPIFQC-HAHDFKILSA-N 0 0 448.975 6.373 50 30 IKEARN CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 ZINC000013145557 523874808 /nfs/dbraw/zinc/87/48/08/523874808.db2.gz VXRKAEJOVJUQQA-CPNJWEJPSA-N 0 0 440.977 6.538 50 30 IKEARN CCc1ccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000012413232 523875790 /nfs/dbraw/zinc/87/57/90/523875790.db2.gz NVVNULYIJWROEX-HYOGKJQXSA-N 0 0 437.587 5.629 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002082321 523876215 /nfs/dbraw/zinc/87/62/15/523876215.db2.gz OGDLPSCUKHXIFJ-ZEHKLFRWSA-N 0 0 442.584 6.629 50 30 IKEARN CCc1ccc(C(=O)C2=CN(c3cccc(OC)c3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950859 523876547 /nfs/dbraw/zinc/87/65/47/523876547.db2.gz NMMGCXYQGWJFMP-UHFFFAOYSA-N 0 0 437.492 5.046 50 30 IKEARN CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984410 523964346 /nfs/dbraw/zinc/96/43/46/523964346.db2.gz IRYPEJRBELQTPJ-UHFFFAOYSA-N 0 0 435.520 5.655 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000001082039 524007154 /nfs/dbraw/zinc/00/71/54/524007154.db2.gz RUCSBLGADDDLHI-WOILTVAASA-N 0 0 445.559 5.399 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 ZINC000035982123 524008000 /nfs/dbraw/zinc/00/80/00/524008000.db2.gz QHSIPLRFUZZWRP-ZCPGDWHISA-N 0 0 431.532 5.096 50 30 IKEARN CCc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 ZINC000001430889 524034409 /nfs/dbraw/zinc/03/44/09/524034409.db2.gz JIHNHILMTGHDLC-IBGZPJMESA-N 0 0 430.573 5.589 50 30 IKEARN CCc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000064873994 524034937 /nfs/dbraw/zinc/03/49/37/524034937.db2.gz UWEGGUDNYVHHRN-XMMPIXPASA-N 0 0 440.547 5.356 50 30 IKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2OC)cc1 ZINC000012652228 524043527 /nfs/dbraw/zinc/04/35/27/524043527.db2.gz OVALUAZQWTVGQS-MUUNZHRXSA-N 0 0 440.543 5.884 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000013571214 524060219 /nfs/dbraw/zinc/06/02/19/524060219.db2.gz WDYAIVDJJLWZEM-FQEVSTJZSA-N 0 0 446.553 5.703 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 ZINC000013569450 524060388 /nfs/dbraw/zinc/06/03/88/524060388.db2.gz WRRZDJSSYKHCQI-QFIPXVFZSA-N 0 0 440.524 5.642 50 30 IKEARN CNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000021722392 524077219 /nfs/dbraw/zinc/07/72/19/524077219.db2.gz UPRZMAGQQCKCLP-SSOJOUAXSA-N 0 0 443.503 5.002 50 30 IKEARN Cc1ccc2oc(-c3ccc(/N=C/c4cccc(I)c4)cc3)nc2c1 ZINC000103752991 524085940 /nfs/dbraw/zinc/08/59/40/524085940.db2.gz BGPZVNFGAVWQIN-YDZHTSKRSA-N 0 0 438.268 6.158 50 30 IKEARN Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccccc3)C4)c(=O)c2c1 ZINC000000883187 524099000 /nfs/dbraw/zinc/09/90/00/524099000.db2.gz WJFKHABEGSLKLN-VKGTZQKMSA-N 0 0 448.522 6.081 50 30 biogenic IKEARN Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccccc3)C4)c(=O)c2c1 ZINC000000883183 524099444 /nfs/dbraw/zinc/09/94/44/524099444.db2.gz WJFKHABEGSLKLN-GDJIYFAZSA-N 0 0 448.522 6.081 50 30 biogenic IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)cc1 ZINC000019762184 524110360 /nfs/dbraw/zinc/11/03/60/524110360.db2.gz VSCKTDPFELJHJH-DEOSSOPVSA-N 0 0 431.532 5.043 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1O ZINC000000815895 524131656 /nfs/dbraw/zinc/13/16/56/524131656.db2.gz XYKAAHIVTFOQNE-DWXRJYCRSA-N 0 0 426.516 5.689 50 30 IKEARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 ZINC000021721966 524137507 /nfs/dbraw/zinc/13/75/07/524137507.db2.gz HMWDLWIUMFVQOQ-HHHXNRCGSA-N 0 0 441.531 5.515 50 30 IKEARN Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1 ZINC000021355966 524146816 /nfs/dbraw/zinc/14/68/16/524146816.db2.gz VCSCNWKOKQMZNU-VWLOTQADSA-N 0 0 443.572 6.577 50 30 IKEARN Cc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000013896304 524152556 /nfs/dbraw/zinc/15/25/56/524152556.db2.gz NBDMVMSMZLRAIY-WAMJVRJTSA-N 0 0 437.568 6.323 50 30 IKEARN COc1cccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)c1 ZINC000001430136 524173271 /nfs/dbraw/zinc/17/32/71/524173271.db2.gz JWFLFNWBIYTQJB-LJQANCHMSA-N 0 0 446.572 5.425 50 30 IKEARN COc1cccc([C@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000893671 524186409 /nfs/dbraw/zinc/18/64/09/524186409.db2.gz IQINLGKEWVTTPJ-WXTAPIANSA-N 0 0 430.935 6.328 50 30 IKEARN Cc1cc(C)c(CO/N=C/c2ccc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c(C)c1 ZINC000012339819 524273291 /nfs/dbraw/zinc/27/32/91/524273291.db2.gz CWWJAANHPQQJPN-KBKYJPHKSA-N 0 0 432.398 6.350 50 30 IKEARN Cc1cc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3C)C2=O)c(C)c1 ZINC000003041521 524304587 /nfs/dbraw/zinc/30/45/87/524304587.db2.gz ORJHYAIYUPDYDA-COOPMVRXSA-N 0 0 442.588 5.158 50 30 IKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)c(C)c1 ZINC000012953868 524326620 /nfs/dbraw/zinc/32/66/20/524326620.db2.gz PWOSTUOCBMDMHG-OVCLIPMQSA-N 0 0 448.584 6.399 50 30 IKEARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3sccc3C#N)n2n1 ZINC000012568786 524340103 /nfs/dbraw/zinc/34/01/03/524340103.db2.gz ANXRSYHSULQDCC-HNNXBMFYSA-N 0 0 433.562 5.066 50 30 IKEARN COc1ccccc1C(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000012366813 524348183 /nfs/dbraw/zinc/34/81/83/524348183.db2.gz QXUSVRSUZNUQEH-UHFFFAOYSA-N 0 0 444.734 5.151 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c1 ZINC000027520685 524361112 /nfs/dbraw/zinc/36/11/12/524361112.db2.gz IUIVQQLUBNBMEZ-YBFXNURJSA-N 0 0 443.355 6.762 50 30 IKEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000002135119 524362959 /nfs/dbraw/zinc/36/29/59/524362959.db2.gz FCNXREDFYNNIRS-FTWDSPQQSA-N 0 0 440.451 5.238 50 30 biogenic IKEARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000012543867 524369287 /nfs/dbraw/zinc/36/92/87/524369287.db2.gz YHODVLCQHZGXSH-UHFFFAOYSA-N 0 0 437.590 5.274 50 30 IKEARN Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 ZINC000021722286 524426762 /nfs/dbraw/zinc/42/67/62/524426762.db2.gz RIGWGBHEFHVKHV-RUZDIDTESA-N 0 0 427.504 6.109 50 30 IKEARN Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000021722284 524428085 /nfs/dbraw/zinc/42/80/85/524428085.db2.gz RIGWGBHEFHVKHV-VWLOTQADSA-N 0 0 427.504 6.109 50 30 IKEARN C[C@@H](CCC#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 ZINC000240321613 524438225 /nfs/dbraw/zinc/43/82/25/524438225.db2.gz FARUJJLVHFTRHP-HNNXBMFYSA-N 0 0 437.619 5.954 50 30 IKEARN Cc1ccc(CN2c3ccc(Br)cc3C(=NNc3cccc(C)c3)C2=O)cc1 ZINC000020615751 524485051 /nfs/dbraw/zinc/48/50/51/524485051.db2.gz AQCNKVYIWOELLR-ROMGYVFFSA-N 0 0 434.337 5.429 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)cc1 ZINC000020558810 524486324 /nfs/dbraw/zinc/48/63/24/524486324.db2.gz YFIMCRXSVKJXEP-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(F)cc3)S2)c1 ZINC000027522332 524654773 /nfs/dbraw/zinc/65/47/73/524654773.db2.gz OARDIVULBYUSCY-AOKXBXCXSA-N 0 0 447.535 5.295 50 30 IKEARN Cc1cccc(NC(=O)[C@]2(C#N)[C@@H](c3ccccc3)[C@]2(C)C(=O)c2ccc(Cl)cc2)c1 ZINC000245255477 524657553 /nfs/dbraw/zinc/65/75/53/524657553.db2.gz IPHQYXBFPOIGLR-DFCKQENNSA-N 0 0 428.919 5.784 50 30 IKEARN Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000012125086 524687490 /nfs/dbraw/zinc/68/74/90/524687490.db2.gz DRQXGNCDEPIHFF-DAMKXSJNSA-N 0 0 437.952 5.318 50 30 IKEARN Cc1ccc(Cl)cc1NC=C1C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O ZINC000020558894 524728430 /nfs/dbraw/zinc/72/84/30/524728430.db2.gz DVKRFLKWEPFIRQ-HYARGMPZSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1ccc(Cl)cc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O ZINC000020575625 524729729 /nfs/dbraw/zinc/72/97/29/524729729.db2.gz KPCGRNADXADCIT-UNOMPAQXSA-N 0 0 444.965 5.196 50 30 IKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2 ZINC000013568662 524749934 /nfs/dbraw/zinc/74/99/34/524749934.db2.gz FRACDMYJQALVPS-CBZJRKILSA-N 0 0 440.499 5.403 50 30 IKEARN COc1ccc(OC)c(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1 ZINC000008915578 524797212 /nfs/dbraw/zinc/79/72/12/524797212.db2.gz JPSDLUAOCROINT-CJLVFECKSA-N 0 0 443.499 6.056 50 30 IKEARN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c1 ZINC000020647280 524799197 /nfs/dbraw/zinc/79/91/97/524799197.db2.gz QPAHXOBLCNUXLM-MSXFZWOLSA-N 0 0 439.552 5.140 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000033393163 524801492 /nfs/dbraw/zinc/80/14/92/524801492.db2.gz GXMBUPUSJQJUTO-JTUXUYRKSA-N 0 0 430.529 5.508 50 30 IKEARN Cc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)c1 ZINC000064775593 524841166 /nfs/dbraw/zinc/84/11/66/524841166.db2.gz ZWXQAHWHZDTBJO-XMMPIXPASA-N 0 0 440.547 5.410 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1 ZINC000013568518 524893985 /nfs/dbraw/zinc/89/39/85/524893985.db2.gz SYCGTWZEFYLLFC-UWJYYQICSA-N 0 0 433.548 5.006 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000032943053 524913125 /nfs/dbraw/zinc/91/31/25/524913125.db2.gz VTYZZSIVAWWSPQ-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000020575727 524913539 /nfs/dbraw/zinc/91/35/39/524913539.db2.gz HWQOTCFQQPERGT-UNOMPAQXSA-N 0 0 444.965 5.196 50 30 IKEARN Cc1ccc(N2C(=O)C(C)(C)[C@H]([NH+]3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1 ZINC000021152124 524917567 /nfs/dbraw/zinc/91/75/67/524917567.db2.gz VXANDOXHZPFXFR-XOIRIKARSA-N 0 0 433.640 5.590 50 30 IKEARN COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000709527 524918156 /nfs/dbraw/zinc/91/81/56/524918156.db2.gz GCVGKBWXCHEOJV-XRHLQHRESA-N 0 0 426.516 5.683 50 30 IKEARN Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2)cc1 ZINC000013285661 524918813 /nfs/dbraw/zinc/91/88/13/524918813.db2.gz GLWOQTQRTNGRLD-QDJRPKQISA-N 0 0 429.570 6.174 50 30 IKEARN COc1ccc(OCCOc2ccc(C)cc2/C=N/NC(=S)Nc2ccc(C)cc2)cc1 ZINC000009554214 524963563 /nfs/dbraw/zinc/96/35/63/524963563.db2.gz FAOSIBGJULEPAV-YZSQISJMSA-N 0 0 449.576 5.090 50 30 IKEARN COc1ccc(OCc2ccccn2)c(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)c1 ZINC000058103812 524974172 /nfs/dbraw/zinc/97/41/72/524974172.db2.gz ZELSVHVZRCIGDC-VQHVLOKHSA-N 0 0 439.895 5.236 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)nc1 ZINC000009861142 525020751 /nfs/dbraw/zinc/02/07/51/525020751.db2.gz AUCKOSJKLBGHCU-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN Cc1ccccc1-n1c2nc(SCC#N)n(-c3ccccc3C)c(=O)c2sc1=S ZINC000003026626 525027361 /nfs/dbraw/zinc/02/73/61/525027361.db2.gz VLNPKQSKGYFSFV-UHFFFAOYSA-N 0 0 436.587 5.200 50 30 IKEARN Cc1ccccc1/C=C1\Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O ZINC000002409594 525038825 /nfs/dbraw/zinc/03/88/25/525038825.db2.gz UOAIKUXVCOWSMO-IMRQLAEWSA-N 0 0 447.490 6.948 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C ZINC000002082946 525042224 /nfs/dbraw/zinc/04/22/24/525042224.db2.gz FSNQOLKXMCXULO-MKRFAJQFSA-N 0 0 428.513 5.841 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000002134714 525063702 /nfs/dbraw/zinc/06/37/02/525063702.db2.gz JONRCRQRQIPHPJ-IZVPMIMASA-N 0 0 444.870 5.883 50 30 biogenic IKEARN Cc1ccc(NC(=O)CSc2nc(CCc3ccccc3)c3c(c2C#N)CCCC3)cc1 ZINC000012645115 525078304 /nfs/dbraw/zinc/07/83/04/525078304.db2.gz PXUJLFMLYCMDTJ-UHFFFAOYSA-N 0 0 441.600 5.657 50 30 IKEARN C[C@@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@@H](C)O1 ZINC000033027109 525079082 /nfs/dbraw/zinc/07/90/82/525079082.db2.gz BLWHKQOPCPKCEV-IAGOWNOFSA-N 0 0 429.476 5.152 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1C ZINC000021722338 525149669 /nfs/dbraw/zinc/14/96/69/525149669.db2.gz CPCSBTWPGGDKEM-VWLOTQADSA-N 0 0 443.572 6.577 50 30 IKEARN COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000004546933 525173513 /nfs/dbraw/zinc/17/35/13/525173513.db2.gz RZWAHTGGSSNXIY-CLJLJLNGSA-N 0 0 439.942 7.166 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850064 525185725 /nfs/dbraw/zinc/18/57/25/525185725.db2.gz DNIAJIIBCUUTBY-FQEVSTJZSA-N 0 0 436.606 5.598 50 30 IKEARN Cc1ccccc1NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1 ZINC000002075469 525219138 /nfs/dbraw/zinc/21/91/38/525219138.db2.gz NGFRSYJEESVIHS-OOAXWGSJSA-N 0 0 426.303 6.241 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(F)cc2)cc1 ZINC000019855366 525230215 /nfs/dbraw/zinc/23/02/15/525230215.db2.gz JZVUAWGNWBCWQD-DFBJGRDBSA-N 0 0 449.522 5.148 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000001457562 525230502 /nfs/dbraw/zinc/23/05/02/525230502.db2.gz SZKORZTXWSYTIG-UZTOHYMASA-N 0 0 428.507 6.122 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC ZINC000013568522 525231428 /nfs/dbraw/zinc/23/14/28/525231428.db2.gz SZVJJKBBXRRTCE-MRDQGFSESA-N 0 0 430.504 5.585 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2cccc(Cl)c2)cc1C ZINC000064874263 525254718 /nfs/dbraw/zinc/25/47/18/525254718.db2.gz GJBWFJYMGUYKTH-QHCPKHFHSA-N 0 0 446.938 5.428 50 30 IKEARN Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000015946467 525262056 /nfs/dbraw/zinc/26/20/56/525262056.db2.gz ZJIQKEVCHBYUGA-MQRLXVCBSA-N 0 0 448.607 7.350 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccccc1Cl ZINC000064874256 525265143 /nfs/dbraw/zinc/26/51/43/525265143.db2.gz OUOHNIRUWMXYLR-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN COc1ccc([C@@H]2N(c3cccc(Br)c3)OC(=O)N2c2ccccc2)cc1 ZINC000009593524 525266625 /nfs/dbraw/zinc/26/66/25/525266625.db2.gz BBNMSOYZZDBMLU-FQEVSTJZSA-N 0 0 425.282 5.535 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c(OC)c1 ZINC000016426528 525267805 /nfs/dbraw/zinc/26/78/05/525267805.db2.gz WXNCEAQGONUWPI-SOKVYYICSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O ZINC000013568554 525268008 /nfs/dbraw/zinc/26/80/08/525268008.db2.gz BNQZVNDPPTXWIL-QLXKLKPCSA-N 0 0 446.934 6.034 50 30 IKEARN CSC(=NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2C)O1)SC ZINC000012366814 525286461 /nfs/dbraw/zinc/28/64/61/525286461.db2.gz FXXMKJKINRSTGV-UHFFFAOYSA-N 0 0 429.411 5.031 50 30 IKEARN CSC(=NS(=O)(=O)c1ccccc1)NCc1c(Cl)cccc1Oc1ccccc1 ZINC000013464730 525286482 /nfs/dbraw/zinc/28/64/82/525286482.db2.gz GSPKOMWCZAITIL-UHFFFAOYSA-N 0 0 446.981 5.330 50 30 IKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(C)cc1 ZINC000020805766 525342967 /nfs/dbraw/zinc/34/29/67/525342967.db2.gz OHRZQEKNZNPWIJ-GNVQSUKOSA-N 0 0 447.692 7.856 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 ZINC000245228662 525349336 /nfs/dbraw/zinc/34/93/36/525349336.db2.gz BKFIBDWKIPCPQA-WPFPZGBOSA-N 0 0 441.597 5.755 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O ZINC000252467472 525349551 /nfs/dbraw/zinc/34/95/51/525349551.db2.gz NDZYXAXWOZOQAQ-DYCRQLQNSA-N 0 0 434.624 5.884 50 30 IKEARN Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3c3cccs3)o2)cc(C)c1Cl ZINC000036611462 525374120 /nfs/dbraw/zinc/37/41/20/525374120.db2.gz PECPKIQQTAFLBF-LSHDLFTRSA-N 0 0 444.969 5.620 50 30 IKEARN Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3c3ccco3)o2)cc(C)c1Cl ZINC000020617910 525374596 /nfs/dbraw/zinc/37/45/96/525374596.db2.gz ZHMMYKPWTIFADX-LSHDLFTRSA-N 0 0 428.901 5.151 50 30 IKEARN Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3ccc(C(C)(C)C)cc3)nn21 ZINC000012639954 525377511 /nfs/dbraw/zinc/37/75/11/525377511.db2.gz AJHVPYBLECCNCZ-XMMPIXPASA-N 0 0 440.591 6.209 50 30 IKEARN COc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013761 525384492 /nfs/dbraw/zinc/38/44/92/525384492.db2.gz ZYXZJJXBBBQEEO-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1 ZINC000000812875 525397853 /nfs/dbraw/zinc/39/78/53/525397853.db2.gz NKZJACGFXGJYRH-DNOBIOAJSA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC ZINC000013568525 525398386 /nfs/dbraw/zinc/39/83/86/525398386.db2.gz SZVJJKBBXRRTCE-QUGAMOGWSA-N 0 0 430.504 5.585 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 ZINC000018324592 525398611 /nfs/dbraw/zinc/39/86/11/525398611.db2.gz KFMRSICDARYYBV-XHCCPWGMSA-N 0 0 426.516 5.683 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3/C=C/c3ccccc3)C2)cc1 ZINC000010035373 525399169 /nfs/dbraw/zinc/39/91/69/525399169.db2.gz LFSSYFWGTHSGLA-HLZXUPQVSA-N 0 0 447.538 6.126 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1OC ZINC000028052525 525400988 /nfs/dbraw/zinc/40/09/88/525400988.db2.gz TWCIAMNXLKVWJP-KOSHJBKYSA-N 0 0 430.504 5.267 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c(OC)c1 ZINC000016426531 525429887 /nfs/dbraw/zinc/42/98/87/525429887.db2.gz WXNCEAQGONUWPI-CBZJRKILSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849713 525440822 /nfs/dbraw/zinc/44/08/22/525440822.db2.gz JDILMGGGTVZLCL-HXUWFJFHSA-N 0 0 444.491 5.194 50 30 IKEARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000004794648 525442193 /nfs/dbraw/zinc/44/21/93/525442193.db2.gz RFAHJINACXWYNE-QFIPXVFZSA-N 0 0 427.928 5.566 50 30 IKEARN COc1ccc([N+](=O)[O-])c(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)c1 ZINC000016215694 525445921 /nfs/dbraw/zinc/44/59/21/525445921.db2.gz FYSJTHJVVSMFKQ-HCBMXOAHSA-N 0 0 427.285 5.005 50 30 IKEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc(Br)cc3)[C@H]1CC2 ZINC000012342760 525509258 /nfs/dbraw/zinc/50/92/58/525509258.db2.gz WORYLAZEPKLIAL-YIGWSHRMSA-N 0 0 439.353 5.274 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000098086347 525521382 /nfs/dbraw/zinc/52/13/82/525521382.db2.gz GBIHUMJNBWGXIQ-ZMOGYAJESA-N 0 0 436.855 5.057 50 30 IKEARN Cc1cc2c(c(C)c1)NC(=O)C2=NNc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1 ZINC000022656329 525589485 /nfs/dbraw/zinc/58/94/85/525589485.db2.gz FTQMWTQHIWEKTO-UHFFFAOYSA-N 0 0 448.611 5.606 50 30 IKEARN COc1ccc2c(c1)c(C(=O)C1=Cc3cc(OC)c(OC)cc3CC(C)(C)N1C)c(C)n2C ZINC000062001464 525600517 /nfs/dbraw/zinc/60/05/17/525600517.db2.gz KPWBDFHXNWVGMT-UHFFFAOYSA-N 0 0 448.563 5.003 50 30 biogenic IKEARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 ZINC000013653640 525625825 /nfs/dbraw/zinc/62/58/25/525625825.db2.gz QSRNKIXPKSZBPP-MTJSOVHGSA-N 0 0 426.877 5.032 50 30 IKEARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 ZINC000013654959 525626585 /nfs/dbraw/zinc/62/65/85/525626585.db2.gz BOVQZTNXAHKNPK-MTJSOVHGSA-N 0 0 444.867 5.171 50 30 IKEARN Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 ZINC000009638240 525644240 /nfs/dbraw/zinc/64/42/40/525644240.db2.gz IAUZUAMSUXQGME-RELWKKBWSA-N 0 0 425.556 5.107 50 30 IKEARN COc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O ZINC000033097103 525649791 /nfs/dbraw/zinc/64/97/91/525649791.db2.gz RTFKJFICWLAVQA-SJRNUSAWSA-N 0 0 442.584 6.785 50 30 IKEARN Cc1ccc(Sc2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2[N+](=O)[O-])cc1 ZINC000003028567 525671412 /nfs/dbraw/zinc/67/14/12/525671412.db2.gz SECAYEVPTUSXMI-WYMPLXKRSA-N 0 0 447.343 6.912 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C#N ZINC000106920939 525681847 /nfs/dbraw/zinc/68/18/47/525681847.db2.gz GAQZUPXOIGNYKK-JWQCQUIFSA-N 0 0 443.595 5.192 50 30 IKEARN Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000012250101 525714272 /nfs/dbraw/zinc/71/42/72/525714272.db2.gz GCSQZHSBUDOCQE-UHFFFAOYSA-N 0 0 444.943 6.817 50 30 IKEARN COc1cccc(-n2c(C)c(/C(C)=N\OCc3ccccc3OC)cc2-c2ccccc2)c1 ZINC000035843376 525744568 /nfs/dbraw/zinc/74/45/68/525744568.db2.gz JBYAAEMNKXFSEL-BRPDVVIDSA-N 0 0 440.543 6.411 50 30 IKEARN Cc1c(Cl)cccc1NC=C1C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O ZINC000020558890 525758922 /nfs/dbraw/zinc/75/89/22/525758922.db2.gz VJCKBXYFXHEXNL-HYARGMPZSA-N 0 0 438.936 5.135 50 30 IKEARN COc1cccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1OC ZINC000012555114 525762448 /nfs/dbraw/zinc/76/24/48/525762448.db2.gz PINYIYIVHZGXKA-SDNWHVSQSA-N 0 0 445.902 5.762 50 30 IKEARN COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1O ZINC000017097021 525766213 /nfs/dbraw/zinc/76/62/13/525766213.db2.gz KDRHSIVWJBNKAY-NEMYEJEXSA-N 0 0 430.529 5.248 50 30 IKEARN COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000253501624 525769506 /nfs/dbraw/zinc/76/95/06/525769506.db2.gz PFLCXOYUUHWAGR-JJYFZJQISA-N 0 0 439.640 5.984 50 30 biogenic IKEARN COc1cccc(/C=C2\S/C(=N/c3ccc4ccccc4c3)N(C3CCCCC3)C2=O)c1 ZINC000017445284 525771180 /nfs/dbraw/zinc/77/11/80/525771180.db2.gz PTZPIXCZGJHVMI-RIOWCJPESA-N 0 0 442.584 6.785 50 30 IKEARN COc1cccc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3Cl)o2)c1 ZINC000020602397 525780679 /nfs/dbraw/zinc/78/06/79/525780679.db2.gz AQCGNKYJOJMXEB-CMDGGOBGSA-N 0 0 447.712 6.179 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013594 525787198 /nfs/dbraw/zinc/78/71/98/525787198.db2.gz PTAKFIBNXVUHNL-HSZRJFAPSA-N 0 0 436.502 5.516 50 30 IKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)NC2CCCC2)cc1 ZINC000021722113 525790149 /nfs/dbraw/zinc/79/01/49/525790149.db2.gz RSGYACKTUAFCNT-AREMUKBSSA-N 0 0 443.591 6.264 50 30 IKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCC(C)C)cc1 ZINC000014605463 525792019 /nfs/dbraw/zinc/79/20/19/525792019.db2.gz HUKLXRAWXDWYDK-HHHXNRCGSA-N 0 0 445.607 5.384 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000016447596 525792062 /nfs/dbraw/zinc/79/20/62/525792062.db2.gz DGXSOXOBGCYYPX-UPVQGACJSA-N 0 0 437.539 5.578 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1 ZINC000020850487 525792925 /nfs/dbraw/zinc/79/29/25/525792925.db2.gz FCTGPFJVYUOKLL-JOCHJYFZSA-N 0 0 448.567 5.676 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nn32)cc1 ZINC000020850008 525793629 /nfs/dbraw/zinc/79/36/29/525793629.db2.gz UXZRGWIVQOCFRW-HSZRJFAPSA-N 0 0 444.604 5.845 50 30 IKEARN Cc1ccc([C@@H]2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1 ZINC000012954679 525860913 /nfs/dbraw/zinc/86/09/13/525860913.db2.gz XZEGGEUKVUWRCR-QFIPXVFZSA-N 0 0 430.960 6.190 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000253497861 525913799 /nfs/dbraw/zinc/91/37/99/525913799.db2.gz UELTYJDTQILMTO-TWOMTAPYSA-N 0 0 446.553 6.671 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000253499240 525914702 /nfs/dbraw/zinc/91/47/02/525914702.db2.gz UILXPFRZQGQVFT-QFLIGWEISA-N 0 0 442.546 6.174 50 30 biogenic IKEARN Cc1c2c(ccc1OCc1ccc(Cl)cc1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182616 525935158 /nfs/dbraw/zinc/93/51/58/525935158.db2.gz VRYCFNBHOQHNDY-CFRMEGHHSA-N 0 0 429.903 6.335 50 30 IKEARN Cc1ccc(-n2s/c(=N\C(=N\c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000002207948 525938424 /nfs/dbraw/zinc/93/84/24/525938424.db2.gz MMPMPNYEMKILJC-PXMCFFCXSA-N 0 0 446.579 6.588 50 30 IKEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)c(C)c1 ZINC000033517058 525968292 /nfs/dbraw/zinc/96/82/92/525968292.db2.gz YUUSNIORDCAQLF-UNOMPAQXSA-N 0 0 440.977 6.593 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)c(C)c1 ZINC000013145904 525971202 /nfs/dbraw/zinc/97/12/02/525971202.db2.gz YUUSNIORDCAQLF-XDHOZWIPSA-N 0 0 440.977 6.593 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1C ZINC000009720661 525971241 /nfs/dbraw/zinc/97/12/41/525971241.db2.gz NTALXADFGNBOSR-UNOMPAQXSA-N 0 0 440.977 6.593 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000009264619 525972925 /nfs/dbraw/zinc/97/29/25/525972925.db2.gz PFHVPONELDKSGE-HXNPFYCNSA-N 0 0 427.573 5.865 50 30 IKEARN Cc1c2occ(-c3ccccc3)c2cc2c(-c3ccccc3)c/c(=N\N=C3CCCCC3)oc12 ZINC000030822722 525996773 /nfs/dbraw/zinc/99/67/73/525996773.db2.gz UIAKBIWGRRGZSB-VEWQFJOQSA-N 0 0 446.550 8.042 50 30 IKEARN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sccc1C#N ZINC000012907282 526008293 /nfs/dbraw/zinc/00/82/93/526008293.db2.gz NXAJFVFVBFJKQZ-HNNXBMFYSA-N 0 0 443.557 5.258 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020606201 526018403 /nfs/dbraw/zinc/01/84/03/526018403.db2.gz QMGBBSXTZDGPAP-HXUWFJFHSA-N 0 0 430.331 5.823 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984412 526031440 /nfs/dbraw/zinc/03/14/40/526031440.db2.gz AITLCGFKXBMBHA-UHFFFAOYSA-N 0 0 435.520 5.709 50 30 IKEARN COc1cccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)c1 ZINC000035843458 526045989 /nfs/dbraw/zinc/04/59/89/526045989.db2.gz IICFHLNRQFRONS-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN COc1cccc(CO/N=C/c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000022873183 526047323 /nfs/dbraw/zinc/04/73/23/526047323.db2.gz GGAGLNSAYIEGCE-LUOAPIJWSA-N 0 0 436.817 6.105 50 30 IKEARN CSc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000001185118 526064371 /nfs/dbraw/zinc/06/43/71/526064371.db2.gz VOAABNTYLFSTQX-SANMLTNESA-N 0 0 440.568 6.225 50 30 IKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000016293774 526075303 /nfs/dbraw/zinc/07/53/03/526075303.db2.gz VUTUFMZWYNJASA-DEOSSOPVSA-N 0 0 446.616 5.960 50 30 IKEARN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000034387833 526089846 /nfs/dbraw/zinc/08/98/46/526089846.db2.gz AJVBCOIYFUEUHF-KEBDBYFISA-N 0 0 443.906 5.917 50 30 IKEARN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000009262154 526095001 /nfs/dbraw/zinc/09/50/01/526095001.db2.gz SXGNOUVBAFXKEW-CVKSISIWSA-N 0 0 428.363 5.988 50 30 IKEARN Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1C(=O)Nc1cc2ccccc2o1 ZINC000067341129 526098920 /nfs/dbraw/zinc/09/89/20/526098920.db2.gz YSBNHUCXLUSVAR-DHRITJCHSA-N 0 0 449.304 6.212 50 30 IKEARN CSc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 ZINC000021722935 526125068 /nfs/dbraw/zinc/12/50/68/526125068.db2.gz RAKVWSBFRPGOKR-XMMPIXPASA-N 0 0 445.544 6.214 50 30 IKEARN C[C@H](C1CC1)N(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000032936596 526196289 /nfs/dbraw/zinc/19/62/89/526196289.db2.gz GTJFFOHTJCDLHS-MRXNPFEDSA-N 0 0 442.485 5.020 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000020617987 526226799 /nfs/dbraw/zinc/22/67/99/526226799.db2.gz MJDZEELREFPXNM-LSHDLFTRSA-N 0 0 449.319 5.621 50 30 IKEARN CSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000036611457 526226838 /nfs/dbraw/zinc/22/68/38/526226838.db2.gz XJIFKJVVQKMKPO-IFRROFPPSA-N 0 0 431.732 5.323 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000036611477 526226866 /nfs/dbraw/zinc/22/68/66/526226866.db2.gz QFYFARFYALKYGT-LSHDLFTRSA-N 0 0 449.319 5.621 50 30 IKEARN Cc1ccc(C(=O)O/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000012954472 526236912 /nfs/dbraw/zinc/23/69/12/526236912.db2.gz OJNGGVRXAYTXBP-JFLMPSFJSA-N 0 0 446.959 6.680 50 30 IKEARN Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@@H](c5ccc(F)cc5)C4)cc3)sc2c1 ZINC000008756800 526241892 /nfs/dbraw/zinc/24/18/92/526241892.db2.gz NIASTRMTIFLBEB-IBGZPJMESA-N 0 0 428.532 6.853 50 30 IKEARN Cc1ccc2nc(C3=CN(CC(=O)c4ccccc4)c4ccc(C)cc4[C@@H]3C#N)ccc2c1 ZINC000018199869 526245776 /nfs/dbraw/zinc/24/57/76/526245776.db2.gz UMNXKPDLZPYJDY-DEOSSOPVSA-N 0 0 429.523 6.203 50 30 IKEARN Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2S[C@@H](C)C#N)c1 ZINC000009491212 526257082 /nfs/dbraw/zinc/25/70/82/526257082.db2.gz VRYWTOXDDNYXSK-AWEZNQCLSA-N 0 0 433.364 5.774 50 30 IKEARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012637425 526287940 /nfs/dbraw/zinc/28/79/40/526287940.db2.gz GVYNRAFBMAYTBR-WUKNDPDISA-N 0 0 446.554 5.303 50 30 IKEARN Fc1c(F)c(F)c(C=NNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1F ZINC000013548633 526292105 /nfs/dbraw/zinc/29/21/05/526292105.db2.gz SBGTZHOCELNPCL-XKJRVUDJSA-N 0 0 440.375 5.952 50 30 IKEARN Fc1c(F)c(F)c(N=NCc2ccc(OCc3ccccc3Cl)cc2)c(F)c1F ZINC000016449858 526293206 /nfs/dbraw/zinc/29/32/06/526293206.db2.gz GXVAAOMDWPMTKV-OXUBWTJQSA-N 0 0 426.772 6.061 50 30 IKEARN Oc1ccc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000006473793 526347133 /nfs/dbraw/zinc/34/71/33/526347133.db2.gz ZYKKCZMVMOKYRF-ZVHZXABRSA-N 0 0 431.887 5.164 50 30 IKEARN Cc1nnc(N=NCc2ccc(C(C)(C)C)cc2)nc1N=NCc1ccc(C(C)(C)C)cc1 ZINC000027988848 526352609 /nfs/dbraw/zinc/35/26/09/526352609.db2.gz OJNFOSKTWZLIJH-ODBZBXGJSA-N 0 0 443.599 5.667 50 30 IKEARN O=C(O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1cccs1 ZINC000012961290 526414693 /nfs/dbraw/zinc/41/46/93/526414693.db2.gz WLDDHYVMDQYIKT-ZMOGYAJESA-N 0 0 438.961 6.433 50 30 IKEARN N#CC1(C#N)[C@H](c2ccc(Br)cc2F)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008747783 526430379 /nfs/dbraw/zinc/43/03/79/526430379.db2.gz SPHGPQZGQGWSKW-QGDJINRTSA-N 0 0 427.317 5.121 50 30 IKEARN O=C(Oc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000002543763 526446702 /nfs/dbraw/zinc/44/67/02/526446702.db2.gz BYIUXRHCOXWJGU-ZMOGYAJESA-N 0 0 444.343 5.533 50 30 IKEARN N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1 ZINC000003294833 526451751 /nfs/dbraw/zinc/45/17/51/526451751.db2.gz XFMZCADOFRXLOQ-UHFFFAOYSA-N 0 0 442.519 5.475 50 30 IKEARN N#CCCn1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000012548813 526467822 /nfs/dbraw/zinc/46/78/22/526467822.db2.gz NGAASUCNKCBYIN-UHFFFAOYSA-N 0 0 438.443 5.258 50 30 IKEARN N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012540977 526479097 /nfs/dbraw/zinc/47/90/97/526479097.db2.gz DUYUORAYVVRXKK-UHFFFAOYSA-N 0 0 430.558 5.372 50 30 IKEARN N#CCc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cc1 ZINC000020617704 526484036 /nfs/dbraw/zinc/48/40/36/526484036.db2.gz VTTXHWMWCLRGCP-UHFFFAOYSA-N 0 0 426.423 5.424 50 30 IKEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000032931744 526498162 /nfs/dbraw/zinc/49/81/62/526498162.db2.gz YVFUJYZYYWZBDQ-QFIPXVFZSA-N 0 0 429.907 5.375 50 30 IKEARN N#C[C@H](C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2)C(=S)Nc1ccccc1 ZINC000071415888 526508375 /nfs/dbraw/zinc/50/83/75/526508375.db2.gz VAQHLYITMJLBCV-HSZRJFAPSA-N 0 0 448.551 5.400 50 30 IKEARN N#C[C@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000049722794 526510784 /nfs/dbraw/zinc/51/07/84/526510784.db2.gz HSDUHHRMMLNVIQ-GFCCVEGCSA-N 0 0 449.276 6.342 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1O ZINC000016426275 526517682 /nfs/dbraw/zinc/51/76/82/526517682.db2.gz BHNMFUWMAHUHPN-UHFFFAOYSA-N 0 0 429.423 5.075 50 30 IKEARN N#Cc1c(Cl)nc(N=NCc2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl ZINC000012376528 526520694 /nfs/dbraw/zinc/52/06/94/526520694.db2.gz XWLUYGJXDDDKFR-OPEKNORGSA-N 0 0 431.710 5.938 50 30 IKEARN Cc1noc(C)c1CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000048340774 526528350 /nfs/dbraw/zinc/52/83/50/526528350.db2.gz VWMSFHJHKAYGGD-UHFFFAOYSA-N 0 0 444.478 5.384 50 30 IKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccccc3Br)o1)CCCCC2 ZINC000020601947 526528594 /nfs/dbraw/zinc/52/85/94/526528594.db2.gz ZHQAVASWPBAYSX-UHFFFAOYSA-N 0 0 438.325 5.406 50 30 IKEARN N#Cc1c(SCC(=O)c2ccc(F)c(F)c2)nc2c(c1-c1cccs1)CCCC2 ZINC000012369946 526531236 /nfs/dbraw/zinc/53/12/36/526531236.db2.gz RTGMYCXSMRSKHL-UHFFFAOYSA-N 0 0 426.513 5.814 50 30 IKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(Oc2ccccc2)cc1 ZINC000008762066 526572173 /nfs/dbraw/zinc/57/21/73/526572173.db2.gz SHZYKXMHXZSLLZ-CXUHLZMHSA-N 0 0 431.944 7.460 50 30 IKEARN N#Cc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000012908498 526609743 /nfs/dbraw/zinc/60/97/43/526609743.db2.gz TUFJILBEFMUICQ-UHFFFAOYSA-N 0 0 448.441 5.107 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035840233 526632728 /nfs/dbraw/zinc/63/27/28/526632728.db2.gz RKCMLPNFEPUCFP-UHFFFAOYSA-N 0 0 427.316 5.998 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(C(F)(F)F)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 ZINC000002732265 526674433 /nfs/dbraw/zinc/67/44/33/526674433.db2.gz VSJPGDCKSZNWBP-HNNXBMFYSA-N 0 0 439.224 5.299 50 30 IKEARN N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)nc1 ZINC000012748660 526686584 /nfs/dbraw/zinc/68/65/84/526686584.db2.gz LHPTUPVMKAOIDX-UHFFFAOYSA-N 0 0 428.304 5.311 50 30 IKEARN N#Cc1cccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000035847444 526712501 /nfs/dbraw/zinc/71/25/01/526712501.db2.gz BELAOEBKOINLNG-UHFFFAOYSA-N 0 0 443.403 6.786 50 30 IKEARN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 ZINC000012468331 526736929 /nfs/dbraw/zinc/73/69/29/526736929.db2.gz SJSRCOOPRRWHBH-NDENLUEZSA-N 0 0 431.289 5.392 50 30 IKEARN N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012757228 526738591 /nfs/dbraw/zinc/73/85/91/526738591.db2.gz RGKVPMLJMVKWKK-UXHICEINSA-N 0 0 435.618 5.491 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001140659 526750756 /nfs/dbraw/zinc/75/07/56/526750756.db2.gz VLPRORBEWKUXPP-UHFFFAOYSA-N 0 0 449.963 5.452 50 30 IKEARN N#Cc1cccnc1Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000012749577 526755982 /nfs/dbraw/zinc/75/59/82/526755982.db2.gz UKLCAIORTVWVQP-UHFFFAOYSA-N 0 0 425.304 5.054 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NCc1ccccc1 ZINC000021722000 526827194 /nfs/dbraw/zinc/82/71/94/526827194.db2.gz BFLMFOCWSSBKTJ-SANMLTNESA-N 0 0 443.572 5.045 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccccc1F ZINC000021722742 526827677 /nfs/dbraw/zinc/82/76/77/526827677.db2.gz XYKHUYOPELAIKK-VWLOTQADSA-N 0 0 447.535 5.506 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NCc1cccs1 ZINC000021722012 526827689 /nfs/dbraw/zinc/82/76/89/526827689.db2.gz OYIXWMWGAKURDO-DEOSSOPVSA-N 0 0 449.601 5.106 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1cccc(F)c1 ZINC000021722747 526827909 /nfs/dbraw/zinc/82/79/09/526827909.db2.gz VPGWWVZGGHPBTM-VWLOTQADSA-N 0 0 447.535 5.506 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C(/c1ccc(F)cc1)C1CC1 ZINC000012369024 526842112 /nfs/dbraw/zinc/84/21/12/526842112.db2.gz CLHDWZZNMINJLI-NCELDCMTSA-N 0 0 433.266 6.067 50 30 IKEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=N)NOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000008648825 526842141 /nfs/dbraw/zinc/84/21/41/526842141.db2.gz YHMBFYRSMPWKEN-UHFFFAOYSA-N 0 0 429.879 5.217 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1ccccc1[N+](=O)[O-] ZINC000001042698 526842664 /nfs/dbraw/zinc/84/26/64/526842664.db2.gz MNVYJPJCEBGRTB-ZVBGSRNCSA-N 0 0 435.223 5.448 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000012368105 526842759 /nfs/dbraw/zinc/84/27/59/526842759.db2.gz QOLQWIWTIXAYTD-HCGXMYGOSA-N 0 0 449.552 7.363 50 30 IKEARN Cc1onc(-c2ccccc2)c1-c1csc(N=NCc2c(Cl)cccc2Cl)n1 ZINC000012369806 526843813 /nfs/dbraw/zinc/84/38/13/526843813.db2.gz OUGJWGOGJDMGPE-AUEPDCJTSA-N 0 0 429.332 6.526 50 30 IKEARN Clc1c(Cl)c(Cl)c(NC(=Nc2ccccc2)c2ccccc2)c(Cl)c1Cl ZINC000012563664 526924427 /nfs/dbraw/zinc/92/44/27/526924427.db2.gz STKYYUQQNRKMTG-UHFFFAOYSA-N 0 0 444.576 8.144 50 30 IKEARN Clc1ccc(CN=Nc2nc(-c3cc(-c4ccc(Cl)cc4Cl)no3)cs2)cc1 ZINC000012369799 526939360 /nfs/dbraw/zinc/93/93/60/526939360.db2.gz YIHVOZSSWRKFOR-NUGSKGIGSA-N 0 0 449.750 6.871 50 30 IKEARN Clc1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1 ZINC000004577703 526939908 /nfs/dbraw/zinc/93/99/08/526939908.db2.gz XBYSJHGVQIWNPZ-JJFYIABZSA-N 0 0 427.689 5.752 50 30 IKEARN Clc1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1 ZINC000013476602 526939976 /nfs/dbraw/zinc/93/99/76/526939976.db2.gz XBYSJHGVQIWNPZ-SSDVNMTOSA-N 0 0 427.689 5.752 50 30 IKEARN O=C1/C(=C/c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C\c1ccc(F)c(F)c1 ZINC000012564521 526939981 /nfs/dbraw/zinc/93/99/81/526939981.db2.gz PDYHCWPXGVXJJG-CLVAPQHMSA-N 0 0 437.436 5.795 50 30 IKEARN O=C1/C(=C/c2ccccc2Cl)CN(Cc2ccccc2)C/C1=C\c1ccccc1Cl ZINC000025781993 526942724 /nfs/dbraw/zinc/94/27/24/526942724.db2.gz MOWSEIJAODKLRS-HOFJZWJUSA-N 0 0 434.366 6.545 50 30 IKEARN O=C1/C(=C\c2ccc(Br)s2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000008722233 526946490 /nfs/dbraw/zinc/94/64/90/526946490.db2.gz GDVKCAUXPONIGI-BRQLWOPXSA-N 0 0 445.363 5.908 50 30 IKEARN O=C1C(=C2SC(c3ccccc3)=C(c3ccccc3)S2)CCC/C1=C\c1ccccc1 ZINC000051329787 526949264 /nfs/dbraw/zinc/94/92/64/526949264.db2.gz JXZLOGWPZAUTDI-FCDQGJHFSA-N 0 0 438.617 8.041 50 30 IKEARN Clc1ccc(CO/N=C2\CC3(c4ccccc42)C2CC4CC(C2)CC3C4)c(Cl)c1 ZINC000012338566 526950508 /nfs/dbraw/zinc/95/05/08/526950508.db2.gz HLOCRCWEKWUMHD-ZZIIXHQDSA-N 0 0 426.387 7.012 50 30 IKEARN Clc1ccc(CO/N=C/c2c(SCc3ccccc3)nc3sccn23)cc1Cl ZINC000008855380 526950516 /nfs/dbraw/zinc/95/05/16/526950516.db2.gz WLWXWUHKOMNEJP-FOKLQQMPSA-N 0 0 448.400 6.546 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@H](c3ccc(F)cc3)C12 ZINC000009856565 526966163 /nfs/dbraw/zinc/96/61/63/526966163.db2.gz JSRJIODJVUDTAP-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN O=C1CCCC2=C1[C@H](c1cccs1)N(S(=O)(=O)c1ccccc1)c1ccccc1N2 ZINC000021722852 526969413 /nfs/dbraw/zinc/96/94/13/526969413.db2.gz JAXVMSWGKWXILJ-QHCPKHFHSA-N 0 0 436.558 5.117 50 30 IKEARN Clc1ccccc1CO/N=C1/CCCc2c1cc(-c1ccccc1)n2-c1ccccc1 ZINC000012960567 526989123 /nfs/dbraw/zinc/98/91/23/526989123.db2.gz CQGWLYUMAVBQAA-GNVQSUKOSA-N 0 0 426.947 7.055 50 30 IKEARN O=C1CS/C(=N\N=C\c2ccc(Br)cc2)N1Cc1cccc2ccccc21 ZINC000013564400 527015816 /nfs/dbraw/zinc/01/58/16/527015816.db2.gz HUBUMFQFTVPSRZ-VCASSKIBSA-N 0 0 438.350 5.068 50 30 IKEARN Cc1nc(SCC(=O)Nc2ccccc2Cl)c(C#N)c(C)c1/N=N/c1ccccc1 ZINC000012369921 527019027 /nfs/dbraw/zinc/01/90/27/527019027.db2.gz WUGYNPGZBWKYSY-BYYHNAKLSA-N 0 0 435.940 6.370 50 30 IKEARN Cc1nc(SCc2ccccc2)c(C#N)c(C)c1/N=N/c1cc(Cl)cc(Cl)c1 ZINC000012369920 527021941 /nfs/dbraw/zinc/02/19/41/527021941.db2.gz KEAOQKKFUJITGA-CYYJNZCTSA-N 0 0 427.360 7.585 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Br)Nc1ccccc1N2 ZINC000000709506 527023785 /nfs/dbraw/zinc/02/37/85/527023785.db2.gz ASSBIDWZDQGTAA-SSOJOUAXSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1C[C@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000017970045 527030472 /nfs/dbraw/zinc/03/04/72/527030472.db2.gz CBLHHUBFBGJLOQ-FQEVSTJZSA-N 0 0 435.936 5.505 50 30 IKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000016447542 527031852 /nfs/dbraw/zinc/03/18/52/527031852.db2.gz JEOYTJHJEPVVGE-WGDIFIGCSA-N 0 0 428.463 5.534 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 ZINC000000720845 527032465 /nfs/dbraw/zinc/03/24/65/527032465.db2.gz HDMIDZMGSQUFQA-XBBWARJSSA-N 0 0 446.506 6.031 50 30 IKEARN O=C1N(c2ccc(C(F)(F)F)cc2)/C(=N/c2ccc(C(F)(F)F)cc2)SC12CC2 ZINC000012368060 527039083 /nfs/dbraw/zinc/03/90/83/527039083.db2.gz FZDIGQGSMQACPZ-QQXSKIMKSA-N 0 0 430.373 6.024 50 30 IKEARN O=C(CSc1cccc2cccc(Cl)c21)N1CCS/C1=N\Cc1ccccc1 ZINC000012533459 527040680 /nfs/dbraw/zinc/04/06/80/527040680.db2.gz BSIQLIKULRYPPQ-GYHWCHFESA-N 0 0 426.994 5.717 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000018254827 527041892 /nfs/dbraw/zinc/04/18/92/527041892.db2.gz ZMYVRDCEXAIISX-VCHYOVAHSA-N 0 0 433.291 6.284 50 30 IKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000012602255 527042476 /nfs/dbraw/zinc/04/24/76/527042476.db2.gz LGCPWEPBLZUWIX-QGOAFFKASA-N 0 0 432.376 5.875 50 30 IKEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013548780 527042585 /nfs/dbraw/zinc/04/25/85/527042585.db2.gz HNZGPYSFIOWBMD-WQRHYEAKSA-N 0 0 448.853 6.510 50 30 IKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000009310525 527042877 /nfs/dbraw/zinc/04/28/77/527042877.db2.gz OMZMBFWEZGVZJM-FSJBWODESA-N 0 0 430.573 5.752 50 30 IKEARN O=C1Nc2ccccc2C12C/C(=C\c1cccc(F)c1)C(=O)/C(=C/c1cccc(F)c1)C2 ZINC000040146069 527090127 /nfs/dbraw/zinc/09/01/27/527090127.db2.gz CSFOVIUJLCWDPI-AYKLPDECSA-N 0 0 427.450 5.685 50 30 IKEARN O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1 ZINC000002256880 527099550 /nfs/dbraw/zinc/09/95/50/527099550.db2.gz OAMPGTZPOVSCHJ-LJQANCHMSA-N 0 0 429.701 6.180 50 30 IKEARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccn(-c2ccc(F)cc2)n1 ZINC000048353548 527105850 /nfs/dbraw/zinc/10/58/50/527105850.db2.gz PHANIJZZJIPQKP-UHFFFAOYSA-N 0 0 447.310 5.224 50 30 IKEARN O=C(Nc1cc(Cl)cc(Cl)c1)O/N=C1/c2ccccc2N(c2ccccc2)C1=O ZINC000012338659 527110122 /nfs/dbraw/zinc/11/01/22/527110122.db2.gz MHMYVXNUSPQEHZ-PLRJNAJWSA-N 0 0 426.259 5.625 50 30 IKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccccc1Br ZINC000013655548 527121827 /nfs/dbraw/zinc/12/18/27/527121827.db2.gz BVTITMCTPLJMCT-VJWOQVONSA-N 0 0 433.301 6.158 50 30 IKEARN O=C1c2ccccc2C(Nc2ccc(Br)cc2)=C1c1ccc(C(F)(F)F)cc1 ZINC000101079494 527131597 /nfs/dbraw/zinc/13/15/97/527131597.db2.gz DWZJQFWYHFBZNX-UHFFFAOYSA-N 0 0 444.250 6.645 50 30 IKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000013609096 527135297 /nfs/dbraw/zinc/13/52/97/527135297.db2.gz WYCSGKOENFHISE-VCHYOVAHSA-N 0 0 428.263 5.947 50 30 IKEARN O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1ccc(F)cc1 ZINC000020575733 527138642 /nfs/dbraw/zinc/13/86/42/527138642.db2.gz FGHICAHLYXNBAT-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000039563645 527140374 /nfs/dbraw/zinc/14/03/74/527140374.db2.gz CCHQAHAGXCKWPP-LFIBNONCSA-N 0 0 426.947 6.826 50 30 IKEARN Cn1cc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 ZINC000009422640 527144853 /nfs/dbraw/zinc/14/48/53/527144853.db2.gz LCLAOJOKGFXBDV-BHGWPJFGSA-N 0 0 433.866 6.166 50 30 IKEARN Cn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(-c2ccccc2)n1 ZINC000390834983 527144951 /nfs/dbraw/zinc/14/49/51/527144951.db2.gz ZWJGCLYWSNNVLL-JTTBSPGMSA-N 0 0 438.571 5.911 50 30 IKEARN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000001015775 527146291 /nfs/dbraw/zinc/14/62/91/527146291.db2.gz ZSWLOYHPSHLOFC-UOODYVSWSA-N 0 0 435.936 5.505 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000009264213 527178944 /nfs/dbraw/zinc/17/89/44/527178944.db2.gz GIXZSSHMMHVCAO-QHCPKHFHSA-N 0 0 433.895 6.145 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000012958020 527180638 /nfs/dbraw/zinc/18/06/38/527180638.db2.gz JSRASXQLAWASLT-HDHZYAPQSA-N 0 0 432.820 5.419 50 30 IKEARN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000012652132 527301622 /nfs/dbraw/zinc/30/16/22/527301622.db2.gz WRUZWXKDTPBPFF-RUZDIDTESA-N 0 0 448.975 6.151 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2)ccc1Sc1ccc(Cl)cc1 ZINC000003028691 527326199 /nfs/dbraw/zinc/32/61/99/527326199.db2.gz CICSNIZXQQMKOT-FSJBWODESA-N 0 0 433.316 6.604 50 30 IKEARN O=[N+]([O-])c1ccc(-c2csc(N=NC(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000045068174 527343243 /nfs/dbraw/zinc/34/32/43/527343243.db2.gz JLTMRBGXWFMOHG-UHFFFAOYSA-N 0 0 428.517 5.972 50 30 IKEARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1)CCC3 ZINC000013574810 527437589 /nfs/dbraw/zinc/43/75/89/527437589.db2.gz IEYJIIYRBMYVIE-ZHACJKMWSA-N 0 0 445.569 5.577 50 30 IKEARN O=C(COc1ccc(Cl)cc1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000021147888 527499239 /nfs/dbraw/zinc/49/92/39/527499239.db2.gz SXBMPWFGWPJANV-UHFFFAOYSA-N 0 0 426.900 5.858 50 30 IKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000018196675 527522654 /nfs/dbraw/zinc/52/26/54/527522654.db2.gz MYOJHVPITZDGNY-DEOSSOPVSA-N 0 0 441.531 5.418 50 30 IKEARN OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671128 527533458 /nfs/dbraw/zinc/53/34/58/527533458.db2.gz LWCLGUDCFDTQBF-UHFFFAOYSA-N 0 0 428.135 5.133 50 30 IKEARN Cn1nc(-c2ccccc2)c([C@H](O)C#Cc2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000003049330 527538311 /nfs/dbraw/zinc/53/83/11/527538311.db2.gz RTCPWVSNJMWLNZ-JOCHJYFZSA-N 0 0 430.960 5.977 50 30 IKEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(SCc2cscn2)cc1 ZINC000012764377 527546478 /nfs/dbraw/zinc/54/64/78/527546478.db2.gz PQJFSECWAAAVQP-UHFFFAOYSA-N 0 0 432.492 5.236 50 30 IKEARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(C)cc(C)cc1C)C1C(=O)c3ccccc3C1=N2 ZINC000013121864 527567156 /nfs/dbraw/zinc/56/71/56/527567156.db2.gz RJYBIBFTTKYBOH-XMMPIXPASA-N 0 0 432.527 5.666 50 30 IKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H]([C@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012589274 527571343 /nfs/dbraw/zinc/57/13/43/527571343.db2.gz GIVACYCDGIYMJO-AOMKIAJQSA-N 0 0 444.604 6.299 50 30 IKEARN O/N=C(/CCC/C(=N/O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013635703 527586676 /nfs/dbraw/zinc/58/66/76/527586676.db2.gz DVJGYTAHCFTURG-ISPAOBMBSA-N 0 0 440.135 5.439 50 30 IKEARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000095464961 527587120 /nfs/dbraw/zinc/58/71/20/527587120.db2.gz GARPLPUDAJJVDS-UHFFFAOYSA-N 0 0 427.892 5.142 50 30 IKEARN O=C(/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000013591048 527591266 /nfs/dbraw/zinc/59/12/66/527591266.db2.gz QDMZUWVXMJWTDD-LFIBNONCSA-N 0 0 439.216 6.651 50 30 IKEARN O=C(/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000012523666 527591551 /nfs/dbraw/zinc/59/15/51/527591551.db2.gz SQKCLJXHIMONIT-LGMDPLHJSA-N 0 0 435.386 5.496 50 30 IKEARN O=C(/C(=N/Nc1ccc(Cl)cc1)c1nc2ccccc2oc1=O)c1ccc(Cl)cc1 ZINC000013757949 527592253 /nfs/dbraw/zinc/59/22/53/527592253.db2.gz JFJBJLIYLSQRBE-ZXVVBBHZSA-N 0 0 438.270 5.194 50 30 IKEARN O=C(C=C(Nc1ccccc1)SCc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000008648673 527592517 /nfs/dbraw/zinc/59/25/17/527592517.db2.gz ROWWIYGIQINJTG-LPYMAVHISA-N 0 0 432.347 7.202 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccc(F)cc2)o1 ZINC000012284806 527602876 /nfs/dbraw/zinc/60/28/76/527602876.db2.gz VVMMJVNRTLPNFU-PKNBQFBNSA-N 0 0 437.264 7.004 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000036636062 527604201 /nfs/dbraw/zinc/60/42/01/527604201.db2.gz DHZZAXYIVJWVSC-SDNWHVSQSA-N 0 0 436.423 6.559 50 30 IKEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc(Nc2nc3ccccc3s2)cc1 ZINC000012604653 527606200 /nfs/dbraw/zinc/60/62/00/527606200.db2.gz DMVLRCOHWFLPRP-VGOFMYFVSA-N 0 0 435.346 6.699 50 30 IKEARN O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000038198377 527617828 /nfs/dbraw/zinc/61/78/28/527617828.db2.gz KISDMIYGCXSOEN-OVCLIPMQSA-N 0 0 443.318 5.113 50 30 IKEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000013512014 527621283 /nfs/dbraw/zinc/62/12/83/527621283.db2.gz KBRDSYJNSDGBBE-SOFGYWHQSA-N 0 0 441.310 6.240 50 30 IKEARN O=C(/C=C/c1ccc2ncccc2c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000012555443 527622009 /nfs/dbraw/zinc/62/20/09/527622009.db2.gz FXEHMRFQWCIMSC-UKTHLTGXSA-N 0 0 436.898 6.293 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1C ZINC000032972344 527629640 /nfs/dbraw/zinc/62/96/40/527629640.db2.gz SHBRHVFUERZYCT-UHFFFAOYSA-N 0 0 444.366 5.050 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccc(F)cc1 ZINC000012564694 527646237 /nfs/dbraw/zinc/64/62/37/527646237.db2.gz AENRVMIGPUKJTE-SDNWHVSQSA-N 0 0 447.307 6.337 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000013129538 527646426 /nfs/dbraw/zinc/64/64/26/527646426.db2.gz RLLWBRBNESUGLF-ZRDIBKRKSA-N 0 0 448.478 5.953 50 30 IKEARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)OC/C(=N/c1ccccc1)Nc1ccccc1 ZINC000033481625 527654897 /nfs/dbraw/zinc/65/48/97/527654897.db2.gz SQQTYZPTOSEOCV-OWBHPGMISA-N 0 0 425.315 6.392 50 30 IKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccs1 ZINC000015836616 527659431 /nfs/dbraw/zinc/65/94/31/527659431.db2.gz BBKYVZZVKUFMFO-RAXLEYEMSA-N 0 0 435.346 6.259 50 30 IKEARN FC(F)(F)c1ccccc1NN=Cc1c(Br)sc2ccc(Cl)cc12 ZINC000012367559 527687272 /nfs/dbraw/zinc/68/72/72/527687272.db2.gz JZHDMDYXIVMXRY-GZIVZEMBSA-N 0 0 433.680 6.782 50 30 IKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000000626568 555512923 /nfs/dbraw/zinc/51/29/23/555512923.db2.gz VSLOTBYHIRQVRY-XMMPIXPASA-N 0 0 440.474 5.128 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000000629422 555514068 /nfs/dbraw/zinc/51/40/68/555514068.db2.gz LNGUJIJRGOTNDZ-HSZRJFAPSA-N 0 0 439.939 5.767 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000000629456 555514078 /nfs/dbraw/zinc/51/40/78/555514078.db2.gz MIPQXBIRHIEEEJ-QFIPXVFZSA-N 0 0 425.912 5.377 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000000630717 555514561 /nfs/dbraw/zinc/51/45/61/555514561.db2.gz LYLCHAAMYDNCQX-WTYVLRPYSA-N 0 0 439.559 5.741 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 ZINC000000630720 555514625 /nfs/dbraw/zinc/51/46/25/555514625.db2.gz HEGVWABNIAPBMT-HFJWLAOPSA-N 0 0 430.935 6.328 50 30 IKEARN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000631014 555514826 /nfs/dbraw/zinc/51/48/26/555514826.db2.gz VFLLVJXBOMJHSF-RUZDIDTESA-N 0 0 434.536 5.459 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 ZINC000000631006 555514888 /nfs/dbraw/zinc/51/48/88/555514888.db2.gz GVFVTHRQZMBLLI-QMTYFTJSSA-N 0 0 444.918 6.048 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000649742 555522460 /nfs/dbraw/zinc/52/24/60/555522460.db2.gz CUAQGFKCHYSLKC-QFIPXVFZSA-N 0 0 439.353 5.612 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000654756 555524406 /nfs/dbraw/zinc/52/44/06/555524406.db2.gz ZFLJUPDRWUJWEP-DEOSSOPVSA-N 0 0 437.495 5.007 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc(Br)c1 ZINC000000663063 555527430 /nfs/dbraw/zinc/52/74/30/555527430.db2.gz NTAHEAFMDPYKQC-TZIWHRDSSA-N 0 0 434.333 5.491 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC ZINC000000669641 555530148 /nfs/dbraw/zinc/53/01/48/555530148.db2.gz FDUYHIUOGCDUBX-XMMPIXPASA-N 0 0 434.536 5.257 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC ZINC000000669643 555530233 /nfs/dbraw/zinc/53/02/33/555530233.db2.gz FDUYHIUOGCDUBX-DEOSSOPVSA-N 0 0 434.536 5.257 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000000669918 555530396 /nfs/dbraw/zinc/53/03/96/555530396.db2.gz USBCNMJGJPYFFK-VWLOTQADSA-N 0 0 439.471 5.412 50 30 IKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000000672256 555532019 /nfs/dbraw/zinc/53/20/19/555532019.db2.gz KUVCTWBIVUECOM-WHLCRQNOSA-N 0 0 440.543 6.073 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000000681096 555537465 /nfs/dbraw/zinc/53/74/65/555537465.db2.gz MPKRNEJXJDFNLB-VWLOTQADSA-N 0 0 447.962 6.820 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000681878 555537749 /nfs/dbraw/zinc/53/77/49/555537749.db2.gz UNQYSMUMZWEZGU-DWXRJYCRSA-N 0 0 441.487 5.583 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000000681768 555537768 /nfs/dbraw/zinc/53/77/68/555537768.db2.gz JRAKLIMXZQJKME-RUZDIDTESA-N 0 0 439.471 5.412 50 30 IKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000000682681 555538186 /nfs/dbraw/zinc/53/81/86/555538186.db2.gz ICDDYVJYXMNNCS-OAQYLSRUSA-N 0 0 444.453 5.401 50 30 IKEARN CC(C)Oc1ccccc1[C@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1 ZINC000000684837 555539561 /nfs/dbraw/zinc/53/95/61/555539561.db2.gz NIKVNJYTYCJLII-XMMPIXPASA-N 0 0 428.557 5.287 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000707155 555545408 /nfs/dbraw/zinc/54/54/08/555545408.db2.gz RYIPGNDNIOHWRE-DEOSSOPVSA-N 0 0 433.935 6.517 50 30 IKEARN Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@]2(O)CC(C)(C)C[C@](C)(C3)C2)cc1 ZINC000000707817 555545417 /nfs/dbraw/zinc/54/54/17/555545417.db2.gz QAQUQGOMHJOOAE-AXHLRHTKSA-N 0 0 444.641 5.097 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000000708741 555545784 /nfs/dbraw/zinc/54/57/84/555545784.db2.gz UOVHWDQSTBWHMY-VWLOTQADSA-N 0 0 443.543 6.175 50 30 IKEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000000708825 555545804 /nfs/dbraw/zinc/54/58/04/555545804.db2.gz VEMXZDDCIZHGKV-GJZUVCINSA-N 0 0 443.543 5.044 50 30 biogenic IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC ZINC000000709636 555546516 /nfs/dbraw/zinc/54/65/16/555546516.db2.gz YSPATPBMNCXEOI-HFJWLAOPSA-N 0 0 427.504 5.078 50 30 IKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000709669 555546821 /nfs/dbraw/zinc/54/68/21/555546821.db2.gz PNBMOJTYKBKKSI-UZTOHYMASA-N 0 0 426.516 5.770 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/c4cc(C)cc(Br)c4O)ccc3o2)cc1 ZINC000000711650 555547456 /nfs/dbraw/zinc/54/74/56/555547456.db2.gz CHEYKAZUNKETNI-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000712726 555547713 /nfs/dbraw/zinc/54/77/13/555547713.db2.gz CXBANNODYSUWHE-HHHXNRCGSA-N 0 0 441.527 6.083 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2c(cc1Cl)OCO2 ZINC000000714194 555548045 /nfs/dbraw/zinc/54/80/45/555548045.db2.gz UNQNZVVOJZRGFT-UHFFFAOYSA-N 0 0 428.912 5.469 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000000717035 555548816 /nfs/dbraw/zinc/54/88/16/555548816.db2.gz RFBYMWAFDRFDDM-VLIAUNLRSA-N 0 0 447.478 5.302 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000000717034 555548898 /nfs/dbraw/zinc/54/88/98/555548898.db2.gz RFBYMWAFDRFDDM-JLTOFOAXSA-N 0 0 447.478 5.302 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000717671 555549138 /nfs/dbraw/zinc/54/91/38/555549138.db2.gz NVSMXBWCDAZHLR-QMHKHESXSA-N 0 0 439.552 5.448 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 ZINC000000720526 555549716 /nfs/dbraw/zinc/54/97/16/555549716.db2.gz GFHWUBIEAVZQDB-MQNRADLISA-N 0 0 432.545 5.745 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000000720132 555549725 /nfs/dbraw/zinc/54/97/25/555549725.db2.gz SUQRXGNRUNKAAR-IZHWHUGBSA-N 0 0 432.545 5.745 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1O ZINC000000725317 555551360 /nfs/dbraw/zinc/55/13/60/555551360.db2.gz XKHOMWKYBJAXMY-ZMOGYAJESA-N 0 0 439.309 5.475 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 ZINC000000726636 555551576 /nfs/dbraw/zinc/55/15/76/555551576.db2.gz PHDZSSBNSAVARJ-XMMPIXPASA-N 0 0 437.580 5.564 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1O ZINC000000729453 555552627 /nfs/dbraw/zinc/55/26/27/555552627.db2.gz GNKHAOYTTTZSRO-SHACYNPGSA-N 0 0 448.544 5.450 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000000781130 555554992 /nfs/dbraw/zinc/55/49/92/555554992.db2.gz COCBLBSQRYDPIB-DNOBIOAJSA-N 0 0 426.516 5.683 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781194 555555185 /nfs/dbraw/zinc/55/51/85/555555185.db2.gz ITXHUVWRPATFIF-IVZQSRNASA-N 0 0 425.525 5.200 50 30 IKEARN COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1O ZINC000000795660 555558064 /nfs/dbraw/zinc/55/80/64/555558064.db2.gz TUOCHJKUFIMDRA-AREMUKBSSA-N 0 0 440.499 5.218 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(N2CCOCC2)cc1 ZINC000000809296 555560197 /nfs/dbraw/zinc/56/01/97/555560197.db2.gz QZRZMKCAVUGUHH-MUUNZHRXSA-N 0 0 438.571 5.986 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1OC ZINC000000812847 555560804 /nfs/dbraw/zinc/56/08/04/555560804.db2.gz WDIGNQZYAIJBOV-MYUZEXMDSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000000812869 555561223 /nfs/dbraw/zinc/56/12/23/555561223.db2.gz QSTWRMPTFOQGTR-QUGAMOGWSA-N 0 0 432.470 5.953 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000000812868 555561226 /nfs/dbraw/zinc/56/12/26/555561226.db2.gz QSTWRMPTFOQGTR-QLXKLKPCSA-N 0 0 432.470 5.953 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O ZINC000000815829 555562063 /nfs/dbraw/zinc/56/20/63/555562063.db2.gz MMOUQZPPZBBYDD-WINIVTDRSA-N 0 0 426.516 5.689 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1OC ZINC000000815788 555562091 /nfs/dbraw/zinc/56/20/91/555562091.db2.gz NOXGFUIHZRXLNU-WINIVTDRSA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000000815911 555562565 /nfs/dbraw/zinc/56/25/65/555562565.db2.gz AVDNCSPUPQTZCG-WTYVLRPYSA-N 0 0 440.543 5.992 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000822767 555564213 /nfs/dbraw/zinc/56/42/13/555564213.db2.gz URHCQHNCKYUNEI-NTKDMRAZSA-N 0 0 435.951 5.653 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000832974 555566605 /nfs/dbraw/zinc/56/66/05/555566605.db2.gz CERUAOPVNNYCQJ-VWLOTQADSA-N 0 0 428.488 6.066 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000000844132 555568708 /nfs/dbraw/zinc/56/87/08/555568708.db2.gz SJNPZJQFLYAIKK-UZUQRXQVSA-N 0 0 439.914 5.404 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc2c(cc1Cl)OCO2 ZINC000000851457 555570448 /nfs/dbraw/zinc/57/04/48/555570448.db2.gz MZHUNDCNEGIOGO-RUZDIDTESA-N 0 0 431.919 6.531 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000853745 555570646 /nfs/dbraw/zinc/57/06/46/555570646.db2.gz WYHRPDDRWYVJSZ-QFQXNSOFSA-N 0 0 445.559 5.399 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1 ZINC000000856555 555571393 /nfs/dbraw/zinc/57/13/93/555571393.db2.gz LZWMCIHUFKFIJD-PPHZAIPVSA-N 0 0 442.584 6.397 50 30 IKEARN COc1ccc(Br)cc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000861341 555572318 /nfs/dbraw/zinc/57/23/18/555572318.db2.gz ZKGXJKIIAPUVFS-NRFANRHFSA-N 0 0 427.342 5.680 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000000861124 555572395 /nfs/dbraw/zinc/57/23/95/555572395.db2.gz FLWSURSIFHMWID-QUGAMOGWSA-N 0 0 441.487 5.583 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000861070 555572427 /nfs/dbraw/zinc/57/24/27/555572427.db2.gz YROSDODVBIPNCI-IBVKSMDESA-N 0 0 445.534 5.673 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000000864765 555573312 /nfs/dbraw/zinc/57/33/12/555573312.db2.gz TWHKLDDIONUDGJ-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1 ZINC000000872437 555575717 /nfs/dbraw/zinc/57/57/17/555575717.db2.gz IGNKQYZXOGECOQ-WINIVTDRSA-N 0 0 426.516 5.899 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 ZINC000000883126 555578066 /nfs/dbraw/zinc/57/80/66/555578066.db2.gz DVDPCBUPISECOT-QMTYFTJSSA-N 0 0 432.470 5.953 50 30 IKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)s1 ZINC000000883352 555578381 /nfs/dbraw/zinc/57/83/81/555578381.db2.gz PZWAYNKZLXUSCB-WGDIFIGCSA-N 0 0 430.573 6.299 50 30 IKEARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)ON=C1CCCCC1 ZINC000000890913 555579815 /nfs/dbraw/zinc/57/98/15/555579815.db2.gz CIRQLYWXQJXZHO-UHFFFAOYSA-N 0 0 427.423 5.257 50 30 IKEARN CC1(C)[C@H](C(=O)O[C@@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl ZINC000000900663 555581136 /nfs/dbraw/zinc/58/11/36/555581136.db2.gz QQODLKZGRKWIFG-BPAFIMBUSA-N 0 0 434.294 6.317 50 30 in-man IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 ZINC000000909356 555582202 /nfs/dbraw/zinc/58/22/02/555582202.db2.gz XEWNTSPCWZVDPT-OAQYLSRUSA-N 0 0 433.470 5.549 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000000993759 555597659 /nfs/dbraw/zinc/59/76/59/555597659.db2.gz LMMGMZUBXLIXJQ-SANMLTNESA-N 0 0 440.518 6.283 50 30 IKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)o1 ZINC000000994427 555598043 /nfs/dbraw/zinc/59/80/43/555598043.db2.gz NVDLQMQDNXREAN-MHZLTWQESA-N 0 0 440.543 5.974 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000001009966 555601670 /nfs/dbraw/zinc/60/16/70/555601670.db2.gz CPLNGBNICXUHSF-NRFANRHFSA-N 0 0 449.963 5.556 50 30 IKEARN Cc1cccc(/N=C2\S/C(=C\c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C ZINC000001015428 555602581 /nfs/dbraw/zinc/60/25/81/555602581.db2.gz MPHGYVPESXJXRT-QPUMKRSLSA-N 0 0 440.366 5.781 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001049135 555612433 /nfs/dbraw/zinc/61/24/33/555612433.db2.gz VVECEIQGOJKZDR-LJQANCHMSA-N 0 0 440.286 6.118 50 30 IKEARN COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c([N+](=O)[O-])cc1OC ZINC000001058402 555615412 /nfs/dbraw/zinc/61/54/12/555615412.db2.gz HLFBZNAVJDCLCR-ZMOGYAJESA-N 0 0 433.489 5.948 50 30 IKEARN CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 ZINC000001066563 555618801 /nfs/dbraw/zinc/61/88/01/555618801.db2.gz TYMIGKASUDASBX-WINIVTDRSA-N 0 0 425.532 5.848 50 30 IKEARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2)C1C(=O)c1ccccc1 ZINC000001069477 555620207 /nfs/dbraw/zinc/62/02/07/555620207.db2.gz TYTYIQVENKAGRT-JOCHJYFZSA-N 0 0 444.332 5.971 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC ZINC000001097761 555628127 /nfs/dbraw/zinc/62/81/27/555628127.db2.gz ONWRRUVUXMKAKW-GKVSMKOHSA-N 0 0 432.545 5.745 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107159 555629612 /nfs/dbraw/zinc/62/96/12/555629612.db2.gz RFRLKHBOFUCJLI-NSYGIPOTSA-N 0 0 445.906 6.228 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120518 555637249 /nfs/dbraw/zinc/63/72/49/555637249.db2.gz COVPLLUFWZDQIK-GGAORHGYSA-N 0 0 433.548 5.050 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000001127595 555641953 /nfs/dbraw/zinc/64/19/53/555641953.db2.gz ALEVSAGTMVIFJA-ZUOKHONESA-N 0 0 447.478 5.302 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000001129561 555643627 /nfs/dbraw/zinc/64/36/27/555643627.db2.gz DGPWEHMZLRGBKU-OAQYLSRUSA-N 0 0 433.847 5.458 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3Cl)nc1N2 ZINC000001129490 555643643 /nfs/dbraw/zinc/64/36/43/555643643.db2.gz ZZLWRRCVJBKGIH-LJQANCHMSA-N 0 0 449.963 5.692 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1c(F)cccc1Cl ZINC000001130022 555643949 /nfs/dbraw/zinc/64/39/49/555643949.db2.gz CCPSBZYGMFJUEL-LFVRLGFBSA-N 0 0 443.877 5.153 50 30 IKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000001170839 555666496 /nfs/dbraw/zinc/66/64/96/555666496.db2.gz BVOIPXPHYXLSCY-AKJBCIBTSA-N 0 0 444.918 6.048 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001174797 555669210 /nfs/dbraw/zinc/66/92/10/555669210.db2.gz TUNPVMHUQVHRPP-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000001175865 555669748 /nfs/dbraw/zinc/66/97/48/555669748.db2.gz APSGUMSFHBDRAD-UHFFFAOYSA-N 0 0 443.971 5.418 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001177193 555670227 /nfs/dbraw/zinc/67/02/27/555670227.db2.gz KRQRITBIGHTDQJ-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001183826 555673090 /nfs/dbraw/zinc/67/30/90/555673090.db2.gz DWULHNLCQUHIJD-NYHFZMIOSA-N 0 0 427.591 5.370 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2Cl)c1 ZINC000001185853 555673956 /nfs/dbraw/zinc/67/39/56/555673956.db2.gz FCBSXAHZDYQGAO-HXUWFJFHSA-N 0 0 442.346 5.303 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl ZINC000001199304 555677926 /nfs/dbraw/zinc/67/79/26/555677926.db2.gz MMIJTDNGKZNQHE-PPHZAIPVSA-N 0 0 442.946 6.261 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000001202686 555679083 /nfs/dbraw/zinc/67/90/83/555679083.db2.gz LGJDTSPXJNLJLU-OPAMFIHVSA-N 0 0 442.342 5.528 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc(Cl)cc1)N2 ZINC000001202885 555679434 /nfs/dbraw/zinc/67/94/34/555679434.db2.gz VYWNXLFAJOZAHZ-VWLOTQADSA-N 0 0 428.919 6.157 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000001204589 555679945 /nfs/dbraw/zinc/67/99/45/555679945.db2.gz OFFYFBDLLLMXKK-KSFYIVLOSA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000001204584 555680021 /nfs/dbraw/zinc/68/00/21/555680021.db2.gz OFFYFBDLLLMXKK-ZHRRBRCNSA-N 0 0 425.887 5.014 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000001213056 555682770 /nfs/dbraw/zinc/68/27/70/555682770.db2.gz WHXBHKJHHJDCRF-AREMUKBSSA-N 0 0 445.559 5.433 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000001213033 555682775 /nfs/dbraw/zinc/68/27/75/555682775.db2.gz IEZGPYRAYNHBCB-RBZFPXEDSA-N 0 0 435.486 5.651 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000001213038 555682779 /nfs/dbraw/zinc/68/27/79/555682779.db2.gz IEZGPYRAYNHBCB-RNODOKPDSA-N 0 0 435.486 5.651 50 30 IKEARN CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000001219214 555685091 /nfs/dbraw/zinc/68/50/91/555685091.db2.gz FRBKOIJENMRIFX-QFIPXVFZSA-N 0 0 432.907 5.189 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001219703 555685437 /nfs/dbraw/zinc/68/54/37/555685437.db2.gz WDLUUDAGFQCRQK-XTXDOFFSSA-N 0 0 445.902 5.531 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 ZINC000001221160 555686001 /nfs/dbraw/zinc/68/60/01/555686001.db2.gz GLFGLAVYEGWMMO-SANMLTNESA-N 0 0 445.559 5.228 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000001240489 555687134 /nfs/dbraw/zinc/68/71/34/555687134.db2.gz YPOKFCMALMBUBT-JOCHJYFZSA-N 0 0 429.347 6.156 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3ccc(F)cc3)C12 ZINC000001283533 555689034 /nfs/dbraw/zinc/68/90/34/555689034.db2.gz FIEVFKJHBBKHDW-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000001408929 555694047 /nfs/dbraw/zinc/69/40/47/555694047.db2.gz UXXFGVKPOTVQKM-WINIVTDRSA-N 0 0 426.516 5.683 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Br)c1 ZINC000001408515 555694081 /nfs/dbraw/zinc/69/40/81/555694081.db2.gz VLQFDXJAHKJOII-UHFFFAOYSA-N 0 0 444.369 5.128 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000001413008 555694579 /nfs/dbraw/zinc/69/45/79/555694579.db2.gz MJCMKTPAJJWGSN-HFJWLAOPSA-N 0 0 428.601 7.025 50 30 IKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000001413011 555694613 /nfs/dbraw/zinc/69/46/13/555694613.db2.gz MJCMKTPAJJWGSN-DWXRJYCRSA-N 0 0 428.601 7.025 50 30 IKEARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C ZINC000001427386 555696219 /nfs/dbraw/zinc/69/62/19/555696219.db2.gz AITJTURKCCCOIZ-MZKRTTBSSA-N 0 0 441.402 7.134 50 30 IKEARN CSc1nnc(N2C(=O)C[C@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)s1 ZINC000001445850 555698784 /nfs/dbraw/zinc/69/87/84/555698784.db2.gz QSXDDHOJLANZIU-GFCCVEGCSA-N 0 0 433.986 5.077 50 30 IKEARN Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 ZINC000001446273 555699096 /nfs/dbraw/zinc/69/90/96/555699096.db2.gz OEYYIIQKGKVDPR-ZCYQVOJMSA-N 0 0 441.512 5.694 50 30 IKEARN CC(=O)C1=NN(c2ccccc2Cl)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001815196 555718462 /nfs/dbraw/zinc/71/84/62/555718462.db2.gz CZZCNFWZDFAVFD-OAQYLSRUSA-N 0 0 443.981 5.481 50 30 IKEARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000001843602 555720160 /nfs/dbraw/zinc/72/01/60/555720160.db2.gz QQODLKZGRKWIFG-MOXGXCLJSA-N 0 0 434.294 6.317 50 30 in-man IKEARN CCCCCCCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O ZINC000001902739 555723611 /nfs/dbraw/zinc/72/36/11/555723611.db2.gz ACUHVRVAJDHVED-UHFFFAOYSA-N 0 0 442.555 7.029 50 30 IKEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000001948184 555726388 /nfs/dbraw/zinc/72/63/88/555726388.db2.gz JOVGUMFGBVGINY-CIAFOILYSA-N 0 0 425.311 5.139 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000002055107 555730045 /nfs/dbraw/zinc/73/00/45/555730045.db2.gz AESGGEWVVJMBOS-IBGZPJMESA-N 0 0 436.379 5.941 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C ZINC000002055451 555730570 /nfs/dbraw/zinc/73/05/70/555730570.db2.gz AHEKUNMMNLALIW-DEOSSOPVSA-N 0 0 439.596 5.811 50 30 IKEARN N#Cc1c2c(sc1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)CCCC2 ZINC000002055727 555730579 /nfs/dbraw/zinc/73/05/79/555730579.db2.gz URASCPXDCZNQTG-UVHMKAGCSA-N 0 0 441.383 7.135 50 30 IKEARN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000002056721 555730884 /nfs/dbraw/zinc/73/08/84/555730884.db2.gz DXECUDDQLCOJBO-PFITVWDTSA-N 0 0 438.270 7.126 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000002062884 555732456 /nfs/dbraw/zinc/73/24/56/555732456.db2.gz LRUYIRWSJUGJCW-UHFFFAOYSA-N 0 0 435.564 6.402 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002069366 555734278 /nfs/dbraw/zinc/73/42/78/555734278.db2.gz CDOAWUQVYHTJJX-JOCHJYFZSA-N 0 0 427.972 5.820 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002073019 555735196 /nfs/dbraw/zinc/73/51/96/555735196.db2.gz NEUHYIQTLUDKOE-OPAMFIHVSA-N 0 0 441.980 5.716 50 30 IKEARN O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000002075472 555735693 /nfs/dbraw/zinc/73/56/93/555735693.db2.gz KRMHUPHTIHZVRU-DIBXZPPDSA-N 0 0 446.721 6.586 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C2/c3ccccc3N(C)C2=O)C(=O)N1c1ccccc1C ZINC000002081280 555737825 /nfs/dbraw/zinc/73/78/25/555737825.db2.gz MVLAYSHQJMDJKV-YZYICMKNSA-N 0 0 439.540 5.459 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\C=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002082223 555738689 /nfs/dbraw/zinc/73/86/89/555738689.db2.gz PPVNLTXZAAHASO-AZKSEUFHSA-N 0 0 438.596 7.176 50 30 IKEARN Cc1cccc(C)c1NC(=O)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000002087846 555740490 /nfs/dbraw/zinc/74/04/90/555740490.db2.gz XFEOMXUJUXWTTC-MWAVMZGNSA-N 0 0 439.437 5.612 50 30 IKEARN O=C1c2ccccc2N[C@H](c2cccc3cccnc32)N1/N=C/c1cccc2cccnc12 ZINC000002098448 555742398 /nfs/dbraw/zinc/74/23/98/555742398.db2.gz WPVWBYOJTFBRAC-FLANDWEYSA-N 0 0 429.483 5.384 50 30 IKEARN COc1ccc(/N=C2\SC(=NNc3ccccc3)S\C2=N/c2ccc(OC)cc2)cc1 ZINC000002122775 555745617 /nfs/dbraw/zinc/74/56/17/555745617.db2.gz SZIBCHBDYJGDJV-NUJSLWOLSA-N 0 0 448.573 6.327 50 30 IKEARN CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000002141561 555748130 /nfs/dbraw/zinc/74/81/30/555748130.db2.gz BGOFCPTWTLESKZ-PFMNSIPKSA-N 0 0 432.545 5.489 50 30 IKEARN O=C(CSc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002143948 555748796 /nfs/dbraw/zinc/74/87/96/555748796.db2.gz VQFPAWRLLZYZPF-UHFFFAOYSA-N 0 0 447.322 6.474 50 30 IKEARN C=C1S/C(=N\c2cccc(OC)c2)N(C(=O)c2c(F)cccc2F)C12CCCCC2 ZINC000002160852 555750821 /nfs/dbraw/zinc/75/08/21/555750821.db2.gz PNAWPTPDCQXDPU-ROMGYVFFSA-N 0 0 428.504 6.067 50 30 IKEARN C=CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000002163067 555751240 /nfs/dbraw/zinc/75/12/40/555751240.db2.gz ATHHIMMRTKFDOV-AJGXWLHTSA-N 0 0 435.552 6.636 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 ZINC000002175088 555752396 /nfs/dbraw/zinc/75/23/96/555752396.db2.gz GYWBLQYMNLXOHM-GOESLVMASA-N 0 0 448.519 5.647 50 30 IKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O ZINC000002176700 555752437 /nfs/dbraw/zinc/75/24/37/555752437.db2.gz NCOQVWMWODYLAI-UHFFFAOYSA-N 0 0 448.346 6.311 50 30 IKEARN Cc1c(/N=C/c2ccccc2OCCOc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000002179825 555753012 /nfs/dbraw/zinc/75/30/12/555753012.db2.gz GTTLREYZOWNBHV-TURZUDJPSA-N 0 0 441.531 5.001 50 30 IKEARN Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)s4)c(C)c3)cc2C)s1 ZINC000002181518 555753991 /nfs/dbraw/zinc/75/39/91/555753991.db2.gz NMLKIBAQXDTWCF-DPCVLPDWSA-N 0 0 428.626 8.211 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 ZINC000002183437 555754548 /nfs/dbraw/zinc/75/45/48/555754548.db2.gz NWKPVWRRCIOSHN-UHFFFAOYSA-N 0 0 426.651 6.697 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2ccccc2F)o1 ZINC000002186403 555755554 /nfs/dbraw/zinc/75/55/54/555755554.db2.gz VRIDZDMTQPFRSL-MUUNZHRXSA-N 0 0 437.514 7.548 50 30 IKEARN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000002189425 555756288 /nfs/dbraw/zinc/75/62/88/555756288.db2.gz KBJYLXCDJFHQBD-HAHDFKILSA-N 0 0 430.577 5.360 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 ZINC000002209124 555758019 /nfs/dbraw/zinc/75/80/19/555758019.db2.gz ZEAPQUSEFZZJJT-MTJSOVHGSA-N 0 0 433.489 5.672 50 30 IKEARN Cc1ccccc1C(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000002257401 555763130 /nfs/dbraw/zinc/76/31/30/555763130.db2.gz OQIYGBBUDVSFRN-UHFFFAOYSA-N 0 0 444.297 5.677 50 30 IKEARN O=C(Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)c1sc2ccccc2c1Cl ZINC000002277816 555764991 /nfs/dbraw/zinc/76/49/91/555764991.db2.gz QPHDPYNZEDTMOP-UHFFFAOYSA-N 0 0 444.895 6.237 50 30 IKEARN O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000002309679 555767629 /nfs/dbraw/zinc/76/76/29/555767629.db2.gz PDVGYBUXCSPYFL-SWIXBYDISA-N 0 0 443.930 5.303 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 ZINC000002319036 555768230 /nfs/dbraw/zinc/76/82/30/555768230.db2.gz JJUBKLQVYAHOPM-UHFFFAOYSA-N 0 0 447.069 8.180 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(CCc4ccccc4)cc3)C12 ZINC000002348121 555770905 /nfs/dbraw/zinc/77/09/05/555770905.db2.gz BIBKQYYOUMZJDV-SSEXGKCCSA-N 0 0 445.587 7.338 50 30 IKEARN CC1(C)C[C@@H](n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 ZINC000002350868 555771068 /nfs/dbraw/zinc/77/10/68/555771068.db2.gz CNXKGAYZXKRWOO-SFHVURJKSA-N 0 0 435.593 5.024 50 30 biogenic IKEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000002597706 555789828 /nfs/dbraw/zinc/78/98/28/555789828.db2.gz LAHALEPGAWZGLE-ZMOGYAJESA-N 0 0 427.888 5.019 50 30 IKEARN C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667498 555791790 /nfs/dbraw/zinc/79/17/90/555791790.db2.gz YPWTUUKWFBFQLO-NFQMXDRXSA-N 0 0 444.550 5.043 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002727237 555803191 /nfs/dbraw/zinc/80/31/91/555803191.db2.gz IYEJGRKWWBTDBZ-HSZRJFAPSA-N 0 0 441.999 6.210 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2sccc2C)C(=O)N1c1ccccc1CC ZINC000002739803 555807157 /nfs/dbraw/zinc/80/71/57/555807157.db2.gz IISNDDMLSLRENI-JTUXUYRKSA-N 0 0 432.614 6.990 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc(Cl)c1OC ZINC000002751703 555810326 /nfs/dbraw/zinc/81/03/26/555810326.db2.gz YEYFMRSTOIVOPM-DEDYPNTBSA-N 0 0 438.936 5.792 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(CC)cc1 ZINC000002757373 555811539 /nfs/dbraw/zinc/81/15/39/555811539.db2.gz LROSTCZLJWODRG-BKMJKUGQSA-N 0 0 429.560 5.564 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000002757460 555811572 /nfs/dbraw/zinc/81/15/72/555811572.db2.gz OSFRPGYLCHUTNC-LJQANCHMSA-N 0 0 432.358 5.006 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl ZINC000002775345 555817797 /nfs/dbraw/zinc/81/77/97/555817797.db2.gz ZFAYHMDKIHHFJC-HOYKHHGWSA-N 0 0 435.951 5.655 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000002776230 555818127 /nfs/dbraw/zinc/81/81/27/555818127.db2.gz BJAQRJZBQYOTIL-DFBJGRDBSA-N 0 0 449.522 5.149 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000002788649 555821277 /nfs/dbraw/zinc/82/12/77/555821277.db2.gz ZYTGHOYEGAMYNS-HSZRJFAPSA-N 0 0 425.544 5.696 50 30 IKEARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000034707183 555821823 /nfs/dbraw/zinc/82/18/23/555821823.db2.gz ZDYOQYKUGJUPFX-LHPDUPQPSA-N 0 0 431.919 5.055 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 ZINC000002795942 555822141 /nfs/dbraw/zinc/82/21/41/555822141.db2.gz NQHKQGZIBRBZBL-HXUWFJFHSA-N 0 0 446.385 5.396 50 30 IKEARN COc1ccc([C@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)cc1Br ZINC000002798933 555823758 /nfs/dbraw/zinc/82/37/58/555823758.db2.gz RYHMRNPSEHFXSY-HSZRJFAPSA-N 0 0 434.333 6.284 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)n1 ZINC000034712589 555825810 /nfs/dbraw/zinc/82/58/10/555825810.db2.gz FZYWFYOZFWNXJK-UHFFFAOYSA-N 0 0 449.359 5.620 50 30 IKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 ZINC000002821068 555829722 /nfs/dbraw/zinc/82/97/22/555829722.db2.gz LMEVAUJPKWSHFG-ASIDMNOUSA-N 0 0 443.246 6.311 50 30 IKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(OCc5ccccc5)cc4)cc3)sc2c1 ZINC000002821075 555829823 /nfs/dbraw/zinc/82/98/23/555829823.db2.gz ZUWXIKJOOKNKBZ-RDRPBHBLSA-N 0 0 434.564 7.601 50 30 IKEARN COc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c2ccccc12 ZINC000002834344 555832307 /nfs/dbraw/zinc/83/23/07/555832307.db2.gz KASOQDUDWOBRST-UNOMPAQXSA-N 0 0 425.962 6.406 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccco2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000002844403 555836920 /nfs/dbraw/zinc/83/69/20/555836920.db2.gz YVXMMMIGPJJACV-WXTAPIANSA-N 0 0 449.522 5.656 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccco2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000002844404 555836974 /nfs/dbraw/zinc/83/69/74/555836974.db2.gz YVXMMMIGPJJACV-DWXRJYCRSA-N 0 0 449.522 5.656 50 30 IKEARN N#CCCn1cc(CN(Cc2ccccc2)C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1 ZINC000002845569 555837322 /nfs/dbraw/zinc/83/73/22/555837322.db2.gz TZNXAJOEWBXSEY-UHFFFAOYSA-N 0 0 444.922 5.553 50 30 IKEARN CCN(CC)c1ccc(/N=C/c2ccc(/C=N/c3ccc(N(CC)CC)cc3)cc2)cc1 ZINC000002854259 555840795 /nfs/dbraw/zinc/84/07/95/555840795.db2.gz LCKWPSBPFIXAGK-VFIVCBTMSA-N 0 0 426.608 6.880 50 30 IKEARN Cc1ccc(CNC(=S)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000002856282 555841668 /nfs/dbraw/zinc/84/16/68/555841668.db2.gz AYPDCZGGQWZOLI-UHFFFAOYSA-N 0 0 425.579 5.002 50 30 IKEARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000002861942 555845122 /nfs/dbraw/zinc/84/51/22/555845122.db2.gz ZUCGBBVKTIUPGD-VWLOTQADSA-N 0 0 448.519 5.266 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CSc1ccccc1 ZINC000002865494 555847084 /nfs/dbraw/zinc/84/70/84/555847084.db2.gz ICBFSKRAGIXFHD-HXUWFJFHSA-N 0 0 441.383 6.688 50 30 IKEARN N#C[C@]1(c2cc(Br)ccc2OCc2ccccc2)CCC(=O)N1c1ccccc1 ZINC000002871367 555850060 /nfs/dbraw/zinc/85/00/60/555850060.db2.gz KZYOIJKSCMSKOW-DEOSSOPVSA-N 0 0 447.332 5.574 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1c(F)c(F)c(F)c(F)c1F ZINC000002906049 555861319 /nfs/dbraw/zinc/86/13/19/555861319.db2.gz GMGCRMXJWPGWAV-XMMPIXPASA-N 0 0 443.415 6.845 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2cccc(OC)c2)C1=O ZINC000002910945 555861977 /nfs/dbraw/zinc/86/19/77/555861977.db2.gz NJQDWCYGUVJUHM-RCCKNPSSSA-N 0 0 431.513 5.392 50 30 IKEARN Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)c1 ZINC000002977269 555870362 /nfs/dbraw/zinc/87/03/62/555870362.db2.gz YSSFOPZSWLEOPX-KBKYJPHKSA-N 0 0 433.339 5.357 50 30 IKEARN Cc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1cccc(C)c1C ZINC000002995159 555876031 /nfs/dbraw/zinc/87/60/31/555876031.db2.gz QCDVQMAPZBDBHX-WKIKZPBSSA-N 0 0 430.577 5.243 50 30 IKEARN COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O ZINC000002997598 555876369 /nfs/dbraw/zinc/87/63/69/555876369.db2.gz MYKJGKVNJBQVHD-UHFFFAOYSA-N 0 0 437.580 5.114 50 30 IKEARN C=CCSC1=N/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1 ZINC000003002236 555877865 /nfs/dbraw/zinc/87/78/65/555877865.db2.gz WGLPHRSAFXBFEY-PDGQHHTCSA-N 0 0 445.993 6.207 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000003014378 555880289 /nfs/dbraw/zinc/88/02/89/555880289.db2.gz UCDDJSZWJIRBHU-HXUWFJFHSA-N 0 0 446.385 5.396 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)Nc1ccccc1 ZINC000003094791 555885798 /nfs/dbraw/zinc/88/57/98/555885798.db2.gz OQOUYXAYSNZCTE-ZMOGYAJESA-N 0 0 437.977 6.431 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000003098419 555886403 /nfs/dbraw/zinc/88/64/03/555886403.db2.gz IOUHODBDRMQFMG-OAQYLSRUSA-N 0 0 448.390 6.083 50 30 IKEARN CC(C)(C)NC(=S)N/N=C/c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 ZINC000003127453 555889921 /nfs/dbraw/zinc/88/99/21/555889921.db2.gz HQCINBCZIQACNX-YSURURNPSA-N 0 0 446.951 5.502 50 30 IKEARN FC(F)(F)c1cnc(-n2nccc2/C=N/OCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000003134655 555890906 /nfs/dbraw/zinc/89/09/06/555890906.db2.gz XMVZGYVXBVSXPP-MWRNPHMMSA-N 0 0 449.647 5.797 50 30 IKEARN CCCCCCC#Cc1cncc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1 ZINC000003138222 555891125 /nfs/dbraw/zinc/89/11/25/555891125.db2.gz KJNATPOIWHTTGC-UHFFFAOYSA-N 0 0 425.001 6.145 50 30 IKEARN COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1OC(=O)/C=C/c1cccs1 ZINC000003138317 555891201 /nfs/dbraw/zinc/89/12/01/555891201.db2.gz METCRWHMOQWPOI-GHRZAKMRSA-N 0 0 432.328 6.433 50 30 IKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003147781 555892002 /nfs/dbraw/zinc/89/20/02/555892002.db2.gz RXEVFQIQBAFKFA-HNNXBMFYSA-N 0 0 444.628 6.034 50 30 IKEARN C(=N/c1ccc(-c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1)\c1c[nH]c2ccccc12 ZINC000003146901 555892069 /nfs/dbraw/zinc/89/20/69/555892069.db2.gz YUDMZKQKNPIPMK-LTTYKRRRSA-N 0 0 438.534 7.817 50 30 IKEARN O[C@](Cc1ccccc1)(c1ccccc1)c1ccccc1/N=C/c1ccc(Cl)c(Cl)c1 ZINC000003161670 555892988 /nfs/dbraw/zinc/89/29/88/555892988.db2.gz TZQAMRXGNMSWBK-WSFYNJOLSA-N 0 0 446.377 7.223 50 30 IKEARN COc1ccc(-c2oc(/N=C/c3ccc(F)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003305351 555917155 /nfs/dbraw/zinc/91/71/55/555917155.db2.gz GATIHYPMFNRQGI-MUFRIFMGSA-N 0 0 426.447 6.392 50 30 IKEARN COc1cc(OC)c(C(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 ZINC000034856869 555924516 /nfs/dbraw/zinc/92/45/16/555924516.db2.gz GMVRRASQHIYZQN-BENRWUELSA-N 0 0 434.488 5.196 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)cc1 ZINC000003639568 555943099 /nfs/dbraw/zinc/94/30/99/555943099.db2.gz XGTVBDHKQSNKBC-IQGLISFBSA-N 0 0 449.522 5.149 50 30 IKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1 ZINC000003664870 555944769 /nfs/dbraw/zinc/94/47/69/555944769.db2.gz VBXBPAYKTGQHJF-NKXCCORXSA-N 0 0 426.585 7.235 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000003772463 555946699 /nfs/dbraw/zinc/94/66/99/555946699.db2.gz WFCYVGXXJPBHNY-MHZLTWQESA-N 0 0 445.607 6.086 50 30 IKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000004048131 555955473 /nfs/dbraw/zinc/95/54/73/555955473.db2.gz AHURIOZKCVUFMA-CLYVBNDRSA-N 0 0 444.962 6.718 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004047865 555955487 /nfs/dbraw/zinc/95/54/87/555955487.db2.gz UXBLMKHKNIFXDS-UZTOHYMASA-N 0 0 443.978 6.386 50 30 IKEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004047856 555955516 /nfs/dbraw/zinc/95/55/16/555955516.db2.gz AGQNVTZMIXEHKC-MNNSJKJDSA-N 0 0 437.587 6.512 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004059640 555956163 /nfs/dbraw/zinc/95/61/63/555956163.db2.gz DZUNJFLGANAYID-VWLOTQADSA-N 0 0 445.559 5.433 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004061087 555956533 /nfs/dbraw/zinc/95/65/33/555956533.db2.gz XZEHBYKROOPHBY-DEOSSOPVSA-N 0 0 437.580 5.565 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 ZINC000004064493 555957176 /nfs/dbraw/zinc/95/71/76/555957176.db2.gz XSNLCTYJONDVHU-QMTYFTJSSA-N 0 0 448.925 6.467 50 30 biogenic,in-vitro IKEARN CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004065489 555957458 /nfs/dbraw/zinc/95/74/58/555957458.db2.gz FEAIPHNAYUBJNB-LGGPFLRQSA-N 0 0 438.571 6.845 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000004065628 555957499 /nfs/dbraw/zinc/95/74/99/555957499.db2.gz LNVYGCRQHNZVOG-SSOJOUAXSA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000004078031 555958360 /nfs/dbraw/zinc/95/83/60/555958360.db2.gz NNEXSNHINRWDGU-IVCQMTBJSA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000004082014 555958931 /nfs/dbraw/zinc/95/89/31/555958931.db2.gz GUPPYNAVRNACFU-CRICUBBOSA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 ZINC000004080056 555958953 /nfs/dbraw/zinc/95/89/53/555958953.db2.gz IENZLPCPVYGBNZ-IVCQMTBJSA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 ZINC000004082970 555959270 /nfs/dbraw/zinc/95/92/70/555959270.db2.gz ODDZZRWZCIJQFO-FKAPRUDGSA-N 0 0 442.562 7.333 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 ZINC000004082576 555959351 /nfs/dbraw/zinc/95/93/51/555959351.db2.gz ZVNIIVXBILHVGW-IVCQMTBJSA-N 0 0 435.354 6.973 50 30 IKEARN Brc1ccc(N=NC(Br)c2ccccc2)c(Br)c1 ZINC000004290538 555983494 /nfs/dbraw/zinc/98/34/94/555983494.db2.gz LCAVXBLQYLZLDG-AQTBWJFISA-N 0 0 432.941 5.380 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004349873 555988976 /nfs/dbraw/zinc/98/89/76/555988976.db2.gz BCHULALFBLLPAM-RUZDIDTESA-N 0 0 428.576 5.800 50 30 IKEARN COc1ccccc1/C=C\C(=O)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000004552149 556000821 /nfs/dbraw/zinc/00/08/21/556000821.db2.gz BEPYDKGHSWSSOC-KAMYIIQDSA-N 0 0 426.428 5.008 50 30 IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004635568 556004609 /nfs/dbraw/zinc/00/46/09/556004609.db2.gz CDXZMWKCWCVSJZ-VWLOTQADSA-N 0 0 447.554 5.279 50 30 IKEARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000004794646 556012216 /nfs/dbraw/zinc/01/22/16/556012216.db2.gz RFAHJINACXWYNE-JOCHJYFZSA-N 0 0 427.928 5.566 50 30 IKEARN O=S(=O)(/N=C(/N=C(/Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006025915 556072786 /nfs/dbraw/zinc/07/27/86/556072786.db2.gz KSAJPVALNWFCIF-JOSXGXAISA-N 0 0 440.524 5.348 50 30 IKEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000006142115 556077050 /nfs/dbraw/zinc/07/70/50/556077050.db2.gz VTVZBJAINPBAPU-FMSCZUEMSA-N 0 0 449.963 5.663 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccs3)C2)cc1 ZINC000006156984 556078586 /nfs/dbraw/zinc/07/85/86/556078586.db2.gz IADRAYWMJXEQEO-VOIUYBSRSA-N 0 0 427.529 5.522 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccs3)C2)cc1 ZINC000006157002 556078611 /nfs/dbraw/zinc/07/86/11/556078611.db2.gz IADRAYWMJXEQEO-UPCLLVRISA-N 0 0 427.529 5.522 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006197653 556080250 /nfs/dbraw/zinc/08/02/50/556080250.db2.gz WLIPUUDIJUGUGY-RUZDIDTESA-N 0 0 444.575 5.500 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(CC)s1 ZINC000006197667 556080277 /nfs/dbraw/zinc/08/02/77/556080277.db2.gz VEHPKAAVCHEUTI-JLCFBVMHSA-N 0 0 427.591 5.297 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1F ZINC000006446067 556088486 /nfs/dbraw/zinc/08/84/86/556088486.db2.gz CAYPLBWXIOMWFB-SDHSZQHLSA-N 0 0 437.449 5.249 50 30 IKEARN Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000006459929 556089575 /nfs/dbraw/zinc/08/95/75/556089575.db2.gz YKPAGHFWHBMDOY-JOPVOSQUSA-N 0 0 429.903 5.831 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1 ZINC000006462302 556090092 /nfs/dbraw/zinc/09/00/92/556090092.db2.gz GIMBHBUJZDYZDL-JOBSNELWSA-N 0 0 437.569 5.977 50 30 IKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1 ZINC000006498692 556091809 /nfs/dbraw/zinc/09/18/09/556091809.db2.gz COFDEJPZEYLXTK-WGDIFIGCSA-N 0 0 428.488 5.112 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000006827731 556105432 /nfs/dbraw/zinc/10/54/32/556105432.db2.gz BULLJMKUVKYZDJ-UHFFFAOYSA-N 0 0 445.944 5.118 50 30 IKEARN O=C1SC(SCc2ccc(Cl)cc2)=N/C1=C\c1ccc(Br)s1 ZINC000006997003 556112790 /nfs/dbraw/zinc/11/27/90/556112790.db2.gz ARMSUFPHTTUFLW-GHXNOFRVSA-N 0 0 430.801 6.068 50 30 IKEARN C=CCNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000002678633 556118777 /nfs/dbraw/zinc/11/87/77/556118777.db2.gz BCAZJMZWVQRQFY-QJOMJCCJSA-N 0 0 432.907 5.205 50 30 IKEARN O=C1N/C(=N/N=C/c2ccc(-c3cccc(Cl)c3)o2)S[C@H]1Cc1cccc(Cl)c1 ZINC000002669022 556119918 /nfs/dbraw/zinc/11/99/18/556119918.db2.gz GERDBPIXVJGFRW-OGBFJMLUSA-N 0 0 444.343 5.418 50 30 IKEARN FC(F)c1cc(C(F)F)n2nc(-c3nnc(-c4cccc(C(F)(F)F)c4)o3)cc2n1 ZINC000002803456 556142740 /nfs/dbraw/zinc/14/27/40/556142740.db2.gz ADZARTUVEXBPMY-UHFFFAOYSA-N 0 0 431.271 5.340 50 30 IKEARN Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C(C)(C)C)C3)cnn1C ZINC000002792860 556144738 /nfs/dbraw/zinc/14/47/38/556144738.db2.gz UPQWKMYKYNVFAW-NEOOYVHHSA-N 0 0 440.657 5.754 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S ZINC000002856309 556148056 /nfs/dbraw/zinc/14/80/56/556148056.db2.gz DDODSLLZVIGQSE-LTGZKZEYSA-N 0 0 425.575 5.230 50 30 IKEARN C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 ZINC000002957248 556150964 /nfs/dbraw/zinc/15/09/64/556150964.db2.gz XOARQXKDLXPBEC-KQWNVCNZSA-N 0 0 448.613 5.670 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCCSc3ccc(Cl)cc3)cc2)SC1=S ZINC000002993894 556155852 /nfs/dbraw/zinc/15/58/52/556155852.db2.gz QBNUNFNIAKLLDV-RGEXLXHISA-N 0 0 448.034 5.898 50 30 IKEARN CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000008384120 556160097 /nfs/dbraw/zinc/16/00/97/556160097.db2.gz HUXPANHDIQORGD-QFIPXVFZSA-N 0 0 448.544 5.101 50 30 IKEARN CCCC[C@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@@H]2C1(C)C ZINC000008384843 556160580 /nfs/dbraw/zinc/16/05/80/556160580.db2.gz WEAZETIELYIGMB-FNVCAUGXSA-N 0 0 430.386 5.636 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)ccc1Cl ZINC000008385138 556161162 /nfs/dbraw/zinc/16/11/62/556161162.db2.gz FXVWHACBOFDDJZ-WGCOJADFSA-N 0 0 440.327 5.113 50 30 IKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000008386565 556162147 /nfs/dbraw/zinc/16/21/47/556162147.db2.gz FERNYWQEPLXRLK-BHGWPJFGSA-N 0 0 441.712 6.675 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000008396174 556163297 /nfs/dbraw/zinc/16/32/97/556163297.db2.gz MHLVNAVXAAAOCB-BOPFTXTBSA-N 0 0 446.981 6.583 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000008396176 556163349 /nfs/dbraw/zinc/16/33/49/556163349.db2.gz GRDGUXROMHEQPC-HXNPFYCNSA-N 0 0 428.557 6.326 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C ZINC000008396130 556163354 /nfs/dbraw/zinc/16/33/54/556163354.db2.gz MRDUCHUHMFQMJK-BLEOTABNSA-N 0 0 426.585 7.235 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccccc1Cl)N2 ZINC000008397122 556163868 /nfs/dbraw/zinc/16/38/68/556163868.db2.gz AHGQKEJUFHKILQ-VWLOTQADSA-N 0 0 428.919 6.157 50 30 IKEARN COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n32)c1OC ZINC000008397602 556164201 /nfs/dbraw/zinc/16/42/01/556164201.db2.gz BXESZVNFNSBGGR-WUKNDPDISA-N 0 0 437.499 5.406 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1=O ZINC000008398043 556164586 /nfs/dbraw/zinc/16/45/86/556164586.db2.gz QMPHFJISGJQSPF-XBXARRHUSA-N 0 0 427.125 5.444 50 30 IKEARN COc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OC)c4)cc3)cc2)c1 ZINC000008398505 556164752 /nfs/dbraw/zinc/16/47/52/556164752.db2.gz REABBRDBSQZLRC-CZYCKNNWSA-N 0 0 436.511 6.997 50 30 IKEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccccc1C1CCCCC1 ZINC000008399104 556165149 /nfs/dbraw/zinc/16/51/49/556165149.db2.gz YLLNITIABQGAHU-GZTJUZNOSA-N 0 0 442.555 6.924 50 30 biogenic,in-vitro IKEARN CCOc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000008399862 556165649 /nfs/dbraw/zinc/16/56/49/556165649.db2.gz FZFSZHXVPDKCMF-CKNUFSEASA-N 0 0 445.566 7.192 50 30 IKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2cccc(Br)c2)n1 ZINC000008402092 556166524 /nfs/dbraw/zinc/16/65/24/556166524.db2.gz QOKNTABTFKBFPR-UFFVCSGVSA-N 0 0 426.295 5.125 50 30 IKEARN O=C1/C(=C\c2cccc(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000008408069 556166835 /nfs/dbraw/zinc/16/68/35/556166835.db2.gz BSOCMNASONXDMO-DBSKITMISA-N 0 0 449.373 6.253 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413054 556167342 /nfs/dbraw/zinc/16/73/42/556167342.db2.gz SUPVQWYACMXLIM-QFIPXVFZSA-N 0 0 443.572 5.539 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000008414959 556167360 /nfs/dbraw/zinc/16/73/60/556167360.db2.gz BDFRDFCFDWYBNM-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC ZINC000008424639 556168009 /nfs/dbraw/zinc/16/80/09/556168009.db2.gz HLPHUYUNNXZMJI-UHFFFAOYSA-N 0 0 436.666 5.627 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccs1 ZINC000008426541 556168821 /nfs/dbraw/zinc/16/88/21/556168821.db2.gz MNLOQRCRYSFXEA-XMMPIXPASA-N 0 0 428.557 6.201 50 30 IKEARN O=C(/C=C/c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 ZINC000008430766 556170449 /nfs/dbraw/zinc/17/04/49/556170449.db2.gz LVUSTTLJPLEOCA-RJRNSMGGSA-N 0 0 428.557 5.023 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000008430519 556170479 /nfs/dbraw/zinc/17/04/79/556170479.db2.gz PNGNWPJWZXHUKW-NPMABZOXSA-N 0 0 441.383 7.034 50 30 IKEARN N#Cc1ccccc1CN=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000008432363 556171892 /nfs/dbraw/zinc/17/18/92/556171892.db2.gz DDYZKPVBNJSCGY-AFUMVMLFSA-N 0 0 428.293 5.377 50 30 IKEARN CCCCCOc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000008434834 556172782 /nfs/dbraw/zinc/17/27/82/556172782.db2.gz RSPISSRYNJRGCJ-WEMUVCOSSA-N 0 0 447.578 8.292 50 30 IKEARN C(=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1)c1c2ccccc2cc2ccccc21 ZINC000008435298 556173046 /nfs/dbraw/zinc/17/30/46/556173046.db2.gz YSAXLRRQBDQJRM-TURZUDJPSA-N 0 0 436.563 5.429 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 ZINC000008437040 556173584 /nfs/dbraw/zinc/17/35/84/556173584.db2.gz BCKXJZBWRSMESK-XLNRJJMWSA-N 0 0 443.499 6.057 50 30 IKEARN COc1cc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc(OC)c1OC ZINC000008437044 556173598 /nfs/dbraw/zinc/17/35/98/556173598.db2.gz DWZYPQBSDMJMFJ-ATVHPVEESA-N 0 0 433.435 5.416 50 30 IKEARN CCOc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008439503 556175815 /nfs/dbraw/zinc/17/58/15/556175815.db2.gz FDTIDYNSCPMNCV-RUZDIDTESA-N 0 0 445.559 5.433 50 30 IKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1CCCO ZINC000008440026 556176084 /nfs/dbraw/zinc/17/60/84/556176084.db2.gz WYONYWPDGMNRNC-UHFFFAOYSA-N 0 0 428.705 8.223 50 30 IKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000008439966 556176129 /nfs/dbraw/zinc/17/61/29/556176129.db2.gz QOVPCICKTARHON-XMMPIXPASA-N 0 0 427.500 5.254 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440067 556176135 /nfs/dbraw/zinc/17/61/35/556176135.db2.gz ATQYDIYZLYDUPD-VWLOTQADSA-N 0 0 439.555 6.071 50 30 IKEARN O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000008442870 556177711 /nfs/dbraw/zinc/17/77/11/556177711.db2.gz RPATUCQHNBLEPW-UGFLLLHASA-N 0 0 425.307 5.851 50 30 IKEARN CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000008443850 556178393 /nfs/dbraw/zinc/17/83/93/556178393.db2.gz ZQSRUMGIKOTNIK-SANMLTNESA-N 0 0 432.564 6.028 50 30 IKEARN CCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000008443854 556178407 /nfs/dbraw/zinc/17/84/07/556178407.db2.gz XBPUHAZGAJUOGE-AREMUKBSSA-N 0 0 432.564 6.028 50 30 IKEARN CCOC(=O)c1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCCC3)cc1 ZINC000008444333 556179010 /nfs/dbraw/zinc/17/90/10/556179010.db2.gz DWVADWLNBOKHAM-UHFFFAOYSA-N 0 0 435.593 5.608 50 30 IKEARN CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1OC ZINC000008448961 556180696 /nfs/dbraw/zinc/18/06/96/556180696.db2.gz FYDAQJBKGXKXRP-UHFFFAOYSA-N 0 0 436.552 5.423 50 30 IKEARN CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O ZINC000008448963 556180753 /nfs/dbraw/zinc/18/07/53/556180753.db2.gz BZUFJIZZWHMGGA-UHFFFAOYSA-N 0 0 449.591 6.873 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O ZINC000008451742 556182285 /nfs/dbraw/zinc/18/22/85/556182285.db2.gz SYSLHZGKUNLUIS-ZSINXLAGSA-N 0 0 442.968 5.522 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 ZINC000008452300 556182747 /nfs/dbraw/zinc/18/27/47/556182747.db2.gz APVAUAKEHDSZPH-FUQOYWQNSA-N 0 0 442.584 6.370 50 30 IKEARN Cn1c2ccccc2c2nnc(N=NCc3ccc(-c4cccc(C(F)(F)F)c4)o3)nc21 ZINC000008452991 556183468 /nfs/dbraw/zinc/18/34/68/556183468.db2.gz ZSECZMAIFWIEJE-RPPGKUMJSA-N 0 0 436.397 5.241 50 30 IKEARN O=C(O/N=C1\CCCc2c3cc(C4CCCCC4)ccc3[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000008453896 556184736 /nfs/dbraw/zinc/18/47/36/556184736.db2.gz JEJISTTXHDGUTC-SLEBQGDGSA-N 0 0 431.492 6.021 50 30 IKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000008454169 556185098 /nfs/dbraw/zinc/18/50/98/556185098.db2.gz LTFKDVHRYNOPCR-OEAKJJBVSA-N 0 0 427.504 5.720 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S/C1=N/c1ccccc1 ZINC000008461758 556186164 /nfs/dbraw/zinc/18/61/64/556186164.db2.gz KIDYNMCMMLZZCH-IZSQXYTLSA-N 0 0 449.488 5.487 50 30 IKEARN CC(C)(C)NC(=S)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000008626556 556193456 /nfs/dbraw/zinc/19/34/56/556193456.db2.gz HVYODSDVDRSCKW-FOKLQQMPSA-N 0 0 440.447 5.002 50 30 IKEARN Cc1cc(-c2ccccc2)nc2oc3c(ncn(/N=C/c4ccc(Cl)cc4Cl)c3=O)c21 ZINC000008636805 556194802 /nfs/dbraw/zinc/19/48/02/556194802.db2.gz CBQWPSWHNXBYBE-LUOAPIJWSA-N 0 0 449.297 5.702 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2cccc3ccccc23)c2nc3ccccc3o2)cc1 ZINC000008741901 556207349 /nfs/dbraw/zinc/20/73/49/556207349.db2.gz NOPUFJDAQHTPIL-PLRJNAJWSA-N 0 0 433.507 7.193 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000008742243 556207371 /nfs/dbraw/zinc/20/73/71/556207371.db2.gz UAMHNFUXDDMCPH-WNCULLNHSA-N 0 0 443.587 5.810 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000008763704 556211772 /nfs/dbraw/zinc/21/17/72/556211772.db2.gz QQASDACJHZEFFN-PGMHBOJBSA-N 0 0 443.499 6.057 50 30 IKEARN CCOc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000008763950 556211978 /nfs/dbraw/zinc/21/19/78/556211978.db2.gz INMBJBTYRUWKEK-ZONZVBGPSA-N 0 0 445.522 5.370 50 30 IKEARN CCOc1ccc(-c2cs/c(=N/N=C(\C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000008765911 556212305 /nfs/dbraw/zinc/21/23/05/556212305.db2.gz KDLOFESDRVHGBL-TVLFCFFTSA-N 0 0 447.991 6.583 50 30 IKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000008779956 556214573 /nfs/dbraw/zinc/21/45/73/556214573.db2.gz JKHGYJATRXVMIK-VWLOTQADSA-N 0 0 444.575 5.636 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1=O ZINC000097474808 556216698 /nfs/dbraw/zinc/21/66/98/556216698.db2.gz QMPHFJISGJQSPF-YWEYNIOJSA-N 0 0 427.125 5.444 50 30 IKEARN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 ZINC000008830090 556225156 /nfs/dbraw/zinc/22/51/56/556225156.db2.gz XGBYPXJUPDRINW-USXBGQAZSA-N 0 0 432.387 5.211 50 30 IKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000008846662 556227209 /nfs/dbraw/zinc/22/72/09/556227209.db2.gz NVTWIXACOHQGCP-CBZJRKILSA-N 0 0 444.962 6.718 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C(F)(F)F)cc1 ZINC000008846695 556227227 /nfs/dbraw/zinc/22/72/27/556227227.db2.gz SWLSQKIALIIEJM-QYBDOPJKSA-N 0 0 448.488 6.993 50 30 IKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 ZINC000008892303 556230965 /nfs/dbraw/zinc/23/09/65/556230965.db2.gz PHEASQZZEASOHK-JOCHJYFZSA-N 0 0 449.890 5.140 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 ZINC000008915554 556232448 /nfs/dbraw/zinc/23/24/48/556232448.db2.gz IYWMJZGJVOBLCB-SILNSSARSA-N 0 0 429.472 5.667 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000008916827 556232899 /nfs/dbraw/zinc/23/28/99/556232899.db2.gz CQJJTUOODQCOMJ-ZTOMLWHTSA-N 0 0 436.599 7.272 50 30 IKEARN N#Cc1c(/N=C/c2cccc(Br)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000008935175 556235337 /nfs/dbraw/zinc/23/53/37/556235337.db2.gz FULZOGCXGAKRCN-JVWAILMASA-N 0 0 427.301 6.998 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000008968595 556237122 /nfs/dbraw/zinc/23/71/22/556237122.db2.gz UIRHLVVFWAYYHY-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000008994611 556239392 /nfs/dbraw/zinc/23/93/92/556239392.db2.gz QVVUBRKUPNRMHT-HSZRJFAPSA-N 0 0 435.593 5.206 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(F)cc1 ZINC000009044081 556242345 /nfs/dbraw/zinc/24/23/45/556242345.db2.gz GXCUYFSLMHNBHP-HXUWFJFHSA-N 0 0 432.417 5.531 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009065149 556244428 /nfs/dbraw/zinc/24/44/28/556244428.db2.gz RIUCOGLEHBNCHB-NRFANRHFSA-N 0 0 427.928 5.078 50 30 IKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000009066257 556244897 /nfs/dbraw/zinc/24/48/97/556244897.db2.gz ROZACWHXJRDJAS-IBGZPJMESA-N 0 0 448.525 5.149 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccco1 ZINC000009082841 556245171 /nfs/dbraw/zinc/24/51/71/556245171.db2.gz MQPHVQVIGXMZRJ-AREMUKBSSA-N 0 0 426.516 5.665 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009089228 556245883 /nfs/dbraw/zinc/24/58/83/556245883.db2.gz CFJQPANDIBUDTP-HXUWFJFHSA-N 0 0 434.289 5.232 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1cccc(Cl)c1 ZINC000009109109 556247079 /nfs/dbraw/zinc/24/70/79/556247079.db2.gz OUFYNXNDCTWGAL-HXUWFJFHSA-N 0 0 436.968 5.705 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009110181 556247514 /nfs/dbraw/zinc/24/75/14/556247514.db2.gz NYPUIMUEMHXKAX-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009184890 556250218 /nfs/dbraw/zinc/25/02/18/556250218.db2.gz MMXPVYJCUOUUPZ-QFIPXVFZSA-N 0 0 431.875 5.326 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000009191631 556254057 /nfs/dbraw/zinc/25/40/57/556254057.db2.gz QZJAJWSFAMOGSR-XRHLQHRESA-N 0 0 442.515 5.599 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009241462 556266695 /nfs/dbraw/zinc/26/66/95/556266695.db2.gz TVYGVLXBISWPIF-LJQANCHMSA-N 0 0 436.508 5.363 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(O)cc1 ZINC000009246680 556266944 /nfs/dbraw/zinc/26/69/44/556266944.db2.gz UHKFJYFVMFKIQX-SANMLTNESA-N 0 0 438.527 5.845 50 30 IKEARN O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000009264146 556270069 /nfs/dbraw/zinc/27/00/69/556270069.db2.gz PTLWWTDWVKTKCF-VWLOTQADSA-N 0 0 443.934 6.552 50 30 IKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O ZINC000009264315 556270474 /nfs/dbraw/zinc/27/04/74/556270474.db2.gz GHIOUXPTYCHIBO-MRDQGFSESA-N 0 0 428.488 5.209 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009271458 556271054 /nfs/dbraw/zinc/27/10/54/556271054.db2.gz VEKIOHJACGZVRW-XMMPIXPASA-N 0 0 431.532 5.646 50 30 IKEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000009296670 556275518 /nfs/dbraw/zinc/27/55/18/556275518.db2.gz GKMMFSAFTYITEF-LDADJPATSA-N 0 0 425.307 5.601 50 30 IKEARN CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1OC ZINC000009311178 556279267 /nfs/dbraw/zinc/27/92/67/556279267.db2.gz BCTYUNKGZWFLNH-BOPFTXTBSA-N 0 0 447.354 5.056 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009329779 556282634 /nfs/dbraw/zinc/28/26/34/556282634.db2.gz AJODGYLCVPQYID-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 ZINC000009445523 556292515 /nfs/dbraw/zinc/29/25/15/556292515.db2.gz AKXGPZLJNZNMHN-FXBPSFAMSA-N 0 0 443.499 6.057 50 30 IKEARN O=S(=O)(N=C(NCCc1ccc(Cl)cc1)c1ccccc1Cl)c1cccs1 ZINC000009487352 556294460 /nfs/dbraw/zinc/29/44/60/556294460.db2.gz RDJSZEISDAHKIK-UHFFFAOYSA-N 0 0 439.389 5.023 50 30 IKEARN CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl ZINC000009504838 556295821 /nfs/dbraw/zinc/29/58/21/556295821.db2.gz VFAGDEBNSOPEPN-HXUWFJFHSA-N 0 0 437.971 5.632 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000009546497 556297366 /nfs/dbraw/zinc/29/73/66/556297366.db2.gz BZZXKWMOGQKOBW-IQMFZBJNSA-N 0 0 431.948 6.167 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@H]2c1ccco1 ZINC000009556392 556298068 /nfs/dbraw/zinc/29/80/68/556298068.db2.gz PKBRESAPLDCYQM-DQEYMECFSA-N 0 0 440.499 5.765 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000009559905 556298901 /nfs/dbraw/zinc/29/89/01/556298901.db2.gz GIPWOQUJELTBGT-CJNGLKHVSA-N 0 0 446.330 5.015 50 30 IKEARN Clc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000013756608 556300733 /nfs/dbraw/zinc/30/07/33/556300733.db2.gz OAJLBXBPGDIFFQ-AWUWXFTQSA-N 0 0 435.958 7.446 50 30 IKEARN Cc1cc(C)c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c(C)c1 ZINC000013756749 556300751 /nfs/dbraw/zinc/30/07/51/556300751.db2.gz LMNYAEDMGOPRQL-IMASQNRCSA-N 0 0 443.594 7.718 50 30 IKEARN Cc1sc(N=NCc2ccc(OS(=O)(=O)c3ccccc3)cc2)nc1-c1ccccc1 ZINC000009668264 556305194 /nfs/dbraw/zinc/30/51/94/556305194.db2.gz AINQIZUMLZNOCJ-LFVJCYFKSA-N 0 0 449.557 5.332 50 30 IKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000009680335 556306141 /nfs/dbraw/zinc/30/61/41/556306141.db2.gz VUZDVWRSUQXVCN-ZTOMLWHTSA-N 0 0 438.571 6.763 50 30 IKEARN O=C(NCc1ccccc1Cl)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000013774887 556306965 /nfs/dbraw/zinc/30/69/65/556306965.db2.gz NOTXZCDNUOGNER-UHFFFAOYSA-N 0 0 444.734 5.178 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc1 ZINC000009805265 556309439 /nfs/dbraw/zinc/30/94/39/556309439.db2.gz DLMCFGIKAGDIIT-KCWXNJEJSA-N 0 0 438.571 6.762 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1 ZINC000009850169 556313843 /nfs/dbraw/zinc/31/38/43/556313843.db2.gz ARGFITARBFZFAY-BJUXRVGASA-N 0 0 434.348 5.140 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCc1ccccc1 ZINC000009892552 556315581 /nfs/dbraw/zinc/31/55/81/556315581.db2.gz NXWHGINPEJOMID-JOCHJYFZSA-N 0 0 437.370 6.919 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC ZINC000009972233 556319484 /nfs/dbraw/zinc/31/94/84/556319484.db2.gz VOONULXUNBRPOD-ODCWNRFASA-N 0 0 446.503 5.285 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000009972251 556319689 /nfs/dbraw/zinc/31/96/89/556319689.db2.gz FYCTYEMAPAOEEF-UZTOHYMASA-N 0 0 427.523 5.871 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000009972252 556319727 /nfs/dbraw/zinc/31/97/27/556319727.db2.gz FYCTYEMAPAOEEF-PPHZAIPVSA-N 0 0 427.523 5.871 50 30 IKEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009993320 556320195 /nfs/dbraw/zinc/32/01/95/556320195.db2.gz JRZVUVPVECGDJQ-NRFANRHFSA-N 0 0 442.496 5.088 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3/C=C/c3ccccc3)C2)cc1 ZINC000010035376 556323021 /nfs/dbraw/zinc/32/30/21/556323021.db2.gz LFSSYFWGTHSGLA-YBVOJRRTSA-N 0 0 447.538 6.126 50 30 IKEARN Cc1cccc(CSc2nc3n(n2)[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000010059675 556324046 /nfs/dbraw/zinc/32/40/46/556324046.db2.gz FTQRSPSNNSZBAA-JOCHJYFZSA-N 0 0 430.577 5.537 50 30 IKEARN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O ZINC000013895709 556328973 /nfs/dbraw/zinc/32/89/73/556328973.db2.gz JACQLCOQEXLMCM-KFLOGIKRSA-N 0 0 448.588 6.066 50 30 IKEARN Clc1ccc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c(Cl)c1 ZINC000013896295 556329646 /nfs/dbraw/zinc/32/96/46/556329646.db2.gz RAPFYZQGSFHFIZ-BUVRLJJBSA-N 0 0 433.387 5.210 50 30 IKEARN C/C(=N\Nc1ncc(-c2cc3ccccc3oc2=O)s1)c1ccc(Br)cc1 ZINC000013897737 556330198 /nfs/dbraw/zinc/33/01/98/556330198.db2.gz BMVQXHUVNNIEMB-FSJBWODESA-N 0 0 440.322 5.515 50 30 IKEARN O=C(Oc1cc(Cl)ccc1Cl)c1ccc(/C=N/c2ccc3c4c(cccc42)CC3)cc1 ZINC000004480612 556333969 /nfs/dbraw/zinc/33/39/69/556333969.db2.gz XPXAAQSWROTXDO-WKULSOCRSA-N 0 0 446.333 7.215 50 30 IKEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000013940684 556337946 /nfs/dbraw/zinc/33/79/46/556337946.db2.gz KBQANRFRCMGRBN-YZSQISJMSA-N 0 0 449.507 5.514 50 30 IKEARN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000013942258 556339354 /nfs/dbraw/zinc/33/93/54/556339354.db2.gz UPIASSOMIORTSM-BUVRLJJBSA-N 0 0 448.504 5.417 50 30 IKEARN COc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)ccc1CSc1ccccc1 ZINC000013960091 556346902 /nfs/dbraw/zinc/34/69/02/556346902.db2.gz MCXHJECOEGPMSD-GZTJUZNOSA-N 0 0 443.612 6.874 50 30 IKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 ZINC000014008683 556353837 /nfs/dbraw/zinc/35/38/37/556353837.db2.gz CPOPIBIRDYNDEI-DEDYPNTBSA-N 0 0 435.461 5.145 50 30 IKEARN Cc1cccc(COc2ccccc2/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)c1 ZINC000014010256 556354812 /nfs/dbraw/zinc/35/48/12/556354812.db2.gz PXNFAZOJKPAVLI-HMAPJEAMSA-N 0 0 434.948 6.119 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2OC)c2nc3ccccc3o2)cc1 ZINC000011990824 556383928 /nfs/dbraw/zinc/38/39/28/556383928.db2.gz MJVGCASUFYZVOJ-JWGURIENSA-N 0 0 443.499 6.057 50 30 IKEARN Cc1ccc(C(=O)Nc2s/c(=N\N=C/c3ccccc3)n(C)c2-c2ccccc2)cc1 ZINC000032623439 556410664 /nfs/dbraw/zinc/41/06/64/556410664.db2.gz PVLYLXPPNYOSTE-CIPAVPIUSA-N 0 0 426.545 5.249 50 30 IKEARN Cc1ccc(Sc2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032828853 556413331 /nfs/dbraw/zinc/41/33/31/556413331.db2.gz HYCGMZNNNSECJW-OAQYLSRUSA-N 0 0 449.532 5.267 50 30 IKEARN C=CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccncc1 ZINC000004391010 556414863 /nfs/dbraw/zinc/41/48/63/556414863.db2.gz ZLPTYRIONGZORI-UHFFFAOYSA-N 0 0 437.528 5.186 50 30 IKEARN C=C(C)CSc1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)s1 ZINC000032674113 556415049 /nfs/dbraw/zinc/41/50/49/556415049.db2.gz USWIRWXAGZFVBL-UHFFFAOYSA-N 0 0 448.664 5.948 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1ccccc1 ZINC000014605393 556429229 /nfs/dbraw/zinc/42/92/29/556429229.db2.gz LGPDOZODHGTGEC-MHZLTWQESA-N 0 0 443.591 5.362 50 30 IKEARN N#Cc1c2c(sc1NC(=O)Cn1c3ccccc3nc1NCc1ccccc1)CCCC2 ZINC000032957803 556444278 /nfs/dbraw/zinc/44/42/78/556444278.db2.gz CMVTYPHNCXKARW-UHFFFAOYSA-N 0 0 441.560 5.099 50 30 IKEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000015015421 556484787 /nfs/dbraw/zinc/48/47/87/556484787.db2.gz VSXMJSFBNLNLBA-JQEKIWFTSA-N 0 0 442.456 5.375 50 30 IKEARN Cc1c(Cl)cccc1-c1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)o1 ZINC000015015829 556485129 /nfs/dbraw/zinc/48/51/29/556485129.db2.gz VTEIFAQAWSKGIB-ODLFYWEKSA-N 0 0 429.328 6.453 50 30 IKEARN COc1c(Br)cc(Cl)cc1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O ZINC000015015945 556485149 /nfs/dbraw/zinc/48/51/49/556485149.db2.gz JNNFIDMOJUQCPP-AUWJEWJLSA-N 0 0 441.709 5.142 50 30 IKEARN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1/N=C/c1c(F)cccc1Cl ZINC000015016614 556485813 /nfs/dbraw/zinc/48/58/13/556485813.db2.gz AEVRAICOCQWWTI-CRDRIZJUSA-N 0 0 429.300 5.507 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(OC)c1OC ZINC000015018314 556486854 /nfs/dbraw/zinc/48/68/54/556486854.db2.gz YTGHUEQUAJYCOS-NEYVJZCZSA-N 0 0 446.528 5.521 50 30 IKEARN CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015018650 556487150 /nfs/dbraw/zinc/48/71/50/556487150.db2.gz RHNBRQVHDQNTMP-UCQKPKSFSA-N 0 0 433.485 5.902 50 30 IKEARN COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccccc1C#N ZINC000030743249 556502892 /nfs/dbraw/zinc/50/28/92/556502892.db2.gz FJEXZUWFVLGWPA-QFEZKATASA-N 0 0 436.309 5.354 50 30 IKEARN COc1ccc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000015219416 556511816 /nfs/dbraw/zinc/51/18/16/556511816.db2.gz RUPLGVSGZVWVJE-STBIYBPSSA-N 0 0 438.483 6.262 50 30 IKEARN O=C1ON=C(c2ccccc2)/C1=C1/c2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O ZINC000015228612 556512761 /nfs/dbraw/zinc/51/27/61/556512761.db2.gz CGCGMPNYGSGUBN-QZQOTICOSA-N 0 0 449.293 5.255 50 30 IKEARN FC(F)(F)c1cccc(NC2=NC(=S)N(c3cccc(Cl)c3)C23CCCCC3)c1 ZINC000003090111 556519128 /nfs/dbraw/zinc/51/91/28/556519128.db2.gz CUDHBYNTUPOPEX-UHFFFAOYSA-N 0 0 437.918 6.898 50 30 IKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)c1 ZINC000003090368 556519216 /nfs/dbraw/zinc/51/92/16/556519216.db2.gz BZSVCFWSNAUDSL-PGGKNCGUSA-N 0 0 429.181 6.931 50 30 IKEARN Cc1ccc(/N=C/c2c(OC(=O)c3cccc4ccccc43)ccc3ccccc32)cc1C ZINC000003088619 556519668 /nfs/dbraw/zinc/51/96/68/556519668.db2.gz XZOFNVFGNLQSTF-ZCTHSVRISA-N 0 0 429.519 7.580 50 30 IKEARN N#Cc1ccc(CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[nH]2)cc1 ZINC000015481539 556530077 /nfs/dbraw/zinc/53/00/77/556530077.db2.gz BOYBLBQOIKLUIQ-UHFFFAOYSA-N 0 0 444.463 5.229 50 30 IKEARN COc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1cccc(OC(C)C)c1 ZINC000032577089 556540800 /nfs/dbraw/zinc/54/08/00/556540800.db2.gz VFRUECJFSZJOAM-NHDPSOOVSA-N 0 0 447.358 5.048 50 30 IKEARN COc1ccc(/C=C\C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)c(OC)c1 ZINC000015659925 556541528 /nfs/dbraw/zinc/54/15/28/556541528.db2.gz TXLGTBYZHLTLKB-KAMYIIQDSA-N 0 0 425.484 5.417 50 30 IKEARN O=c1[nH]c2ccccc2cc1C=NNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000032625324 556542980 /nfs/dbraw/zinc/54/29/80/556542980.db2.gz BXODHCGWTZBGSM-WGARJPEWSA-N 0 0 425.879 5.238 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032905216 556547838 /nfs/dbraw/zinc/54/78/38/556547838.db2.gz MZZSQSOJWBGNTG-UHFFFAOYSA-N 0 0 431.520 5.757 50 30 IKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000015821353 556553622 /nfs/dbraw/zinc/55/36/22/556553622.db2.gz ZBWRMHOZDPBWOD-RUZDIDTESA-N 0 0 439.471 5.416 50 30 IKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)cc1 ZINC000015826289 556554193 /nfs/dbraw/zinc/55/41/93/556554193.db2.gz CHUMWJBCGUVNFZ-RUZDIDTESA-N 0 0 442.584 6.513 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)c(OC)c1 ZINC000033354461 556562899 /nfs/dbraw/zinc/56/28/99/556562899.db2.gz PCKPVKZZOZXQQP-UHFFFAOYSA-N 0 0 448.692 8.087 50 30 IKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000015911969 556563139 /nfs/dbraw/zinc/56/31/39/556563139.db2.gz LPROPTXJOKMABJ-QHCPKHFHSA-N 0 0 432.907 5.430 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Cl)c1 ZINC000015945262 556566617 /nfs/dbraw/zinc/56/66/17/556566617.db2.gz ZJZNRZDTSJKFGU-QUOYTPRUSA-N 0 0 429.998 6.114 50 30 IKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1OC ZINC000015945637 556566815 /nfs/dbraw/zinc/56/68/15/556566815.db2.gz AMYYCOKFDKMRSX-DHRITJCHSA-N 0 0 440.952 5.910 50 30 IKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1 ZINC000015945639 556566874 /nfs/dbraw/zinc/56/68/74/556566874.db2.gz MWDKQSAFCGSWIO-DHRITJCHSA-N 0 0 440.952 5.910 50 30 IKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)c1 ZINC000015946425 556567358 /nfs/dbraw/zinc/56/73/58/556567358.db2.gz UJOSRMYCDNUJKD-JFLMPSFJSA-N 0 0 448.588 6.264 50 30 IKEARN CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000015986526 556571143 /nfs/dbraw/zinc/57/11/43/556571143.db2.gz OWBMTJJHYMBJEF-HPNDGRJYSA-N 0 0 447.951 5.694 50 30 IKEARN CN(C)C(=O)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000016163061 556586695 /nfs/dbraw/zinc/58/66/95/556586695.db2.gz VOQLMDVYDIFDIX-CVXQDMMISA-N 0 0 443.528 5.556 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(C)cc1 ZINC000016185223 556587713 /nfs/dbraw/zinc/58/77/13/556587713.db2.gz NJJUIYSQGVOAJM-YJOHERITSA-N 0 0 444.025 6.423 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(C)c2)c1C ZINC000032971635 556589496 /nfs/dbraw/zinc/58/94/96/556589496.db2.gz CUAHRBPCUVPANJ-UHFFFAOYSA-N 0 0 445.611 5.524 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2c(C)nn(CC)c2C)c1 ZINC000032971765 556589614 /nfs/dbraw/zinc/58/96/14/556589614.db2.gz YVPWJDTWKZQNEQ-UHFFFAOYSA-N 0 0 431.584 5.097 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1c(C)nn(CC)c1C ZINC000032971770 556589860 /nfs/dbraw/zinc/58/98/60/556589860.db2.gz MEWVOPPHLUNDNK-UHFFFAOYSA-N 0 0 431.584 5.097 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)cc(C)c2)c1C ZINC000032971774 556589878 /nfs/dbraw/zinc/58/98/78/556589878.db2.gz LEPARVJZIBLSCY-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(Cl)cc2C)c1C ZINC000032971922 556590559 /nfs/dbraw/zinc/59/05/59/556590559.db2.gz ZVKBBFZRCRPZRU-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccc(C(C)C)cc1 ZINC000032972399 556590563 /nfs/dbraw/zinc/59/05/63/556590563.db2.gz GKSAOGOZDJNWEA-UHFFFAOYSA-N 0 0 431.584 5.175 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(C)c2C)c(C)n1 ZINC000032973023 556591986 /nfs/dbraw/zinc/59/19/86/556591986.db2.gz PRPYKOINHFNPGM-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)cc(C)c2)c(C)n1 ZINC000032973009 556592011 /nfs/dbraw/zinc/59/20/11/556592011.db2.gz LVKIKEDJFSHULX-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1 ZINC000032972919 556592666 /nfs/dbraw/zinc/59/26/66/556592666.db2.gz AUGHCYBHAAIANF-UHFFFAOYSA-N 0 0 431.584 5.431 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000016293763 556598683 /nfs/dbraw/zinc/59/86/83/556598683.db2.gz NYOLGTHMWYXCMV-CJAUYULYSA-N 0 0 449.522 5.149 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000016294162 556598861 /nfs/dbraw/zinc/59/88/61/556598861.db2.gz YDGAXONAICYVCT-OAQYLSRUSA-N 0 0 426.438 5.312 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)o1 ZINC000016294221 556598911 /nfs/dbraw/zinc/59/89/11/556598911.db2.gz OYBXZWOJWFPKQS-SIBVEZHUSA-N 0 0 443.499 5.286 50 30 IKEARN O=C(c1ccccc1)C1=CN(c2ccc(OC(F)(F)F)cc2)c2ccccc2S1(=O)=O ZINC000032984137 556603242 /nfs/dbraw/zinc/60/32/42/556603242.db2.gz HMRCKELTUPPPSK-UHFFFAOYSA-N 0 0 445.418 5.235 50 30 IKEARN O=C(c1ccccc1)C1=CN(c2ccc(Br)cc2)c2ccccc2S1(=O)=O ZINC000032984134 556603279 /nfs/dbraw/zinc/60/32/79/556603279.db2.gz WUKWXKLMSIAXRH-UHFFFAOYSA-N 0 0 440.318 5.099 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000032984244 556603611 /nfs/dbraw/zinc/60/36/11/556603611.db2.gz LKXLXTDUVQPNGD-UHFFFAOYSA-N 0 0 430.312 5.643 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984460 556603808 /nfs/dbraw/zinc/60/38/08/556603808.db2.gz SSTBRFMGUOPBHP-UHFFFAOYSA-N 0 0 441.455 5.013 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984439 556603839 /nfs/dbraw/zinc/60/38/39/556603839.db2.gz SSEWKPMTNKQCAO-UHFFFAOYSA-N 0 0 437.492 5.183 50 30 IKEARN CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 ZINC000032984261 556604059 /nfs/dbraw/zinc/60/40/59/556604059.db2.gz YCLRVEPDEZWWQZ-UHFFFAOYSA-N 0 0 433.529 5.352 50 30 IKEARN CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984348 556604245 /nfs/dbraw/zinc/60/42/45/556604245.db2.gz DIJQUMWWSHQEPK-UHFFFAOYSA-N 0 0 439.533 5.506 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984358 556604328 /nfs/dbraw/zinc/60/43/28/556604328.db2.gz CAHIRNJGVUNVTF-UHFFFAOYSA-N 0 0 427.884 5.437 50 30 IKEARN CCOc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000016393246 556604744 /nfs/dbraw/zinc/60/47/44/556604744.db2.gz SUMCZHBAUZFVPT-RUZDIDTESA-N 0 0 427.500 5.728 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997077 556609205 /nfs/dbraw/zinc/60/92/05/556609205.db2.gz NKUZGTZAGUXRPV-QHCPKHFHSA-N 0 0 445.548 5.137 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(=O)CC)c1ccccc1-2 ZINC000032997099 556609215 /nfs/dbraw/zinc/60/92/15/556609215.db2.gz HNKVCEJYWCIEKT-QHCPKHFHSA-N 0 0 445.548 5.137 50 30 IKEARN O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000016451095 556609458 /nfs/dbraw/zinc/60/94/58/556609458.db2.gz DWAQYJZMXFBFCW-PIDRKRQWSA-N 0 0 440.499 6.894 50 30 IKEARN Fc1c(F)c(F)c(N=NCc2ccccc2OCc2cccc3ccccc32)c(F)c1F ZINC000016526330 556614318 /nfs/dbraw/zinc/61/43/18/556614318.db2.gz RWABNOMBBMAZOF-PNQUVVCRSA-N 0 0 442.387 6.560 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000016527514 556614335 /nfs/dbraw/zinc/61/43/35/556614335.db2.gz URVROLGYPGPCLQ-NDEPHWFRSA-N 0 0 448.566 6.269 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 ZINC000032916756 556615650 /nfs/dbraw/zinc/61/56/50/556615650.db2.gz ZEAPQUSEFZZJJT-CIAFOILYSA-N 0 0 433.489 5.672 50 30 IKEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000016662412 556621212 /nfs/dbraw/zinc/62/12/12/556621212.db2.gz QZFGQBJWAPWRSN-HXEHVNBISA-N 0 0 425.340 6.802 50 30 IKEARN Cc1ccc(C(=O)/C=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000016667372 556621668 /nfs/dbraw/zinc/62/16/68/556621668.db2.gz AXWIXMAJZRTHCP-HNLAZJLASA-N 0 0 442.562 7.247 50 30 IKEARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000033714395 556626041 /nfs/dbraw/zinc/62/60/41/556626041.db2.gz ZAPIHSXMNPLXBY-MWYAZZEHSA-N 0 0 445.659 6.569 50 30 IKEARN Cc1cccc(C(=O)Oc2ccc(/C=C3\S/C(=N\c4ccccc4Cl)NC3=O)cc2)c1 ZINC000033753117 556630158 /nfs/dbraw/zinc/63/01/58/556630158.db2.gz NCAJCPAGPUCZPF-STZFKDTASA-N 0 0 448.931 5.759 50 30 IKEARN COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1Cl ZINC000033753141 556630194 /nfs/dbraw/zinc/63/01/94/556630194.db2.gz PPPUKZBDLULFAN-MBXJOHMKSA-N 0 0 431.290 6.616 50 30 IKEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000016737287 556633914 /nfs/dbraw/zinc/63/39/14/556633914.db2.gz QDHOQDLLPRIKRU-HXUWFJFHSA-N 0 0 436.533 5.255 50 30 IKEARN O=C(/C=C/N1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC(F)F)cc1 ZINC000033796080 556636154 /nfs/dbraw/zinc/63/61/54/556636154.db2.gz FZZBIPFGOQZEFL-CMDGGOBGSA-N 0 0 441.305 5.109 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000016804837 556643109 /nfs/dbraw/zinc/64/31/09/556643109.db2.gz KQZBNVXCBKXCQO-HSZRJFAPSA-N 0 0 446.478 5.101 50 30 IKEARN Cc1ccc(C(=O)Oc2ccccc2/C=C2\Oc3ccc(Br)cc3C2=O)cc1 ZINC000016805793 556643705 /nfs/dbraw/zinc/64/37/05/556643705.db2.gz VANFNKDQUAZNRP-MTJSOVHGSA-N 0 0 435.273 5.593 50 30 IKEARN CCOC(=O)Nc1sc(N=NCc2c(F)cccc2Cl)nc1-c1ccc(C)cc1 ZINC000016806345 556644004 /nfs/dbraw/zinc/64/40/04/556644004.db2.gz SIZRNUYBTKVPOE-FOKLQQMPSA-N 0 0 432.908 5.925 50 30 IKEARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807392 556644396 /nfs/dbraw/zinc/64/43/96/556644396.db2.gz QTVGNHNGDIGMKF-IBGZPJMESA-N 0 0 437.609 5.596 50 30 IKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016953602 556650058 /nfs/dbraw/zinc/65/00/58/556650058.db2.gz IXJRHWWCUQQFOC-FQEVSTJZSA-N 0 0 445.544 5.048 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000017028617 556653559 /nfs/dbraw/zinc/65/35/59/556653559.db2.gz MZMZUYCKJBITOA-RUZDIDTESA-N 0 0 436.983 6.673 50 30 IKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000017028046 556653639 /nfs/dbraw/zinc/65/36/39/556653639.db2.gz SDWFGQVANVRFCC-AREMUKBSSA-N 0 0 432.564 5.884 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccccc1 ZINC000017044107 556654091 /nfs/dbraw/zinc/65/40/91/556654091.db2.gz MMIBLOSSVCAZDX-PPHZAIPVSA-N 0 0 426.491 5.746 50 30 IKEARN C=C(C)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Br)cc1)c2=O ZINC000011865235 556664354 /nfs/dbraw/zinc/66/43/54/556664354.db2.gz HNGSXPLIYWBACR-UHFFFAOYSA-N 0 0 439.227 6.196 50 30 IKEARN C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 ZINC000011865069 556664564 /nfs/dbraw/zinc/66/45/64/556664564.db2.gz FRRRHEVSVKWAKH-UHFFFAOYSA-N 0 0 431.414 5.081 50 30 IKEARN Cc1cc(O)c2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2c1 ZINC000011865306 556664618 /nfs/dbraw/zinc/66/46/18/556664618.db2.gz DQRZRTXJAUFKER-UHFFFAOYSA-N 0 0 446.450 5.264 50 30 IKEARN COc1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC ZINC000011868675 556667611 /nfs/dbraw/zinc/66/76/11/556667611.db2.gz JXLWRKRYUVMCJI-JJFYIABZSA-N 0 0 432.472 5.216 50 30 biogenic IKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Br)cc2)c1CCC(C)C ZINC000017124847 556668961 /nfs/dbraw/zinc/66/89/61/556668961.db2.gz RJKPAXCXLFYFCT-UHFFFAOYSA-N 0 0 447.380 6.762 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](C#N)[C@@]2(O)C1 ZINC000017299288 556674845 /nfs/dbraw/zinc/67/48/45/556674845.db2.gz IKAYYSYGCHKPAB-WBOGVSQLSA-N 0 0 443.716 6.987 50 30 IKEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc(-c2ccc(OC)cc2)no1 ZINC000010619970 556676657 /nfs/dbraw/zinc/67/66/57/556676657.db2.gz DPRWCSBQTSJNDX-UHFFFAOYSA-N 0 0 439.924 5.192 50 30 IKEARN N#Cc1ccc(CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC(F)(F)F)cc1 ZINC000032935370 556678065 /nfs/dbraw/zinc/67/80/65/556678065.db2.gz JFNGODVNWINSMW-UHFFFAOYSA-N 0 0 449.527 5.371 50 30 IKEARN Clc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000017952025 556680457 /nfs/dbraw/zinc/68/04/57/556680457.db2.gz IZKKTDYBAJIIHM-GFTXTJKWSA-N 0 0 443.377 8.085 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccco2)cc1 ZINC000018068443 556682664 /nfs/dbraw/zinc/68/26/64/556682664.db2.gz BFVILGZACDUFHH-DCFHFQCYSA-N 0 0 438.527 5.899 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000018116550 556684110 /nfs/dbraw/zinc/68/41/10/556684110.db2.gz LFYMAAVEQYMJLZ-RUZDIDTESA-N 0 0 447.535 5.928 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000018107335 556684235 /nfs/dbraw/zinc/68/42/35/556684235.db2.gz AGSJCDZPIJHFJN-JOCHJYFZSA-N 0 0 429.347 6.156 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000018143244 556684949 /nfs/dbraw/zinc/68/49/49/556684949.db2.gz GDCZHXZFINBTRP-QYBDOPJKSA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000018143246 556684983 /nfs/dbraw/zinc/68/49/83/556684983.db2.gz GDCZHXZFINBTRP-DWXRJYCRSA-N 0 0 430.935 6.328 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cc(Br)ccc3F)C12 ZINC000018180988 556685877 /nfs/dbraw/zinc/68/58/77/556685877.db2.gz QVMHTKLJLLFRFP-JOCHJYFZSA-N 0 0 438.321 6.455 50 30 IKEARN CC(C)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018195455 556686319 /nfs/dbraw/zinc/68/63/19/556686319.db2.gz OEXREUAVLDQMGN-QFIPXVFZSA-N 0 0 427.548 5.902 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000018254794 556688399 /nfs/dbraw/zinc/68/83/99/556688399.db2.gz NFTDSZCSHRANEX-UDWIEESQSA-N 0 0 435.461 5.063 50 30 IKEARN Clc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(Cl)c1 ZINC000003115243 556688397 /nfs/dbraw/zinc/68/83/97/556688397.db2.gz SPTVDLPIDMWSGO-KIBLKLHPSA-N 0 0 436.125 7.859 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000018254904 556688450 /nfs/dbraw/zinc/68/84/50/556688450.db2.gz GQUOAFODXSIJIZ-WOJGMQOQSA-N 0 0 443.297 5.740 50 30 IKEARN COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000018323791 556689322 /nfs/dbraw/zinc/68/93/22/556689322.db2.gz PCKKWYMEJUDDQQ-XMMPIXPASA-N 0 0 446.547 5.272 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000018286047 556689382 /nfs/dbraw/zinc/68/93/82/556689382.db2.gz HPNULZLDPIMLNF-QLXKLKPCSA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000018286041 556689471 /nfs/dbraw/zinc/68/94/71/556689471.db2.gz HPNULZLDPIMLNF-MRDQGFSESA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccccc3)C2)cc1 ZINC000018324468 556689679 /nfs/dbraw/zinc/68/96/79/556689679.db2.gz CHAKSZGALGQIOW-PIKZIKFNSA-N 0 0 438.527 5.616 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000003461825 556697653 /nfs/dbraw/zinc/69/76/53/556697653.db2.gz LKOLIWPFEGPTIO-HNNXBMFYSA-N 0 0 433.356 5.144 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033026466 556703613 /nfs/dbraw/zinc/70/36/13/556703613.db2.gz AKLUZVOIEKVLJU-ZSEKCTLFSA-N 0 0 441.314 5.954 50 30 IKEARN N#CC1(C#N)[C@H](c2ccc(F)cc2F)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000013635529 556705394 /nfs/dbraw/zinc/70/53/94/556705394.db2.gz CAYPLBWXIOMWFB-ISJGIBHGSA-N 0 0 437.449 5.249 50 30 IKEARN CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000073658738 556707814 /nfs/dbraw/zinc/70/78/14/556707814.db2.gz DOMWKUIIPQCAJU-OUBOFRHOSA-N 0 0 428.613 5.970 50 30 IKEARN CC1(C)CC(=O)[C@H]([C@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1 ZINC000005180182 556721996 /nfs/dbraw/zinc/72/19/96/556721996.db2.gz BSMWLMCESYEKFA-ZZTDIAQISA-N 0 0 426.560 6.061 50 30 IKEARN C=CCN(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)Nc1cccc(OC)c1 ZINC000033914459 556723755 /nfs/dbraw/zinc/72/37/55/556723755.db2.gz LEMRLZBCLFPCCM-UHFFFAOYSA-N 0 0 449.576 5.006 50 30 IKEARN O=C(/C=C\c1ccc2ncccc2c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000033921173 556731476 /nfs/dbraw/zinc/73/14/76/556731476.db2.gz FXEHMRFQWCIMSC-LCYFTJDESA-N 0 0 436.898 6.293 50 30 IKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccccc4)NC3=O)c2C)cc1 ZINC000013786136 556731740 /nfs/dbraw/zinc/73/17/40/556731740.db2.gz RDXBLRRUYBTFEI-JCMHNJIXSA-N 0 0 445.544 5.162 50 30 IKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000019314533 556735674 /nfs/dbraw/zinc/73/56/74/556735674.db2.gz WGTIFUWEMHRDIA-GOSISDBHSA-N 0 0 432.358 5.006 50 30 IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl ZINC000033957397 556746923 /nfs/dbraw/zinc/74/69/23/556746923.db2.gz KAZZDRRNZVOQBJ-AEVCOSDWSA-N 0 0 441.402 7.030 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000019536144 556794050 /nfs/dbraw/zinc/79/40/50/556794050.db2.gz YTSBKNUBBRGSOM-NRFANRHFSA-N 0 0 433.470 5.549 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535733 556794086 /nfs/dbraw/zinc/79/40/86/556794086.db2.gz UXUBQWVFBCBFGT-OAQYLSRUSA-N 0 0 447.497 5.795 50 30 IKEARN C=CCn1c(=O)c2ccccc2nc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000002660623 556802925 /nfs/dbraw/zinc/80/29/25/556802925.db2.gz LJJVMIRYOUTYQJ-QFIPXVFZSA-N 0 0 445.519 5.194 50 30 IKEARN COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000003357462 556811428 /nfs/dbraw/zinc/81/14/28/556811428.db2.gz SWXNINOWKRVFCJ-AWEZNQCLSA-N 0 0 426.973 5.898 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004635534 556811777 /nfs/dbraw/zinc/81/17/77/556811777.db2.gz YODKLHFPZCJAOA-RUZDIDTESA-N 0 0 447.554 5.279 50 30 IKEARN CCOc1cc(/C=C/C(=O)Oc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 ZINC000003432853 556815497 /nfs/dbraw/zinc/81/54/97/556815497.db2.gz MBUTYJJZRUZUQA-NTUHNPAUSA-N 0 0 447.462 5.173 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O ZINC000003470744 556816321 /nfs/dbraw/zinc/81/63/21/556816321.db2.gz BYOODFAOHSFYCL-HNNXBMFYSA-N 0 0 428.579 5.023 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000005547978 556823098 /nfs/dbraw/zinc/82/30/98/556823098.db2.gz HFDROJLHVNYNGZ-MOHJPFBDSA-N 0 0 425.528 7.164 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005570539 556826414 /nfs/dbraw/zinc/82/64/14/556826414.db2.gz ILVTYODCIRQXFS-XMMPIXPASA-N 0 0 426.564 5.447 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000019630398 556832324 /nfs/dbraw/zinc/83/23/24/556832324.db2.gz VSKLXCJSVVBUIF-CMJOXMDJSA-N 0 0 439.602 5.657 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000097946014 556833180 /nfs/dbraw/zinc/83/31/80/556833180.db2.gz KBHLWPHKHGBRGO-PTGBLXJZSA-N 0 0 439.646 6.827 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019635432 556834808 /nfs/dbraw/zinc/83/48/08/556834808.db2.gz GJXNZLWSOVVDNT-IVZQSRNASA-N 0 0 442.342 5.528 50 30 IKEARN C=CCn1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 ZINC000096609583 556837574 /nfs/dbraw/zinc/83/75/74/556837574.db2.gz FKXSELWWZVAVTQ-ZBNITPKASA-N 0 0 445.544 5.238 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000019643774 556838490 /nfs/dbraw/zinc/83/84/90/556838490.db2.gz VYWAPTRTHADXDU-SANMLTNESA-N 0 0 445.559 5.433 50 30 IKEARN CC(C)COc1ccc(Cl)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000019645717 556840081 /nfs/dbraw/zinc/84/00/81/556840081.db2.gz LBKMJNJDCYLPPQ-BRJLIKDPSA-N 0 0 447.387 7.093 50 30 IKEARN CCCCCCCCCCCCCCCC(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC#N ZINC000097949437 556840342 /nfs/dbraw/zinc/84/03/42/556840342.db2.gz BUAOZWHUTYXTJD-QHCPKHFHSA-N 0 0 438.653 5.428 50 30 IKEARN CCCCCCCN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C ZINC000097949746 556840624 /nfs/dbraw/zinc/84/06/24/556840624.db2.gz ZBSPOWLAHFWGDR-JOCHJYFZSA-N 0 0 438.572 5.927 50 30 IKEARN CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000019685816 556841810 /nfs/dbraw/zinc/84/18/10/556841810.db2.gz LBERVHLCXUMDOT-MPZZESAYSA-N 0 0 442.684 7.571 50 30 in-man IKEARN C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c1ccccc1 ZINC000096803784 556846368 /nfs/dbraw/zinc/84/63/68/556846368.db2.gz JDVSIHZJXICDCV-MMDHUZEPSA-N 0 0 447.585 5.722 50 30 IKEARN CCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000097950478 556848574 /nfs/dbraw/zinc/84/85/74/556848574.db2.gz RGYTZUZQNXIZMP-UHFFFAOYSA-N 0 0 443.682 7.106 50 30 IKEARN CCCCCCCCCCCCCCCCSc1n[nH]c(CCCCCCCC)n1 ZINC000097951991 556848693 /nfs/dbraw/zinc/84/86/93/556848693.db2.gz WIKSVOWMRBEWPX-UHFFFAOYSA-N 0 0 437.782 9.281 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCN(C)C3 ZINC000097951208 556848839 /nfs/dbraw/zinc/84/88/39/556848839.db2.gz DOUVWBOLMGILIQ-UHFFFAOYSA-N 0 0 441.666 5.806 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21 ZINC000097953008 556849942 /nfs/dbraw/zinc/84/99/42/556849942.db2.gz NJVSFPJCRVXKEE-UHFFFAOYSA-N 0 0 430.552 5.900 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000097953097 556850002 /nfs/dbraw/zinc/85/00/02/556850002.db2.gz ANAACCSZEJMXKT-UHFFFAOYSA-N 0 0 433.531 5.054 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000097953998 556850208 /nfs/dbraw/zinc/85/02/08/556850208.db2.gz LNORPCKBEUJCKK-UHFFFAOYSA-N 0 0 444.579 6.407 50 30 IKEARN CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954403 556850433 /nfs/dbraw/zinc/85/04/33/556850433.db2.gz GKYPMMOJAPYGJJ-OAQYLSRUSA-N 0 0 433.596 6.316 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000019721013 556876329 /nfs/dbraw/zinc/87/63/29/556876329.db2.gz DGVQUIVMQBNTKQ-CTNGQTDRSA-N 0 0 434.333 5.491 50 30 IKEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169233 556880557 /nfs/dbraw/zinc/88/05/57/556880557.db2.gz ZAMYOWBJLXSHAN-UHFFFAOYSA-N 0 0 425.922 5.289 50 30 IKEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)c1 ZINC000033169251 556881844 /nfs/dbraw/zinc/88/18/44/556881844.db2.gz NEUWUIUJEHDQIE-UHFFFAOYSA-N 0 0 425.922 5.289 50 30 IKEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1 ZINC000033248401 556889796 /nfs/dbraw/zinc/88/97/96/556889796.db2.gz ICKQDWXVBXZGBR-RGEXLXHISA-N 0 0 443.593 6.810 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F ZINC000019761925 556905958 /nfs/dbraw/zinc/90/59/58/556905958.db2.gz VNVRIFOIKKKMRY-NYHFZMIOSA-N 0 0 425.887 5.014 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019798087 556916438 /nfs/dbraw/zinc/91/64/38/556916438.db2.gz AHEQYZLQQKFCNG-OAQYLSRUSA-N 0 0 434.363 5.837 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 ZINC000019799461 556917016 /nfs/dbraw/zinc/91/70/16/556917016.db2.gz WJGIWTPPFQCWIF-VWLOTQADSA-N 0 0 431.532 5.185 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc(Br)c1 ZINC000019804929 556917934 /nfs/dbraw/zinc/91/79/34/556917934.db2.gz NTAHEAFMDPYKQC-CTNGQTDRSA-N 0 0 434.333 5.491 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)cc1 ZINC000019831168 556926530 /nfs/dbraw/zinc/92/65/30/556926530.db2.gz HPZJEKCONPWXKY-HSZRJFAPSA-N 0 0 437.561 5.104 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000019832299 556927320 /nfs/dbraw/zinc/92/73/20/556927320.db2.gz MPKUGXXCDXKNSL-JWMLTMDESA-N 0 0 430.529 5.826 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019832357 556927471 /nfs/dbraw/zinc/92/74/71/556927471.db2.gz PDSNKZYSTISUEI-HOYKHHGWSA-N 0 0 435.951 5.653 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019832356 556927488 /nfs/dbraw/zinc/92/74/88/556927488.db2.gz PDSNKZYSTISUEI-UUOWRZLLSA-N 0 0 435.951 5.653 50 30 IKEARN CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000019849098 556930484 /nfs/dbraw/zinc/93/04/84/556930484.db2.gz UKLUKQFXADFNPT-MTDXEUNCSA-N 0 0 430.983 5.620 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(F)cc2)cc1 ZINC000019855368 556931525 /nfs/dbraw/zinc/93/15/25/556931525.db2.gz JZVUAWGNWBCWQD-CLOONOSVSA-N 0 0 449.522 5.148 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000019867071 556934621 /nfs/dbraw/zinc/93/46/21/556934621.db2.gz BVHGKMCFFRAWEG-KBMIEXCESA-N 0 0 431.532 5.008 50 30 IKEARN CCc1ccc(-c2nnc(S/C(=N/Nc3ccccc3)C(=O)c3ccccc3)o2)cc1 ZINC000019879138 556936571 /nfs/dbraw/zinc/93/65/71/556936571.db2.gz SLPRAXFPBGZDFL-SLEBQGDGSA-N 0 0 428.517 5.700 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(O)ccc5ccccc54)c3c2C1 ZINC000019893676 556939955 /nfs/dbraw/zinc/93/99/55/556939955.db2.gz RJALSQWHMDZHMB-WODFAGORSA-N 0 0 444.604 6.537 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1 ZINC000019924557 556944670 /nfs/dbraw/zinc/94/46/70/556944670.db2.gz PFEWZTWVQXTLCZ-OZHCYYCFSA-N 0 0 430.980 6.471 50 30 IKEARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ocnc2C#N)cc1 ZINC000019927861 556945735 /nfs/dbraw/zinc/94/57/35/556945735.db2.gz NSDLJBYSUFIGNZ-RWPZCVJISA-N 0 0 440.507 5.270 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097956237 556977290 /nfs/dbraw/zinc/97/72/90/556977290.db2.gz AOIJPFSDOOPYTG-JOCHJYFZSA-N 0 0 447.623 6.706 50 30 IKEARN C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC ZINC000096983219 556978387 /nfs/dbraw/zinc/97/83/87/556978387.db2.gz JGQMVRMZGQYQPF-YBEGLDIGSA-N 0 0 443.503 5.556 50 30 IKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000097983966 556999308 /nfs/dbraw/zinc/99/93/08/556999308.db2.gz MGSIGEHLSLXRAT-AWEZNQCLSA-N 0 0 431.254 5.830 50 30 IKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000097983965 556999345 /nfs/dbraw/zinc/99/93/45/556999345.db2.gz MGSIGEHLSLXRAT-CQSZACIVSA-N 0 0 431.254 5.830 50 30 IKEARN CCCCCCCC1CCC(C(=O)NCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000097995701 557003485 /nfs/dbraw/zinc/00/34/85/557003485.db2.gz YPDCKGKBVPDEJF-UHFFFAOYSA-N 0 0 430.589 5.085 50 30 IKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(C3CCC(CCC)CC3)cc2)cc1 ZINC000097997856 557004335 /nfs/dbraw/zinc/00/43/35/557004335.db2.gz VGCHQMGVAOBQQT-UHFFFAOYSA-N 0 0 436.636 8.329 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21 ZINC000097998501 557004391 /nfs/dbraw/zinc/00/43/91/557004391.db2.gz NVQXUTHHPKTCBU-UHFFFAOYSA-N 0 0 444.579 6.290 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(-c2ccccc2OC)c2nc3ccccc3nc21 ZINC000097998517 557005770 /nfs/dbraw/zinc/00/57/70/557005770.db2.gz SNDHUFIRNBSPOZ-UHFFFAOYSA-N 0 0 446.551 5.682 50 30 IKEARN CCn1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)cn1 ZINC000013960151 557008724 /nfs/dbraw/zinc/00/87/24/557008724.db2.gz FBGHOXLBRYRLJO-OAHLLOKOSA-N 0 0 441.560 5.428 50 30 IKEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)OCc1cn2ccccc2c1C#N ZINC000098002350 557012308 /nfs/dbraw/zinc/01/23/08/557012308.db2.gz BBKKVOMIOPIKSB-KHPPLWFESA-N 0 0 444.922 5.083 50 30 IKEARN CCCCCCCCS(=O)(=O)CCSCCS(=O)(=O)CCCCCCCC ZINC000098008416 557016096 /nfs/dbraw/zinc/01/60/96/557016096.db2.gz FKNXODVBDZUPGC-UHFFFAOYSA-N 0 0 442.753 5.270 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1 ZINC000032943142 557017196 /nfs/dbraw/zinc/01/71/96/557017196.db2.gz YRACMCPUJLZHFR-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(Cl)cc2C)cc1 ZINC000032943115 557017200 /nfs/dbraw/zinc/01/72/00/557017200.db2.gz ACPOPYUGXCSKDK-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c1 ZINC000032943167 557017222 /nfs/dbraw/zinc/01/72/22/557017222.db2.gz YRDBUFZXLBCHJZ-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)cc1 ZINC000032943134 557017302 /nfs/dbraw/zinc/01/73/02/557017302.db2.gz NYCJZCHVSASPPC-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 IKEARN CCOc1ccc(NC(=NC(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943107 557017313 /nfs/dbraw/zinc/01/73/13/557017313.db2.gz HTKXZIUYXCTPMW-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(Cl)ccc2C)c1 ZINC000032943249 557017990 /nfs/dbraw/zinc/01/79/90/557017990.db2.gz GMDXXUGOGVASLS-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12 ZINC000032943308 557018135 /nfs/dbraw/zinc/01/81/35/557018135.db2.gz AREDKDORRNZUNU-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN CC(C)c1ccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943358 557018181 /nfs/dbraw/zinc/01/81/81/557018181.db2.gz SCAXAAIZAFOSDR-UHFFFAOYSA-N 0 0 442.538 5.871 50 30 IKEARN CC(C)c1ccc(NC(=NC(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943368 557018243 /nfs/dbraw/zinc/01/82/43/557018243.db2.gz BNBIJGVSSJYCCW-UHFFFAOYSA-N 0 0 442.538 5.871 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12 ZINC000032943386 557019171 /nfs/dbraw/zinc/01/91/71/557019171.db2.gz ATHZGJDGYLFTJT-UHFFFAOYSA-N 0 0 444.966 5.824 50 30 IKEARN COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)cc1 ZINC000032943450 557019745 /nfs/dbraw/zinc/01/97/45/557019745.db2.gz IABABZBSLXGFDL-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 IKEARN O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000032943460 557019756 /nfs/dbraw/zinc/01/97/56/557019756.db2.gz CJRJAFLKKHQNHP-UHFFFAOYSA-N 0 0 434.902 5.401 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1 ZINC000098021294 557029142 /nfs/dbraw/zinc/02/91/42/557029142.db2.gz BLVPXYUPLGJUBI-VWLOTQADSA-N 0 0 442.600 6.684 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1 ZINC000098021443 557029175 /nfs/dbraw/zinc/02/91/75/557029175.db2.gz RKCZPVBTPGZZOU-XMMPIXPASA-N 0 0 428.573 6.293 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000098021564 557029411 /nfs/dbraw/zinc/02/94/11/557029411.db2.gz OJFRVMAIXBHSEZ-SANMLTNESA-N 0 0 438.637 6.853 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000098021563 557029594 /nfs/dbraw/zinc/02/95/94/557029594.db2.gz OJFRVMAIXBHSEZ-AREMUKBSSA-N 0 0 438.637 6.853 50 30 IKEARN C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccoc1C ZINC000032946271 557030843 /nfs/dbraw/zinc/03/08/43/557030843.db2.gz KFXLDPURZGAPTH-OAHLLOKOSA-N 0 0 440.594 5.042 50 30 IKEARN CCCCCCCOc1ccc(-c2noc(-c3ccc(CCCCCCC)cc3)n2)cc1 ZINC000098044769 557046029 /nfs/dbraw/zinc/04/60/29/557046029.db2.gz ZIYBYCXHOMGSPQ-UHFFFAOYSA-N 0 0 434.624 8.266 50 30 IKEARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)COC(=O)c1ccc(Cl)cc1 ZINC000006147157 557046629 /nfs/dbraw/zinc/04/66/29/557046629.db2.gz YQXZMDREXDFLTM-HZHRSRAPSA-N 0 0 433.935 5.921 50 30 IKEARN C=CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271543 557049506 /nfs/dbraw/zinc/04/95/06/557049506.db2.gz GUTXDTFTBAZCKA-SFHVURJKSA-N 0 0 430.533 5.138 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000048262726 557049836 /nfs/dbraw/zinc/04/98/36/557049836.db2.gz IESRTXRJDRIXBD-PKNBQFBNSA-N 0 0 438.321 5.442 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3ccccc3SC)cc2-c2ccccc2S1(=O)=O ZINC000033271942 557050293 /nfs/dbraw/zinc/05/02/93/557050293.db2.gz CRDSFSINGXCDHP-UHFFFAOYSA-N 0 0 436.558 5.023 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3ccccc3C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000033271934 557050437 /nfs/dbraw/zinc/05/04/37/557050437.db2.gz ALVKECUAMFKAGC-UHFFFAOYSA-N 0 0 432.545 5.424 50 30 IKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000048252896 557052223 /nfs/dbraw/zinc/05/22/23/557052223.db2.gz FXBUEFUQARJESE-VMPITWQZSA-N 0 0 446.305 6.125 50 30 IKEARN N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)CC2)nc1 ZINC000048301368 557063032 /nfs/dbraw/zinc/06/30/32/557063032.db2.gz GCSBXATUNMEBSE-UHFFFAOYSA-N 0 0 430.939 5.056 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000033288744 557066119 /nfs/dbraw/zinc/06/61/19/557066119.db2.gz VZCGBAQSCIXZDI-CLFYSBASSA-N 0 0 436.364 5.369 50 30 IKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000023358612 557086978 /nfs/dbraw/zinc/08/69/78/557086978.db2.gz ZXYDPQJUMBBESA-ZEHKLFRWSA-N 0 0 441.600 6.641 50 30 IKEARN COc1ccccc1/C=C\C(=O)c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O ZINC000097359917 557087818 /nfs/dbraw/zinc/08/78/18/557087818.db2.gz DGBLIWLOEONNDJ-VKAVYKQESA-N 0 0 433.463 5.545 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321129 557106089 /nfs/dbraw/zinc/10/60/89/557106089.db2.gz IPAYWZFNFRISSR-MZNJEOGPSA-N 0 0 446.503 5.054 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1OC ZINC000033324897 557106918 /nfs/dbraw/zinc/10/69/18/557106918.db2.gz BRUBXGKOVGUKFP-WNSKOXEYSA-N 0 0 434.467 5.098 50 30 IKEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O ZINC000033324920 557106975 /nfs/dbraw/zinc/10/69/75/557106975.db2.gz FUGDOBUCZVYHSV-OYHNWAKOSA-N 0 0 436.895 5.309 50 30 IKEARN C=CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000100060906 557110951 /nfs/dbraw/zinc/11/09/51/557110951.db2.gz GCSOGIKNJZEHLY-ZEHKLFRWSA-N 0 0 441.600 6.764 50 30 IKEARN CCCCCCCCOc1c2ccsc2c(OCCCCCCCC)c2ccsc21 ZINC000100070458 557110987 /nfs/dbraw/zinc/11/09/87/557110987.db2.gz LWSGUMOETOXOHL-UHFFFAOYSA-N 0 0 446.722 9.595 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O ZINC000098086864 557122951 /nfs/dbraw/zinc/12/29/51/557122951.db2.gz LIGHNHBFIGLEST-SSDVNMTOSA-N 0 0 429.270 5.068 50 30 IKEARN Cc1c(/C=C2\S/C(=N\c3ccc(Br)cc3C)NC2=O)c2ccccc2n1C ZINC000033347729 557122981 /nfs/dbraw/zinc/12/29/81/557122981.db2.gz DBVAMRSOMAHRCU-ODLFYWEKSA-N 0 0 440.366 5.449 50 30 IKEARN CCOc1ccc(/C=C2/S/C(=N\c3cc(Cl)ccc3OC)NC2=O)c2ccccc12 ZINC000033347737 557123011 /nfs/dbraw/zinc/12/30/11/557123011.db2.gz GZOSVDOXKZIIKG-CIAFOILYSA-N 0 0 438.936 5.792 50 30 IKEARN O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000033347590 557123021 /nfs/dbraw/zinc/12/30/21/557123021.db2.gz IUZVZCXMSWUNFC-RGVLZGJSSA-N 0 0 427.308 6.542 50 30 IKEARN COc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000017822021 557124548 /nfs/dbraw/zinc/12/45/48/557124548.db2.gz HFSFGVIBVDLEPX-RNIAWFEPSA-N 0 0 434.408 5.021 50 30 IKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793609 557126482 /nfs/dbraw/zinc/12/64/82/557126482.db2.gz FYDPMVYWMHCHNX-IBGZPJMESA-N 0 0 437.609 5.417 50 30 IKEARN CCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000017918282 557128688 /nfs/dbraw/zinc/12/86/88/557128688.db2.gz BZMWYDKERIYUOH-NLRVBDNBSA-N 0 0 432.593 6.222 50 30 IKEARN Cc1ccc(-c2csc3ncnc(N4CCN([C@@H](C#N)c5ccc(F)cc5)CC4)c23)cc1 ZINC000023983739 557129517 /nfs/dbraw/zinc/12/95/17/557129517.db2.gz XRKHPOPNBJWBCF-QFIPXVFZSA-N 0 0 443.551 5.193 50 30 IKEARN CCCCCCCCCCCCCCCCCCSCCNC(=O)Cc1ccccc1 ZINC000033354691 557130145 /nfs/dbraw/zinc/13/01/45/557130145.db2.gz GTDXAFUXWCTPPT-UHFFFAOYSA-N 0 0 447.773 8.340 50 30 IKEARN CCCCCCCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccccc1 ZINC000033354433 557130820 /nfs/dbraw/zinc/13/08/20/557130820.db2.gz CVNMVWYEEXXDLC-QHCPKHFHSA-N 0 0 427.610 5.622 50 30 biogenic IKEARN CC[C@@H](C)Oc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000000673078 557133510 /nfs/dbraw/zinc/13/35/10/557133510.db2.gz PNXJNSIYRDXNJQ-QUGAMOGWSA-N 0 0 432.564 6.027 50 30 IKEARN C=CCNc1nnc(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)s1 ZINC000011393321 557138943 /nfs/dbraw/zinc/13/89/43/557138943.db2.gz QPSNPBAMUXDUFU-UHFFFAOYSA-N 0 0 438.003 5.223 50 30 IKEARN Cc1ccc(-c2c(C#N)c(SCC(=O)NCc3ccccc3)nc3c2CCCC3)cc1 ZINC000000705938 557140047 /nfs/dbraw/zinc/14/00/47/557140047.db2.gz WLSPLIQEIJDMQZ-UHFFFAOYSA-N 0 0 427.573 5.216 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1c[nH]nc1-c1ccc(F)cc1 ZINC000000718234 557148880 /nfs/dbraw/zinc/14/88/80/557148880.db2.gz PDHZCNLVKYEUQO-DEOSSOPVSA-N 0 0 438.506 5.965 50 30 IKEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000016393636 557150752 /nfs/dbraw/zinc/15/07/52/557150752.db2.gz QBOBMTBXBZBAST-KOSHJBKYSA-N 0 0 441.556 5.143 50 30 IKEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000016393638 557150839 /nfs/dbraw/zinc/15/08/39/557150839.db2.gz QBOBMTBXBZBAST-MHECFPHRSA-N 0 0 441.556 5.143 50 30 IKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc3c2CCCC3)cc1 ZINC000000726281 557150809 /nfs/dbraw/zinc/15/08/09/557150809.db2.gz KAWAJSFDMRIBKZ-UHFFFAOYSA-N 0 0 429.545 5.238 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)C(I)(C(F)(F)F)C(F)(F)F ZINC000095707805 557159969 /nfs/dbraw/zinc/15/99/69/557159969.db2.gz PCOHEQOCJXXENZ-UHFFFAOYSA-N 0 0 445.944 5.118 50 30 IKEARN CCOC(=O)c1cnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(F)(F)F ZINC000095742542 557160618 /nfs/dbraw/zinc/16/06/18/557160618.db2.gz JSIZAKUZTAJZFA-UHFFFAOYSA-N 0 0 447.257 5.453 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@](C)(CC)OC3 ZINC000000751990 557168240 /nfs/dbraw/zinc/16/82/40/557168240.db2.gz JOIBVMCNLGRXAE-HSZRJFAPSA-N 0 0 442.606 5.365 50 30 IKEARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000000751971 557168263 /nfs/dbraw/zinc/16/82/63/557168263.db2.gz YFZFDLMPFJTDOG-VWLOTQADSA-N 0 0 430.529 5.127 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@](C)(CC)OC3 ZINC000000751989 557168273 /nfs/dbraw/zinc/16/82/73/557168273.db2.gz JOIBVMCNLGRXAE-QHCPKHFHSA-N 0 0 442.606 5.365 50 30 IKEARN Clc1cccc2c(C#Cc3ccccc3)c3c(Cl)cccc3c(C#Cc3ccccc3)c12 ZINC000002559800 557173353 /nfs/dbraw/zinc/17/33/53/557173353.db2.gz DCCXNTCSVXAHAN-UHFFFAOYSA-N 0 0 447.364 8.099 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cc2ccccc2o1 ZINC000009327742 557186575 /nfs/dbraw/zinc/18/65/75/557186575.db2.gz UNEXHPDHOVOIFP-UHFFFAOYSA-N 0 0 442.903 5.401 50 30 IKEARN O=C(Nc1cccnc1)C(N=Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000100843902 557191452 /nfs/dbraw/zinc/19/14/52/557191452.db2.gz MAQGGHLEDDUYAG-MIXAMLLLSA-N 0 0 446.816 5.043 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000100856196 557192688 /nfs/dbraw/zinc/19/26/88/557192688.db2.gz NZBVUBDPWGGZOS-PYCFMQQDSA-N 0 0 425.619 6.832 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000100856280 557192786 /nfs/dbraw/zinc/19/27/86/557192786.db2.gz KBHLWPHKHGBRGO-NKFKGCMQSA-N 0 0 439.646 6.827 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000100856154 557192792 /nfs/dbraw/zinc/19/27/92/557192792.db2.gz IYJHWIVRTSHFPC-XLNRJJMWSA-N 0 0 443.609 6.971 50 30 IKEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1c2ccccc2cc2ccccc21 ZINC000003174070 557192772 /nfs/dbraw/zinc/19/27/72/557192772.db2.gz VTLQNOGJAOMSJU-WKULSOCRSA-N 0 0 431.520 6.314 50 30 IKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000096281994 557193894 /nfs/dbraw/zinc/19/38/94/557193894.db2.gz FGHOWGGHHSKNPT-UHFFFAOYSA-N 0 0 445.338 5.935 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000100863961 557194741 /nfs/dbraw/zinc/19/47/41/557194741.db2.gz NJXMPBSODVQNTN-VWLOTQADSA-N 0 0 432.696 8.917 50 30 IKEARN C=CCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1cccc(Oc2ccccc2)c1 ZINC000100874232 557196772 /nfs/dbraw/zinc/19/67/72/557196772.db2.gz ONZMMZBKGVAQRJ-QPLCGJKRSA-N 0 0 444.512 5.209 50 30 IKEARN C=CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1cccc(Oc2ccccc2)c1 ZINC000100875045 557197054 /nfs/dbraw/zinc/19/70/54/557197054.db2.gz OFXBAEHIXKZWTK-QPLCGJKRSA-N 0 0 430.529 5.821 50 30 IKEARN CCCCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 ZINC000100884671 557198333 /nfs/dbraw/zinc/19/83/33/557198333.db2.gz UOGNPLXRAUFTIC-QUPMIFSKSA-N 0 0 435.608 7.292 50 30 IKEARN CCCCCCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000100910984 557200013 /nfs/dbraw/zinc/20/00/13/557200013.db2.gz XIJNPKLCLCFNPU-UHFFFAOYSA-N 0 0 439.599 8.128 50 30 IKEARN COc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc(Cl)c1OCCC(C)C ZINC000072235907 557200391 /nfs/dbraw/zinc/20/03/91/557200391.db2.gz KMLOOOLWAYPZGP-UHFFFAOYSA-N 0 0 438.858 5.499 50 30 IKEARN CCCCCCCc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2C3=O)cc1 ZINC000100916143 557201593 /nfs/dbraw/zinc/20/15/93/557201593.db2.gz RBRURJYFMIKWBI-XMMPIXPASA-N 0 0 430.573 5.793 50 30 IKEARN Cc1nnsc1/C(=N/c1ccc(Cl)cc1Cl)Sc1cccc(C(F)(F)F)c1 ZINC000100924253 557202338 /nfs/dbraw/zinc/20/23/38/557202338.db2.gz HVTAYTKCLRVPOM-KQWNVCNZSA-N 0 0 448.322 7.043 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 ZINC000096936325 557206559 /nfs/dbraw/zinc/20/65/59/557206559.db2.gz JQFLEOSSGQGCKX-BRBBDLJVSA-N 0 0 426.538 5.117 50 30 IKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 ZINC000011614478 557208864 /nfs/dbraw/zinc/20/88/64/557208864.db2.gz MZVIOITUYFESGZ-CRALJOFWSA-N 0 0 441.483 6.181 50 30 IKEARN Cc1ccc(/N=C2/S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000025558033 557214067 /nfs/dbraw/zinc/21/40/67/557214067.db2.gz CJVRVNXVLRVBKZ-UQRBVYKBSA-N 0 0 429.501 6.020 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc(Cl)cc4)c3c2C1 ZINC000025559736 557214472 /nfs/dbraw/zinc/21/44/72/557214472.db2.gz AMFYFSVVIFQCJF-NKZWWHGNSA-N 0 0 427.017 6.722 50 30 IKEARN COc1ccc(-c2csc(N(/N=C/c3ccc(F)cc3)c3ccccc3)n2)cc1OC ZINC000025560543 557214736 /nfs/dbraw/zinc/21/47/36/557214736.db2.gz UALKZGMNLYCEEH-CVKSISIWSA-N 0 0 433.508 6.139 50 30 IKEARN CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000023316044 557214745 /nfs/dbraw/zinc/21/47/45/557214745.db2.gz JUEYLDNZUUGORI-RUZDIDTESA-N 0 0 436.577 5.394 50 30 IKEARN Cc1cccc(C(=O)N[C@@H](NC(=S)N=C2CCCCCC2)C(Cl)(Cl)Cl)c1 ZINC000025579557 557216025 /nfs/dbraw/zinc/21/60/25/557216025.db2.gz ZTQKUTFMPHGORH-INIZCTEOSA-N 0 0 434.820 5.091 50 30 IKEARN CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000023317905 557216192 /nfs/dbraw/zinc/21/61/92/557216192.db2.gz JYLIWRGJNUBFLL-RUZDIDTESA-N 0 0 436.577 5.394 50 30 IKEARN O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)NC1CCCCC1)c1ccccc1 ZINC000025580392 557216293 /nfs/dbraw/zinc/21/62/93/557216293.db2.gz OHGMWFVOXWMEBJ-YZSQISJMSA-N 0 0 431.561 5.190 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cc(OC)ccc4OC)c3c2C1 ZINC000025580596 557216384 /nfs/dbraw/zinc/21/63/84/557216384.db2.gz BIQAKCCSGMCNET-WMMPRDMWSA-N 0 0 438.597 5.696 50 30 IKEARN O=C(Oc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000101068690 557221950 /nfs/dbraw/zinc/22/19/50/557221950.db2.gz ZKUISVOJZNRREC-XSFVSMFZSA-N 0 0 448.272 5.013 50 30 IKEARN Cc1cccc(NC(=O)/N=C2/C(=S)N(c3ccccc3)C(=O)N2c2cccc(C)c2)c1 ZINC000025693735 557222365 /nfs/dbraw/zinc/22/23/65/557222365.db2.gz YPPPMHIBSQUBAE-QLYXXIJNSA-N 0 0 428.517 5.708 50 30 IKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000101069935 557223715 /nfs/dbraw/zinc/22/37/15/557223715.db2.gz PYMUSMSFXJNWAN-MRJHHRETSA-N 0 0 448.316 5.384 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069917 557223760 /nfs/dbraw/zinc/22/37/60/557223760.db2.gz XPVJOZGNWYXKME-MRJHHRETSA-N 0 0 448.316 5.384 50 30 IKEARN CCN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000025761794 557224866 /nfs/dbraw/zinc/22/48/66/557224866.db2.gz PNRCZERKCUVEHU-BGPOSVGRSA-N 0 0 441.185 6.672 50 30 IKEARN O=S(=O)(N=C(Nc1ccccc1)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000018029416 557229105 /nfs/dbraw/zinc/22/91/05/557229105.db2.gz RCBDZQAGOUYLGE-UHFFFAOYSA-N 0 0 449.757 5.350 50 30 IKEARN CCCCCCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000097950515 557230267 /nfs/dbraw/zinc/23/02/67/557230267.db2.gz GRJXUKQRXKLANL-UHFFFAOYSA-N 0 0 449.020 5.120 50 30 IKEARN C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2ccccc21 ZINC000011650458 557231200 /nfs/dbraw/zinc/23/12/00/557231200.db2.gz IRMMBFJBZZAZOX-UHFFFAOYSA-N 0 0 448.617 6.273 50 30 IKEARN CCCCCCCCCC(=O)NCc1ccc(-c2ccc(OC)c(C)c2)c2ccncc12 ZINC000098020143 557232231 /nfs/dbraw/zinc/23/22/31/557232231.db2.gz BJBIWCXKBWTZSD-UHFFFAOYSA-N 0 0 432.608 6.976 50 30 biogenic IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2C)c1 ZINC000098021415 557232243 /nfs/dbraw/zinc/23/22/43/557232243.db2.gz AHUKAYBNSUTHKY-AREMUKBSSA-N 0 0 438.637 6.771 50 30 IKEARN CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1 ZINC000098071569 557233050 /nfs/dbraw/zinc/23/30/50/557233050.db2.gz YJUHXJQZJUQYJJ-UHFFFAOYSA-N 0 0 428.347 7.130 50 30 IKEARN Cc1ccc2nc(-c3cc(/N=C\c4ccc(Cl)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000018100568 557236656 /nfs/dbraw/zinc/23/66/56/557236656.db2.gz HWCOOOIOZRSEPR-MYKKPKGFSA-N 0 0 426.259 6.769 50 30 IKEARN CCc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950870 557238076 /nfs/dbraw/zinc/23/80/76/557238076.db2.gz ZGBOZDMUWYNQEO-UHFFFAOYSA-N 0 0 441.911 5.691 50 30 IKEARN CCCCCCCOc1ccc(CNc2ccc(OCCCc3ccccc3)cc2)cc1 ZINC000100036644 557238375 /nfs/dbraw/zinc/23/83/75/557238375.db2.gz VVODEWHIBZDFEB-UHFFFAOYSA-N 0 0 431.620 7.660 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000100037904 557238492 /nfs/dbraw/zinc/23/84/92/557238492.db2.gz DBRDMFBDSAYYGH-QHCPKHFHSA-N 0 0 446.635 8.242 50 30 IKEARN O=C1/C(=C\c2ccc(N3CCCCC3)cc2)S/C(=N/c2ccccc2)N1Cc1ccco1 ZINC000018121051 557238565 /nfs/dbraw/zinc/23/85/65/557238565.db2.gz GVSWZUGWKHMTRH-CFEZCKOSSA-N 0 0 443.572 6.074 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOc1cccc(OC)c1 ZINC000100049841 557238868 /nfs/dbraw/zinc/23/88/68/557238868.db2.gz JCGFVNXZEIXNEL-UHFFFAOYSA-N 0 0 433.677 7.452 50 30 biogenic IKEARN CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC ZINC000100072717 557239957 /nfs/dbraw/zinc/23/99/57/557239957.db2.gz HCQHIEGYGGJLJU-UHFFFAOYSA-N 0 0 426.682 7.915 50 30 IKEARN Cc1oc(-c2ccccc2)nc1CSc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N ZINC000024928549 557246389 /nfs/dbraw/zinc/24/63/89/557246389.db2.gz QTFRORHGXYNVHK-UHFFFAOYSA-N 0 0 440.528 5.770 50 30 IKEARN O=C(Nc1ccccc1)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CCCC2 ZINC000018194005 557247344 /nfs/dbraw/zinc/24/73/44/557247344.db2.gz XAQFJZCPHCWWDZ-JVWAILMASA-N 0 0 426.541 6.489 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000018196062 557248011 /nfs/dbraw/zinc/24/80/11/557248011.db2.gz OAQLJFMJSUJXHE-GOSISDBHSA-N 0 0 426.303 5.037 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196825 557248316 /nfs/dbraw/zinc/24/83/16/557248316.db2.gz HMFASLZNPOGAOM-AREMUKBSSA-N 0 0 425.484 5.559 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@H]2c1cccs1 ZINC000018196869 557248333 /nfs/dbraw/zinc/24/83/33/557248333.db2.gz SQACQJKZINATSO-LHSJRXKWSA-N 0 0 445.569 5.247 50 30 IKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000018197155 557248814 /nfs/dbraw/zinc/24/88/14/557248814.db2.gz KIAOTBPHMURIHE-HHHXNRCGSA-N 0 0 441.527 5.847 50 30 IKEARN COc1cc2c(c(OC)c1)[C@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 ZINC000018199343 557251199 /nfs/dbraw/zinc/25/11/99/557251199.db2.gz IWUHSSUOZXNABM-LJQANCHMSA-N 0 0 432.289 5.170 50 30 IKEARN CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 ZINC000018206264 557251853 /nfs/dbraw/zinc/25/18/53/557251853.db2.gz NLFNSWMTPUMXMU-UHFFFAOYSA-N 0 0 443.601 5.400 50 30 IKEARN C=CCOc1ccc(/C=C(/C(=O)c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 ZINC000027017210 557254239 /nfs/dbraw/zinc/25/42/39/557254239.db2.gz CEJQCDWBMMEZFJ-NKFKGCMQSA-N 0 0 425.484 6.215 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000018254417 557254331 /nfs/dbraw/zinc/25/43/31/557254331.db2.gz USRVMCCQMYGPRS-SANMLTNESA-N 0 0 430.592 6.537 50 30 IKEARN CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 ZINC000100259712 557255995 /nfs/dbraw/zinc/25/59/95/557255995.db2.gz XCYWWJXXNPXLAA-ZOVWXIRQSA-N 0 0 446.956 5.467 50 30 IKEARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000100260098 557256065 /nfs/dbraw/zinc/25/60/65/557256065.db2.gz RGESGHJANGBKBU-GOESLVMASA-N 0 0 449.551 5.866 50 30 IKEARN CC/N=C1\S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC ZINC000100251477 557256076 /nfs/dbraw/zinc/25/60/76/557256076.db2.gz VZESTVTXFIMOOI-FTTVTTNZSA-N 0 0 438.622 5.218 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2cccc(OC)c2)cc1 ZINC000100284722 557256548 /nfs/dbraw/zinc/25/65/48/557256548.db2.gz LYYLPKJZWHSBKW-UHFFFAOYSA-N 0 0 442.600 6.415 50 30 IKEARN O=C1ON=C(c2ccccc2)/C1=C1\c2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O ZINC000100288109 557256909 /nfs/dbraw/zinc/25/69/09/557256909.db2.gz CGCGMPNYGSGUBN-MRCUWXFGSA-N 0 0 449.293 5.255 50 30 IKEARN C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 ZINC000027229338 557258835 /nfs/dbraw/zinc/25/88/35/557258835.db2.gz XZZREPGMDDOHPE-LICLKQGHSA-N 0 0 438.858 5.815 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccco1 ZINC000100487594 557261951 /nfs/dbraw/zinc/26/19/51/557261951.db2.gz XVNQCDWPODPSOG-UDJHQSBFSA-N 0 0 432.479 5.317 50 30 IKEARN CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\c2ccccc2Cl)N(CC)C1=O ZINC000100496798 557262263 /nfs/dbraw/zinc/26/22/63/557262263.db2.gz BISOAEKHCGVFAS-FFRBQNJWSA-N 0 0 442.009 6.280 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccccc2I)cc1)c1ccccc1 ZINC000100499558 557262377 /nfs/dbraw/zinc/26/23/77/557262377.db2.gz XWSBGEZRVXYYSH-HYARGMPZSA-N 0 0 427.241 5.261 50 30 IKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4Br)OCO5)c3C)nc2c1 ZINC000100502236 557262688 /nfs/dbraw/zinc/26/26/88/557262688.db2.gz YCAWLUWDXCXSTB-OPEKNORGSA-N 0 0 449.304 6.353 50 30 IKEARN Cc1ccc2oc(-c3cccc(/N=C/c4ccc(OC(=O)c5ccco5)cc4)c3C)nc2c1 ZINC000100502246 557262815 /nfs/dbraw/zinc/26/28/15/557262815.db2.gz LJEOQQZUIRIEJU-LQKURTRISA-N 0 0 436.467 6.674 50 30 IKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000100508735 557262973 /nfs/dbraw/zinc/26/29/73/557262973.db2.gz HSSKSTDPRUHTLN-YSURURNPSA-N 0 0 435.823 5.844 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000100507151 557262980 /nfs/dbraw/zinc/26/29/80/557262980.db2.gz DOXSPKCVVIJEHS-BHGWPJFGSA-N 0 0 441.256 5.861 50 30 IKEARN O=C1c2cc(Br)ccc2N/C1=C1/Sc2c(ccc3cccc(Cl)c23)C1=O ZINC000100524362 557263299 /nfs/dbraw/zinc/26/32/99/557263299.db2.gz MJURASYNFLAELQ-CAPFRKAQSA-N 0 0 442.721 6.064 50 30 IKEARN CCN(CC)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(CC)CC)cc2)cc1 ZINC000100543536 557263978 /nfs/dbraw/zinc/26/39/78/557263978.db2.gz STLPZBKWRGUEFT-VFIVCBTMSA-N 0 0 426.608 6.880 50 30 IKEARN COc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c(OC)c1 ZINC000027533676 557264412 /nfs/dbraw/zinc/26/44/12/557264412.db2.gz GRGJAQWAZGWUTR-FRKPEAEDSA-N 0 0 442.846 5.268 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F ZINC000100557875 557264601 /nfs/dbraw/zinc/26/46/01/557264601.db2.gz MWMIJAWLJKOUTF-BVZFJXPGSA-N 0 0 449.522 5.149 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1OC(F)F ZINC000101284796 557267685 /nfs/dbraw/zinc/26/76/85/557267685.db2.gz SZGZIWUUEJACFQ-IBGZPJMESA-N 0 0 434.487 5.072 50 30 IKEARN CCCCCCCCCCCCSC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000100659885 557268814 /nfs/dbraw/zinc/26/88/14/557268814.db2.gz LCOXIBFUFALKBG-HSZRJFAPSA-N 0 0 425.682 7.810 50 30 IKEARN C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100685932 557269314 /nfs/dbraw/zinc/26/93/14/557269314.db2.gz GTMJEAVXRNJUAA-RXVVDRJESA-N 0 0 429.383 5.193 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000828259 557271692 /nfs/dbraw/zinc/27/16/92/557271692.db2.gz AIBNFGHSFKHUIF-UHFFFAOYSA-N 0 0 440.536 5.113 50 30 IKEARN Cc1cccc(CSc2nnc(NC(=O)c3sc4cc(F)ccc4c3Cl)s2)c1 ZINC000027750323 557273220 /nfs/dbraw/zinc/27/32/20/557273220.db2.gz ZTWKAANCWFXYGD-UHFFFAOYSA-N 0 0 449.985 6.782 50 30 IKEARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000011024168 557273410 /nfs/dbraw/zinc/27/34/10/557273410.db2.gz BDWARKGJTKUSIN-QGZVFWFLSA-N 0 0 429.611 5.233 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)CCCC/C1=C/c1ccc(Cl)cc1Cl ZINC000008441186 557276384 /nfs/dbraw/zinc/27/63/84/557276384.db2.gz RVCZFIMQQWQFTP-CKOAPEAFSA-N 0 0 426.170 7.910 50 30 IKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1 ZINC000100813122 557276433 /nfs/dbraw/zinc/27/64/33/557276433.db2.gz DIZHCZLDWLNOBR-UHFFFAOYSA-N 0 0 426.667 6.037 50 30 IKEARN O=c1c(C=[NH+]Cc2ccc(F)cc2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000008450403 557276467 /nfs/dbraw/zinc/27/64/67/557276467.db2.gz OGVRCBSKAMIRPR-CVKSISIWSA-N 0 0 428.492 5.201 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(OC)cc2)s/c1=N\c1ccccc1 ZINC000101360697 557276551 /nfs/dbraw/zinc/27/65/51/557276551.db2.gz LMFCZCOORQASEX-RQZHXJHFSA-N 0 0 441.556 5.896 50 30 IKEARN N#Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000014008762 557277117 /nfs/dbraw/zinc/27/71/17/557277117.db2.gz AVOKFHIXUBSAEN-HMAPJEAMSA-N 0 0 428.538 5.543 50 30 IKEARN COc1ccc(OC)c(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 ZINC000101092720 557282723 /nfs/dbraw/zinc/28/27/23/557282723.db2.gz MHRVDDOKIRWUKH-UHFFFAOYSA-N 0 0 425.406 5.899 50 30 IKEARN O=C1c2ccccc2C(=O)C1=C1c2ccccc2C(=O)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000101515431 557290743 /nfs/dbraw/zinc/29/07/43/557290743.db2.gz XZEIYLAQNGFBPY-MHZLTWQESA-N 0 0 440.498 6.164 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000101696063 557293977 /nfs/dbraw/zinc/29/39/77/557293977.db2.gz FFBCYWJTOBHJQY-JWMLTMDESA-N 0 0 432.545 5.349 50 30 IKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 ZINC000033382987 557295465 /nfs/dbraw/zinc/29/54/65/557295465.db2.gz YRGLKFYABDJLHS-OTPAQWSUSA-N 0 0 426.626 7.026 50 30 IKEARN CCCCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 ZINC000102079633 557298541 /nfs/dbraw/zinc/29/85/41/557298541.db2.gz WLADNDBIQLEBIM-UHFFFAOYSA-N 0 0 438.011 8.161 50 30 IKEARN C[C@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000102625462 557304159 /nfs/dbraw/zinc/30/41/59/557304159.db2.gz QHSOFLQDNNTTDE-XRFYJGMOSA-N 0 0 430.460 6.081 50 30 IKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2sccc2C)CCC3)c(OC)c1 ZINC000101892741 557306000 /nfs/dbraw/zinc/30/60/00/557306000.db2.gz ODRMOBITXDUGII-FSJBWODESA-N 0 0 426.563 5.627 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccccc2OC[C@H](C)COc2ccccc2)SC1=S ZINC000002847972 557312577 /nfs/dbraw/zinc/31/25/77/557312577.db2.gz JQZSDQWCPXHKOE-AQRZYSDFSA-N 0 0 425.575 5.168 50 30 IKEARN C=CCOc1c(Br)cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC ZINC000002850099 557313324 /nfs/dbraw/zinc/31/33/24/557313324.db2.gz WARDWQJBJWWNRL-YBEGLDIGSA-N 0 0 448.700 5.020 50 30 IKEARN C=CCC(CC=C)(C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 ZINC000002861158 557313766 /nfs/dbraw/zinc/31/37/66/557313766.db2.gz FQQSZVBBELZDLK-UHFFFAOYSA-N 0 0 428.507 6.107 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2ccc3c(c2)OCCCO3)c1C#N ZINC000014182049 557313875 /nfs/dbraw/zinc/31/38/75/557313875.db2.gz AQRINOOOYQNOLD-UHFFFAOYSA-N 0 0 439.581 5.374 50 30 IKEARN Cc1cc2c(c(C)c1)NC(=O)/C2=C1\S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000103358393 557314701 /nfs/dbraw/zinc/31/47/01/557314701.db2.gz CWAFIWKLHMDAAM-RMPMBVSISA-N 0 0 425.513 5.434 50 30 IKEARN Cc1cccc(N=C2C=C(NS(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3C2=O)c1 ZINC000103321578 557314716 /nfs/dbraw/zinc/31/47/16/557314716.db2.gz HSIDQRIZCQLRKF-NFFVHWSESA-N 0 0 444.556 5.291 50 30 IKEARN COc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccc(Cl)cc2)cc1 ZINC000100117587 557314940 /nfs/dbraw/zinc/31/49/40/557314940.db2.gz IUDYNTLFXDEGGH-AAOMCQSUSA-N 0 0 444.962 6.304 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000002874008 557315883 /nfs/dbraw/zinc/31/58/83/557315883.db2.gz KHIMYIYBAKULBV-QGZVFWFLSA-N 0 0 427.327 5.082 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2cc(C)ccc2C)c1C ZINC000032971556 557319466 /nfs/dbraw/zinc/31/94/66/557319466.db2.gz AFDPAPKTDHBEDZ-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000003105260 557319498 /nfs/dbraw/zinc/31/94/98/557319498.db2.gz HCNLFCHZAUIJTI-BLCKFSMSSA-N 0 0 433.555 6.699 50 30 IKEARN COc1ccc(Br)c(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1 ZINC000033348327 557333799 /nfs/dbraw/zinc/33/37/99/557333799.db2.gz YPZAXSICXQQUND-LZYBPNLTSA-N 0 0 437.746 5.311 50 30 IKEARN COc1cc(C(=O)/C(=C\c2ccccc2F)c2nc3ccccc3o2)cc(OC)c1OC ZINC000033399735 557333928 /nfs/dbraw/zinc/33/39/28/557333928.db2.gz DWZYPQBSDMJMFJ-SFQUDFHCSA-N 0 0 433.435 5.416 50 30 IKEARN CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)C[C@@H](c2ccccc2)CC1=O ZINC000100140346 557333932 /nfs/dbraw/zinc/33/39/32/557333932.db2.gz RBAJGAYYGOVLAB-JOCHJYFZSA-N 0 0 449.591 5.386 50 30 IKEARN CCCC(NCCc1c(C)[nH]c2ccc(C)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140060 557333952 /nfs/dbraw/zinc/33/39/52/557333952.db2.gz ZTIMZMDSEBPSSU-UHFFFAOYSA-N 0 0 428.576 5.687 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102495658 557335703 /nfs/dbraw/zinc/33/57/03/557335703.db2.gz NWZPFVLGNMYBSF-JBCNATCCSA-N 0 0 426.497 5.231 50 30 IKEARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000014361077 557336257 /nfs/dbraw/zinc/33/62/57/557336257.db2.gz JPRAHKPNPIIFKS-DEOSSOPVSA-N 0 0 445.994 6.696 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102507225 557339908 /nfs/dbraw/zinc/33/99/08/557339908.db2.gz XXNYGLZRWUNMGI-JBCNATCCSA-N 0 0 444.487 5.370 50 30 IKEARN CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)N(CCCC)C1=O ZINC000100167841 557340074 /nfs/dbraw/zinc/34/00/74/557340074.db2.gz KNEACJZTYDHWJP-JZJYNLBNSA-N 0 0 448.007 5.896 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102535539 557344898 /nfs/dbraw/zinc/34/48/98/557344898.db2.gz YFTNJXYEULJUHS-LFVOPCPISA-N 0 0 438.936 5.348 50 30 IKEARN CCCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176686 557347697 /nfs/dbraw/zinc/34/76/97/557347697.db2.gz OISFIYRYEARUJD-AJBULDERSA-N 0 0 437.974 7.898 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)cc1Br ZINC000003113097 557347932 /nfs/dbraw/zinc/34/79/32/557347932.db2.gz KLHYVGFVWZWSOR-WYMPLXKRSA-N 0 0 425.257 6.156 50 30 IKEARN C=CCN1C(=O)/C(=C\C(=O)N[C@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21 ZINC000023335631 557348248 /nfs/dbraw/zinc/34/82/48/557348248.db2.gz ICRVXRARNJZVFP-UDXHRHDRSA-N 0 0 440.568 5.295 50 30 IKEARN C=CCCC(=O)Nc1c2ccn(Cc3ccccc3F)c2ccc1OC(=O)N(CC)CC ZINC000023334820 557349716 /nfs/dbraw/zinc/34/97/16/557349716.db2.gz KIOVSTGASMKQHF-UHFFFAOYSA-N 0 0 437.515 5.574 50 30 IKEARN Cc1ccc(-c2ccc(CCC(=O)N3CCC(C)CC3)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023427993 557353949 /nfs/dbraw/zinc/35/39/49/557353949.db2.gz JBSDOPJHZJBITD-UHFFFAOYSA-N 0 0 439.603 6.018 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000102527640 557354106 /nfs/dbraw/zinc/35/41/06/557354106.db2.gz YLYSEOKMGHQHQR-WOOAAIBNSA-N 0 0 432.526 5.293 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000102580581 557355474 /nfs/dbraw/zinc/35/54/74/557355474.db2.gz BIGUSMGZIZKJAE-ZHHPLPSFSA-N 0 0 431.919 6.090 50 30 IKEARN CCCCCCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000102560364 557358917 /nfs/dbraw/zinc/35/89/17/557358917.db2.gz PHLZTCZCSPTVNT-AREMUKBSSA-N 0 0 431.580 5.498 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)cc2)cc1 ZINC000023460113 557360319 /nfs/dbraw/zinc/36/03/19/557360319.db2.gz ZPMNDTWYXYWOHM-UHFFFAOYSA-N 0 0 433.467 5.311 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102649420 557361300 /nfs/dbraw/zinc/36/13/00/557361300.db2.gz MZSMBVNVHXRFAN-LQQVSHDKSA-N 0 0 439.939 5.064 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102649422 557361374 /nfs/dbraw/zinc/36/13/74/557361374.db2.gz MZSMBVNVHXRFAN-RXTQHAMCSA-N 0 0 439.939 5.064 50 30 IKEARN CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(OC)c(Cl)c4)CC3)c2c1 ZINC000044167768 557365293 /nfs/dbraw/zinc/36/52/93/557365293.db2.gz WIZIXVXOYMJSHX-UHFFFAOYSA-N 0 0 448.954 5.186 50 30 IKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102705130 557366021 /nfs/dbraw/zinc/36/60/21/557366021.db2.gz ILMUDAQOQIFPLP-AYWGPLOBSA-N 0 0 442.515 5.014 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102706633 557366907 /nfs/dbraw/zinc/36/69/07/557366907.db2.gz DHLXSACORIPVNB-HOGKFDNTSA-N 0 0 430.504 5.215 50 30 IKEARN CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(CCCC)cc3)S2)cc1 ZINC000011690589 557369840 /nfs/dbraw/zinc/36/98/40/557369840.db2.gz USEAFHQMBMCKAE-HXTHCWADSA-N 0 0 437.609 5.372 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000102735451 557373252 /nfs/dbraw/zinc/37/32/52/557373252.db2.gz ODMCDKCDPHGAPK-NHFXJNLRSA-N 0 0 430.485 5.078 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S ZINC000033921522 557384212 /nfs/dbraw/zinc/38/42/12/557384212.db2.gz WMGSTBDVSJYDJA-MOSHPQCFSA-N 0 0 445.993 5.705 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102803089 557385498 /nfs/dbraw/zinc/38/54/98/557385498.db2.gz XINCQOIJQABJQG-AYWGPLOBSA-N 0 0 447.918 5.673 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102797494 557389055 /nfs/dbraw/zinc/38/90/55/557389055.db2.gz RTVNIEMZFPPXBH-MRJHHRETSA-N 0 0 432.545 5.063 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102801313 557390887 /nfs/dbraw/zinc/39/08/87/557390887.db2.gz MCFRKMOPESMPQG-MOBKVPTQSA-N 0 0 431.875 5.169 50 30 IKEARN CN(C)C=NC(=O)[C@@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000100256124 557396024 /nfs/dbraw/zinc/39/60/24/557396024.db2.gz HYVHLYUDGMAOET-QYJQOTDOSA-N 0 0 439.342 5.473 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102874860 557396518 /nfs/dbraw/zinc/39/65/18/557396518.db2.gz RWZHOZJUQOQWQP-NHFXJNLRSA-N 0 0 439.298 5.010 50 30 IKEARN COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000100298090 557398612 /nfs/dbraw/zinc/39/86/12/557398612.db2.gz YNYOPHJNYDOHFX-JWMLTMDESA-N 0 0 430.529 5.074 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102858056 557399186 /nfs/dbraw/zinc/39/91/86/557399186.db2.gz ORDFAXRQDNMFJA-YDJIHCHBSA-N 0 0 442.298 5.517 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102858975 557399407 /nfs/dbraw/zinc/39/94/07/557399407.db2.gz CGUGPNGMUCWTCC-JBCNATCCSA-N 0 0 444.487 5.370 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000004872147 557399838 /nfs/dbraw/zinc/39/98/38/557399838.db2.gz AGIIGYPVATZIIW-MLKPGFSBSA-N 0 0 444.604 5.540 50 30 IKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 ZINC000100342996 557400495 /nfs/dbraw/zinc/40/04/95/557400495.db2.gz IPUYFPMFIOIFJD-XAJMEMKASA-N 0 0 425.484 5.186 50 30 biogenic IKEARN N#Cc1c(C=CNc2ccc(Cl)cc2Cl)onc1-c1c(Cl)cccc1Cl ZINC000100394441 557401504 /nfs/dbraw/zinc/40/15/04/557401504.db2.gz LGQUPVFWRHJHCB-VOTSOKGWSA-N 0 0 425.102 6.910 50 30 IKEARN C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)s/c1=N/c1ccc(C)cc1 ZINC000100380032 557401558 /nfs/dbraw/zinc/40/15/58/557401558.db2.gz XJRXRAPMVHSRBZ-CYYJNZCTSA-N 0 0 428.626 7.332 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102862250 557402895 /nfs/dbraw/zinc/40/28/95/557402895.db2.gz IUMNLIPDPAHJGZ-ZHHPLPSFSA-N 0 0 431.488 5.034 50 30 IKEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc([C@H](C)CC)cc2)CC1=O ZINC000004910501 557403609 /nfs/dbraw/zinc/40/36/09/557403609.db2.gz JFCBJJQXBQGVQF-IRLDBZIGSA-N 0 0 431.580 5.521 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000102864340 557403959 /nfs/dbraw/zinc/40/39/59/557403959.db2.gz ZUYXSMSVFBPRLK-JBCNATCCSA-N 0 0 444.487 5.370 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)sc1C ZINC000102864503 557403996 /nfs/dbraw/zinc/40/39/96/557403996.db2.gz CTHXWBFZDBUQQK-WOOAAIBNSA-N 0 0 438.936 5.348 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccccc1 ZINC000102866509 557404356 /nfs/dbraw/zinc/40/43/56/557404356.db2.gz SBBXHXHFEBWASW-NHFXJNLRSA-N 0 0 430.460 5.062 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000102879548 557407276 /nfs/dbraw/zinc/40/72/76/557407276.db2.gz QBAIHOWWWJMBPH-IUKMQXEJSA-N 0 0 448.478 5.500 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000102879550 557407372 /nfs/dbraw/zinc/40/73/72/557407372.db2.gz QBAIHOWWWJMBPH-NPJIAGGLSA-N 0 0 448.478 5.500 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)o1 ZINC000102882429 557408386 /nfs/dbraw/zinc/40/83/86/557408386.db2.gz JXSVYLLCVNFEBG-OBVHCKHUSA-N 0 0 444.512 5.441 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000102882309 557408474 /nfs/dbraw/zinc/40/84/74/557408474.db2.gz RNPXVCHPKMMSBO-NYHFZMIOSA-N 0 0 427.887 6.469 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000102927744 557410395 /nfs/dbraw/zinc/41/03/95/557410395.db2.gz XFPDXDFVYXJGAY-JBCNATCCSA-N 0 0 446.572 5.684 50 30 IKEARN COc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000100494627 557410600 /nfs/dbraw/zinc/41/06/00/557410600.db2.gz SSNRMSCFXPROTC-CZYCKNNWSA-N 0 0 436.511 6.997 50 30 IKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl ZINC000033558083 557410880 /nfs/dbraw/zinc/41/08/80/557410880.db2.gz AYRZFHJNKMIXRS-URYZVYFESA-N 0 0 429.903 5.518 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000033554778 557411183 /nfs/dbraw/zinc/41/11/83/557411183.db2.gz YXTPEHBSPSFMKJ-YTFSRNRJSA-N 0 0 425.488 5.171 50 30 IKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc(Br)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000102960489 557413314 /nfs/dbraw/zinc/41/33/14/557413314.db2.gz NJYDEZOSBWRDCZ-BJKOFHAPSA-N 0 0 446.348 5.874 50 30 IKEARN O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)cc1 ZINC000033587656 557414504 /nfs/dbraw/zinc/41/45/04/557414504.db2.gz MRPWWQUBTFOASD-NTMALXAHSA-N 0 0 428.315 5.986 50 30 IKEARN CCCCCCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000102996002 557414743 /nfs/dbraw/zinc/41/47/43/557414743.db2.gz QOIDQVPCPJEQQT-GOSISDBHSA-N 0 0 449.020 5.539 50 30 IKEARN CCCCCCCCCC(=O)N(CCC)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000102997669 557415126 /nfs/dbraw/zinc/41/51/26/557415126.db2.gz XQNPDQUBRQXZFV-UHFFFAOYSA-N 0 0 440.628 6.188 50 30 IKEARN CCCCCCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(C)C ZINC000102999490 557415148 /nfs/dbraw/zinc/41/51/48/557415148.db2.gz NWIFMEOQQSVYJM-UHFFFAOYSA-N 0 0 439.662 6.073 50 30 IKEARN CCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC ZINC000102992759 557415672 /nfs/dbraw/zinc/41/56/72/557415672.db2.gz VMKWGLNLSUTWAM-OXQOHEQNSA-N 0 0 446.617 5.044 50 30 IKEARN CCCCCCCC(=O)Nc1cc(-c2onc3c2CCc2cc(OC)ccc2-3)ccc1C ZINC000102993416 557415704 /nfs/dbraw/zinc/41/57/04/557415704.db2.gz JDSIFGBCMOAXIF-UHFFFAOYSA-N 0 0 432.564 6.723 50 30 IKEARN CCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1 ZINC000102993698 557416066 /nfs/dbraw/zinc/41/60/66/557416066.db2.gz ZPFRNWYPIJAYMS-QHCPKHFHSA-N 0 0 443.588 5.299 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000104155754 557451221 /nfs/dbraw/zinc/45/12/21/557451221.db2.gz JZRVPEZFYKMXSK-MHECFPHRSA-N 0 0 437.926 6.876 50 30 IKEARN CCCCCCCCCCOC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000100031781 557454118 /nfs/dbraw/zinc/45/41/18/557454118.db2.gz AVOAULNYWBPMPB-UHFFFAOYSA-N 0 0 443.500 6.544 50 30 IKEARN CCOc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000016675963 557475161 /nfs/dbraw/zinc/47/51/61/557475161.db2.gz QXRCGNPMXFPVBT-SSGMYWTASA-N 0 0 447.966 5.506 50 30 IKEARN CCOc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000016675961 557475224 /nfs/dbraw/zinc/47/52/24/557475224.db2.gz QXRCGNPMXFPVBT-UIZNLQPJSA-N 0 0 447.966 5.506 50 30 IKEARN C=CCN(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 ZINC000018352690 557497448 /nfs/dbraw/zinc/49/74/48/557497448.db2.gz WSZBBUZISWWIJL-UHFFFAOYSA-N 0 0 446.601 5.366 50 30 IKEARN O=C(c1cccc(Cl)c1)N(/C=C1\Sc2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000003166144 557531664 /nfs/dbraw/zinc/53/16/64/557531664.db2.gz SCGKBQVRUNOTFJ-MOSHPQCFSA-N 0 0 426.324 6.470 50 30 IKEARN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1 ZINC000106920947 557533321 /nfs/dbraw/zinc/53/33/21/557533321.db2.gz QBXBEBVLSQZLFW-JWQCQUIFSA-N 0 0 444.604 5.716 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2C)c1 ZINC000044858752 557537936 /nfs/dbraw/zinc/53/79/36/557537936.db2.gz CTQHTDAGXNQTDA-XMMPIXPASA-N 0 0 440.547 5.410 50 30 IKEARN Cc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccccc3)cnn21 ZINC000044858690 557537942 /nfs/dbraw/zinc/53/79/42/557537942.db2.gz VBWCYYYQVWBYBQ-QHCPKHFHSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2)cc1 ZINC000044858798 557537975 /nfs/dbraw/zinc/53/79/75/557537975.db2.gz VGYLRCWJVYHHDT-HSZRJFAPSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CC(C)(C)CC(=O)C1[C@H]2c1ccccc1 ZINC000044858896 557538055 /nfs/dbraw/zinc/53/80/55/557538055.db2.gz IYEXEVVZDYNOHH-HSZRJFAPSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 ZINC000044858875 557538099 /nfs/dbraw/zinc/53/80/99/557538099.db2.gz SBCWZBATADVKQB-XMMPIXPASA-N 0 0 440.547 5.410 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000044858950 557538341 /nfs/dbraw/zinc/53/83/41/557538341.db2.gz VBPPTAHUTKQBRZ-JOCHJYFZSA-N 0 0 448.473 5.072 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000044859253 557538445 /nfs/dbraw/zinc/53/84/45/557538445.db2.gz NOCIDEHBIOFWPP-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CCC/C2=C\c1ccccc1 ZINC000108355126 557542535 /nfs/dbraw/zinc/54/25/35/557542535.db2.gz ZKZWLOXJLTVFIC-NCELDCMTSA-N 0 0 444.603 7.789 50 30 IKEARN CCOc1ccccc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1 ZINC000045939473 557548424 /nfs/dbraw/zinc/54/84/24/557548424.db2.gz OARIYXWYAWXVSF-UHFFFAOYSA-N 0 0 430.552 5.176 50 30 IKEARN Cc1cc(C)cc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C(F)(F)F)c2)c1 ZINC000045940445 557548885 /nfs/dbraw/zinc/54/88/85/557548885.db2.gz KPSDNQGREQSPEE-UHFFFAOYSA-N 0 0 426.442 5.115 50 30 IKEARN CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(CC)c2)cc1 ZINC000045940663 557549085 /nfs/dbraw/zinc/54/90/85/557549085.db2.gz PMPJFNZVZZZENT-UHFFFAOYSA-N 0 0 430.552 5.221 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000038263478 557568755 /nfs/dbraw/zinc/56/87/55/557568755.db2.gz FELCJAPFJOPHSD-VUFVRDRTSA-N 0 0 440.712 7.204 50 30 biogenic IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000014979695 557607803 /nfs/dbraw/zinc/60/78/03/557607803.db2.gz LCQKHZYXPCLVBI-KTKRTIGZSA-N 0 0 440.672 7.570 50 30 in-vitro IKEARN C#CCOc1ccc(Br)cc1C=C1SC(Nc2ccc(C)c(C)c2)=NC1=O ZINC000002972705 557652832 /nfs/dbraw/zinc/65/28/32/557652832.db2.gz SPNDKSVUMWIOAY-UNOMPAQXSA-N 0 0 441.350 5.160 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@](C)(CC)OC3 ZINC000002996559 557674284 /nfs/dbraw/zinc/67/42/84/557674284.db2.gz ANTFPOHXGSGTQX-HSZRJFAPSA-N 0 0 426.607 5.665 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cc2ccccc2cc1O ZINC000003000667 557678447 /nfs/dbraw/zinc/67/84/47/557678447.db2.gz GXWFMQXOYWATOG-UHFFFAOYSA-N 0 0 435.936 5.618 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1Br)Nc1ccccc1-2 ZINC000003000500 557686769 /nfs/dbraw/zinc/68/67/69/557686769.db2.gz ZEVNDSJYXKRMDC-KRWDZBQOSA-N 0 0 427.327 5.082 50 30 IKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000000841929 557690780 /nfs/dbraw/zinc/69/07/80/557690780.db2.gz BWJSZNUQVBZCRJ-UHFFFAOYSA-N 0 0 430.352 5.175 50 30 IKEARN CN1c2ccccc2S/C1=C/C(=O)CCCCC(=O)/C=C1\Sc2ccccc2N1C ZINC000201357662 557731303 /nfs/dbraw/zinc/73/13/03/557731303.db2.gz HNDDHEMDAHTJRE-REPVBDINSA-N 0 0 436.602 5.852 50 30 IKEARN C[C@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000226074048 557804135 /nfs/dbraw/zinc/80/41/35/557804135.db2.gz FMTLDGNAGVCGTD-IVCQMTBJSA-N 0 0 426.564 5.780 50 30 IKEARN CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 ZINC000226369502 557806100 /nfs/dbraw/zinc/80/61/00/557806100.db2.gz XLLVCEWUWMRFCJ-VDFLHAPBSA-N 0 0 443.635 6.570 50 30 IKEARN N#Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000000848720 557829730 /nfs/dbraw/zinc/82/97/30/557829730.db2.gz QZZHQRRKNSEMKR-UHFFFAOYSA-N 0 0 441.800 5.192 50 30 IKEARN COc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000000879513 557840944 /nfs/dbraw/zinc/84/09/44/557840944.db2.gz LQJMYSDWKXXUTC-UHFFFAOYSA-N 0 0 449.479 5.440 50 30 IKEARN O=S(=O)(OC[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000003136945 557842219 /nfs/dbraw/zinc/84/22/19/557842219.db2.gz MOUWCLXELLTTIT-IBGZPJMESA-N 0 0 431.351 5.181 50 30 IKEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 ZINC000000888427 557851594 /nfs/dbraw/zinc/85/15/94/557851594.db2.gz DWCKHBZQQRHTPL-OAHLLOKOSA-N 0 0 438.622 5.385 50 30 IKEARN N#Cc1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)c1ccccc1Cl ZINC000000636443 562918832 /nfs/dbraw/zinc/91/88/32/562918832.db2.gz GKOLASTZGRTADS-UHFFFAOYSA-N 0 0 437.890 5.410 50 30 IKEARN COc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC ZINC000000708631 562919066 /nfs/dbraw/zinc/91/90/66/562919066.db2.gz WRIQFXLZESDFIP-UHFFFAOYSA-N 0 0 438.483 5.684 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000000989098 562919889 /nfs/dbraw/zinc/91/98/89/562919889.db2.gz QAQIOXBFLSQYTD-UHFFFAOYSA-N 0 0 437.443 5.570 50 30 aggregator IKEARN Cc1cc(Cl)ccc1Nc1sc(C(=O)c2cc3cc(Cl)ccc3o2)c(N)c1C#N ZINC000001568969 562923018 /nfs/dbraw/zinc/92/30/18/562923018.db2.gz NQDRSEQLRQZOHD-UHFFFAOYSA-N 0 0 442.327 6.538 50 30 aggregator,in-vitro IKEARN COc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 ZINC000002325859 562926977 /nfs/dbraw/zinc/92/69/77/562926977.db2.gz DYUMSXACKSDWFC-UHFFFAOYSA-N 0 0 428.517 5.019 50 30 IKEARN O=C(C=CNc1ccc(Cc2ccc(NC=CC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F ZINC000003182465 562932633 /nfs/dbraw/zinc/93/26/33/562932633.db2.gz PTKAMJUYYYQHLO-WGDLNXRISA-N 0 0 442.359 5.391 50 30 aggregator IKEARN COc1ccc(-c2oc(NC(=O)c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003277128 562933640 /nfs/dbraw/zinc/93/36/40/562933640.db2.gz VJEAXEVRTVZQCK-UHFFFAOYSA-N 0 0 438.483 6.063 50 30 IKEARN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)Nc1ccccc1 ZINC000003291348 562933768 /nfs/dbraw/zinc/93/37/68/562933768.db2.gz BMLGRHHILCRQLP-UHFFFAOYSA-N 0 0 439.587 5.103 50 30 IKEARN COc1ccc(-n2c(SCCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl ZINC000003495874 562936273 /nfs/dbraw/zinc/93/62/73/562936273.db2.gz YVHUOMWYDXZCGH-UHFFFAOYSA-N 0 0 435.336 5.264 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000004081752 562941588 /nfs/dbraw/zinc/94/15/88/562941588.db2.gz MHAVMNJPXLZEIG-CNRMHUMKSA-N 0 0 438.696 7.412 50 30 biogenic IKEARN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000004162390 562942359 /nfs/dbraw/zinc/94/23/59/562942359.db2.gz VMOSPCSOWBEFCJ-LXFCCGDJSA-N 0 0 428.532 5.038 50 30 biogenic IKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2nc3ccccc3n2C(C)C)cc1 ZINC000006079576 562946170 /nfs/dbraw/zinc/94/61/70/562946170.db2.gz CVZAIBUDSGPUEU-PCLIKHOPSA-N 0 0 432.549 5.477 50 30 IKEARN Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1C ZINC000008589806 562951378 /nfs/dbraw/zinc/95/13/78/562951378.db2.gz WELGHBZPCGILOK-UHFFFAOYSA-N 0 0 447.507 6.048 50 30 IKEARN CCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1C#N)c1ccccc1 ZINC000008609271 562957720 /nfs/dbraw/zinc/95/77/20/562957720.db2.gz CDQLYRWDZHZOLQ-UHFFFAOYSA-N 0 0 426.545 5.101 50 30 IKEARN CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1 ZINC000008614952 562959670 /nfs/dbraw/zinc/95/96/70/562959670.db2.gz BWPNYOQNOOJQRQ-UHFFFAOYSA-N 0 0 431.448 5.536 50 30 aggregator IKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000027520700 563042688 /nfs/dbraw/zinc/04/26/88/563042688.db2.gz BZLMOUWVCAOJSG-CIAFOILYSA-N 0 0 432.505 5.202 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl ZINC000247754979 568618170 /nfs/dbraw/zinc/61/81/70/568618170.db2.gz VUAKNUODZRBLQK-ZLNRFVROSA-N 0 0 441.943 5.686 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102486492 568621298 /nfs/dbraw/zinc/62/12/98/568621298.db2.gz UJMDAPKVKFTMSA-MRJHHRETSA-N 0 0 448.544 5.093 50 30 IKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1 ZINC000108450309 568625583 /nfs/dbraw/zinc/62/55/83/568625583.db2.gz PUGACACYWXKMSL-QFIPXVFZSA-N 0 0 434.532 6.282 50 30 biogenic IKEARN CC1(C)CC(=O)C2=C(C1)N(C[C@@H]1CCCO1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O ZINC000000902512 568636204 /nfs/dbraw/zinc/63/62/04/568636204.db2.gz JBDPQRRMJBNPBM-KRWDZBQOSA-N 0 0 449.591 5.257 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1-c1ccc(C#N)cc1 ZINC000025143815 568639863 /nfs/dbraw/zinc/63/98/63/568639863.db2.gz UWJPYGLBIRZUOB-UHFFFAOYSA-N 0 0 441.506 6.208 50 30 IKEARN C=C(C)CNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1 ZINC000025142256 568639894 /nfs/dbraw/zinc/63/98/94/568639894.db2.gz VOPDVUPELHFYMS-UHFFFAOYSA-N 0 0 439.515 5.175 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1ccc(C#N)cc1 ZINC000025142565 568640156 /nfs/dbraw/zinc/64/01/56/568640156.db2.gz VYDKYZKUKXJNJE-UHFFFAOYSA-N 0 0 437.543 6.377 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4Cl)nn3[C@@H]2c2ccccc2[N+](=O)[O-])C1 ZINC000000944336 568643146 /nfs/dbraw/zinc/64/31/46/568643146.db2.gz OOGZKDFCRIKQLE-HXUWFJFHSA-N 0 0 449.898 5.165 50 30 IKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2csc(-c3ccccc3)n2)cc1C ZINC000000945295 568643372 /nfs/dbraw/zinc/64/33/72/568643372.db2.gz NFMZZNWEHXESRO-UIOOFZCWSA-N 0 0 441.552 6.329 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 ZINC000000952990 568644978 /nfs/dbraw/zinc/64/49/78/568644978.db2.gz GLCWESATTUQJBY-DEOSSOPVSA-N 0 0 449.522 5.182 50 30 IKEARN C=CCn1c(SCc2ccccc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025160277 568645512 /nfs/dbraw/zinc/64/55/12/568645512.db2.gz BFLDHPKVGCJSBF-UHFFFAOYSA-N 0 0 434.568 6.639 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc3c(c2)OCCO3)nc1SCc1ccccn1 ZINC000000971480 568647497 /nfs/dbraw/zinc/64/74/97/568647497.db2.gz NFGJNRQIELAONC-UHFFFAOYSA-N 0 0 429.423 5.098 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccco3)nc3ccccc31)CCCCCC2 ZINC000000995308 568648240 /nfs/dbraw/zinc/64/82/40/568648240.db2.gz ATMWTIZEUDIWDK-UHFFFAOYSA-N 0 0 427.529 6.339 50 30 IKEARN N#Cc1cc2c(nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2 ZINC000001010045 568649815 /nfs/dbraw/zinc/64/98/15/568649815.db2.gz AUDWJWPPGXXWJQ-UHFFFAOYSA-N 0 0 425.863 5.235 50 30 IKEARN C=CCn1cnnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC ZINC000025253696 568650257 /nfs/dbraw/zinc/65/02/57/568650257.db2.gz TUBBHVUIRLEXFM-UHFFFAOYSA-N 0 0 430.533 5.148 50 30 IKEARN Cc1cc(C(F)(F)F)nc(SCC(=O)N(c2ccccc2)c2ccccc2)c1C#N ZINC000001010205 568652011 /nfs/dbraw/zinc/65/20/11/568652011.db2.gz BTDDHIXPVMJUTL-UHFFFAOYSA-N 0 0 427.451 5.738 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000001025858 568653169 /nfs/dbraw/zinc/65/31/69/568653169.db2.gz MRAWDBYNPUTKHY-JOCHJYFZSA-N 0 0 447.874 5.160 50 30 IKEARN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1Cl ZINC000001067582 568655617 /nfs/dbraw/zinc/65/56/17/568655617.db2.gz LSVMWDGLIOOLQD-UHFFFAOYSA-N 0 0 429.756 5.703 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C#N)c3)c2C1 ZINC000025389621 568656111 /nfs/dbraw/zinc/65/61/11/568656111.db2.gz QGHUYYWUPHXRMB-GOSISDBHSA-N 0 0 441.531 5.053 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 ZINC000025391335 568656327 /nfs/dbraw/zinc/65/63/27/568656327.db2.gz RVFQAHQGMZYNPS-GOSISDBHSA-N 0 0 441.531 5.053 50 30 IKEARN CCOC(=O)c1c(CC(C#N)(c2ccccc2)c2ccccc2)oc2ccc(OC)cc21 ZINC000001074204 568656583 /nfs/dbraw/zinc/65/65/83/568656583.db2.gz ZIVZXEHWIJPZAG-UHFFFAOYSA-N 0 0 425.484 5.670 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001079486 568656732 /nfs/dbraw/zinc/65/67/32/568656732.db2.gz UOYPBBMXWYNOKZ-INIZCTEOSA-N 0 0 426.419 5.037 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000001079488 568656765 /nfs/dbraw/zinc/65/67/65/568656765.db2.gz DJQIISWFCCPVQJ-MRXNPFEDSA-N 0 0 426.419 5.037 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 ZINC000001080232 568657003 /nfs/dbraw/zinc/65/70/03/568657003.db2.gz LPASXEOEVJVMQJ-WINIVTDRSA-N 0 0 446.506 5.922 50 30 IKEARN CCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001080213 568657053 /nfs/dbraw/zinc/65/70/53/568657053.db2.gz LUHXGQBPZJLMON-KMRXNPHXSA-N 0 0 446.550 6.592 50 30 IKEARN N#Cc1cccc(Oc2cccc(C(=O)OCc3ccc(Br)cc3)c2)c1C#N ZINC000001116153 568659480 /nfs/dbraw/zinc/65/94/80/568659480.db2.gz VFSSAOZLSMVDGN-UHFFFAOYSA-N 0 0 433.261 5.342 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1 ZINC000001115334 568659568 /nfs/dbraw/zinc/65/95/68/568659568.db2.gz PXOBTKJKMKNXGA-LBPRGKRZSA-N 0 0 441.350 6.019 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000001103541 568660364 /nfs/dbraw/zinc/66/03/64/568660364.db2.gz LZEHYRKJLJNDJP-QHCPKHFHSA-N 0 0 444.506 5.297 50 30 IKEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000001132761 568661780 /nfs/dbraw/zinc/66/17/80/568661780.db2.gz SGNDXWYWMWVYTA-CYBMUJFWSA-N 0 0 447.398 5.794 50 30 IKEARN Cc1ccc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)oc2c1 ZINC000015134393 568663738 /nfs/dbraw/zinc/66/37/38/568663738.db2.gz WAKFQSCGSYXWTC-BRJLIKDPSA-N 0 0 435.321 6.639 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000001179056 568735901 /nfs/dbraw/zinc/73/59/01/568735901.db2.gz FHDWDEJFAWUXBB-RLMNYEENSA-N 0 0 440.455 5.086 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000001179058 568735918 /nfs/dbraw/zinc/73/59/18/568735918.db2.gz FHDWDEJFAWUXBB-USXRGHEGSA-N 0 0 440.455 5.086 50 30 IKEARN N#Cc1cc(-c2nc(-c3ccccc3)cs2)c(N)nc1SCC(=O)Nc1ccccc1 ZINC000025572524 568736183 /nfs/dbraw/zinc/73/61/83/568736183.db2.gz NCSRKFWFZOZKQN-UHFFFAOYSA-N 0 0 443.557 5.057 50 30 IKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000001208166 568737129 /nfs/dbraw/zinc/73/71/29/568737129.db2.gz WYCSGKOENFHISE-ZDLGFXPLSA-N 0 0 428.263 5.947 50 30 IKEARN C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005827566 568737585 /nfs/dbraw/zinc/73/75/85/568737585.db2.gz ZYEDEPBMAUWJCW-UHFFFAOYSA-N 0 0 427.013 6.267 50 30 IKEARN CC(C)(C)C1=CC(=C2C(=O)c3ccccc3C(=O)C2(Cl)Cl)C=C(C(C)(C)C)C1=O ZINC000137088045 568738419 /nfs/dbraw/zinc/73/84/19/568738419.db2.gz OCWGYPPIDRLDKF-UHFFFAOYSA-N 0 0 431.359 6.064 50 30 IKEARN N#Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C#N)c(C#N)c4)cc3)cc2)cc1C#N ZINC000001225236 568741893 /nfs/dbraw/zinc/74/18/93/568741893.db2.gz GCQXFKBSPSLVPY-UHFFFAOYSA-N 0 0 438.446 6.425 50 30 IKEARN N#C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000012526608 568742575 /nfs/dbraw/zinc/74/25/75/568742575.db2.gz MQMNMFLOTFXECD-BVAGGSTKSA-N 0 0 431.967 5.002 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)cc1 ZINC000002066841 568742579 /nfs/dbraw/zinc/74/25/79/568742579.db2.gz LEWAGCDJPBWOJU-HSZRJFAPSA-N 0 0 425.569 5.423 50 30 IKEARN N#C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000012526609 568742592 /nfs/dbraw/zinc/74/25/92/568742592.db2.gz MQMNMFLOTFXECD-JYFHCDHNSA-N 0 0 431.967 5.002 50 30 IKEARN CCc1ccc(/C=C2\Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 ZINC000002102639 568742772 /nfs/dbraw/zinc/74/27/72/568742772.db2.gz PXNVXVSYDJWJDI-UCQKPKSFSA-N 0 0 430.456 5.102 50 30 biogenic IKEARN C=CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(Cl)cc2)c1C#N ZINC000003214544 568743111 /nfs/dbraw/zinc/74/31/11/568743111.db2.gz BSYDUKZHIOBFTL-UHFFFAOYSA-N 0 0 433.964 6.421 50 30 IKEARN C=CCn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003284668 568744975 /nfs/dbraw/zinc/74/49/75/568744975.db2.gz QXIYNKUKQCWMMJ-UHFFFAOYSA-N 0 0 431.561 6.150 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)CCCOc3ccc(Br)cc3)cc2)cc1 ZINC000003359135 568747057 /nfs/dbraw/zinc/74/70/57/568747057.db2.gz XFQKUQCCIZCJCK-UHFFFAOYSA-N 0 0 436.305 5.752 50 30 IKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000001226966 568750663 /nfs/dbraw/zinc/75/06/63/568750663.db2.gz SUCBWFPUWPUFIQ-WSDLNYQXSA-N 0 0 440.240 5.556 50 30 IKEARN CC(Nc1ccccc1)=C1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000003620943 568751850 /nfs/dbraw/zinc/75/18/50/568751850.db2.gz NXPSCNHCWFSEKP-USMPFQSLSA-N 0 0 444.372 7.625 50 30 IKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003627457 568751921 /nfs/dbraw/zinc/75/19/21/568751921.db2.gz KXNMAIAKSBGCKU-SZNDQCEHSA-N 0 0 435.014 5.765 50 30 IKEARN O=C1SC(c2cc(I)ccc2Cl)=N/C1=C/c1cccs1 ZINC000003663529 568753599 /nfs/dbraw/zinc/75/35/99/568753599.db2.gz QBBPKFLNJQFYRK-KPKJPENVSA-N 0 0 431.707 5.067 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 ZINC000003664712 568753636 /nfs/dbraw/zinc/75/36/36/568753636.db2.gz MVTQGERUFVZPPG-XLNRJJMWSA-N 0 0 436.548 6.424 50 30 biogenic IKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)c(Cl)c1 ZINC000003667124 568753905 /nfs/dbraw/zinc/75/39/05/568753905.db2.gz WYLWXAZWCMBLPD-PGGKNCGUSA-N 0 0 429.181 6.931 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc([N+](=O)[O-])ccc1O[C@@H]2c1ccccc1 ZINC000003669376 568754098 /nfs/dbraw/zinc/75/40/98/568754098.db2.gz IFJGOADHVDIMSW-XMMPIXPASA-N 0 0 446.547 6.407 50 30 IKEARN Cc1ccc(N2C3=C(C(=O)c4ccccc43)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000003671309 568754123 /nfs/dbraw/zinc/75/41/23/568754123.db2.gz SKIJVPGAWKSSJO-AREMUKBSSA-N 0 0 445.562 6.850 50 30 IKEARN Clc1ccc(-c2csc(N=NCc3ccccc3I)n2)cc1 ZINC000031854517 568758494 /nfs/dbraw/zinc/75/84/94/568758494.db2.gz FITZKZSTEJSYAX-OCKHKDLRSA-N 0 0 439.709 5.514 50 30 IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000004035913 568759662 /nfs/dbraw/zinc/75/96/62/568759662.db2.gz MIWCWTRTLAOELW-KDYSTLNUSA-N 0 0 435.527 5.392 50 30 IKEARN CCCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CC/C2=C/c1ccccc1 ZINC000031934207 568759889 /nfs/dbraw/zinc/75/98/89/568759889.db2.gz ACCFKNZQUIQRHI-PGMHBOJBSA-N 0 0 440.568 6.152 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004062250 568760023 /nfs/dbraw/zinc/76/00/23/568760023.db2.gz RPJYQERFYOCLIV-XHCCPWGMSA-N 0 0 444.962 6.718 50 30 IKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1O ZINC000004067182 568760207 /nfs/dbraw/zinc/76/02/07/568760207.db2.gz XRASRYOFCAQIFR-JFLMPSFJSA-N 0 0 443.890 6.380 50 30 IKEARN Cc1c(C(=O)C2=C3SC=C(c4ccc(Cl)cc4)N3CCCC2)cccc1[N+](=O)[O-] ZINC000012651124 568774370 /nfs/dbraw/zinc/77/43/70/568774370.db2.gz JMVAEGZWTFUNRC-UHFFFAOYSA-N 0 0 426.925 6.182 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001245848 568774661 /nfs/dbraw/zinc/77/46/61/568774661.db2.gz ZHSQQFRKGJRADX-GOSISDBHSA-N 0 0 426.607 5.272 50 30 IKEARN CC(=O)N(c1ccc(C(C)C)c(C)c1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000004105625 568775398 /nfs/dbraw/zinc/77/53/98/568775398.db2.gz YUYVEBDCNKQKET-UHFFFAOYSA-N 0 0 430.548 5.248 50 30 IKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCC3)c(OC)c1 ZINC000004108598 568775568 /nfs/dbraw/zinc/77/55/68/568775568.db2.gz CRXDTZOKMNTLSJ-CVKSISIWSA-N 0 0 449.576 5.323 50 30 IKEARN O=P(C(=Nc1ccc(Cl)cc1)N1CCCCC1)(N1CCCCC1)N1CCCCC1 ZINC000263621595 568778360 /nfs/dbraw/zinc/77/83/60/568778360.db2.gz WTPPPBXALHACPX-UHFFFAOYSA-N 0 0 436.968 5.978 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC ZINC000083313489 568779431 /nfs/dbraw/zinc/77/94/31/568779431.db2.gz FAEGEQUQYWQHDI-GCNWNYGFSA-N 0 0 444.556 6.031 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccccc1CC ZINC000083313528 568779465 /nfs/dbraw/zinc/77/94/65/568779465.db2.gz VXHMWLUKQHOKRS-SBEYKLCGSA-N 0 0 426.585 6.928 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000025814165 568782634 /nfs/dbraw/zinc/78/26/34/568782634.db2.gz PTRJOSTZQFKGOQ-UHFFFAOYSA-N 0 0 441.556 5.200 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc([C@H](C)CC)cc2)cc1 ZINC000045940395 568783620 /nfs/dbraw/zinc/78/36/20/568783620.db2.gz QPMQWDBMOYDOTH-LJQANCHMSA-N 0 0 430.552 5.392 50 30 IKEARN COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001389519 568784867 /nfs/dbraw/zinc/78/48/67/568784867.db2.gz CTIPLYGVRCKMJB-XIJKMBGTSA-N 0 0 431.488 5.157 50 30 IKEARN CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCC1 ZINC000001402129 568786633 /nfs/dbraw/zinc/78/66/33/568786633.db2.gz SHVZUTCAODFNQR-ZRGSRPPYSA-N 0 0 426.826 5.327 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1F)N=C(SCc1cnc(Cl)s1)N2 ZINC000001406993 568787284 /nfs/dbraw/zinc/78/72/84/568787284.db2.gz PHTZGMYJYIDWCB-GOSISDBHSA-N 0 0 441.940 5.477 50 30 IKEARN CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001413305 568790183 /nfs/dbraw/zinc/79/01/83/568790183.db2.gz HTCTYIXEIVFTFI-QFIPXVFZSA-N 0 0 432.907 5.189 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 ZINC000001414720 568790316 /nfs/dbraw/zinc/79/03/16/568790316.db2.gz ADEQEXZDXRBQOC-HSZRJFAPSA-N 0 0 442.540 5.359 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 ZINC000001414719 568790400 /nfs/dbraw/zinc/79/04/00/568790400.db2.gz ADEQEXZDXRBQOC-QHCPKHFHSA-N 0 0 442.540 5.359 50 30 IKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000100037113 568791130 /nfs/dbraw/zinc/79/11/30/568791130.db2.gz GGRHPDUABIVHSS-UHFFFAOYSA-N 0 0 436.517 5.895 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731469 568792588 /nfs/dbraw/zinc/79/25/88/568792588.db2.gz IVDPNZJDFYAFMR-DEOSSOPVSA-N 0 0 444.506 5.431 50 30 IKEARN C=CCc1c2c(cc(Br)c1O)n(Cc1ccccc1)c(C)c2C(=O)OCC ZINC000096557912 568792983 /nfs/dbraw/zinc/79/29/83/568792983.db2.gz RWZRVUUHFIZYGG-UHFFFAOYSA-N 0 0 428.326 5.371 50 30 IKEARN Cc1cccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000001429563 568794310 /nfs/dbraw/zinc/79/43/10/568794310.db2.gz QTVPNSUSRZFCHD-IBGZPJMESA-N 0 0 444.600 5.971 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccsc1 ZINC000001429678 568794608 /nfs/dbraw/zinc/79/46/08/568794608.db2.gz WQHQQWGORFXHFO-INIZCTEOSA-N 0 0 436.602 5.724 50 30 IKEARN Cc1ccsc1[C@H]1CC(=O)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2 ZINC000001431973 568795080 /nfs/dbraw/zinc/79/50/80/568795080.db2.gz WWBBNFSDPRWCRJ-INIZCTEOSA-N 0 0 436.602 5.786 50 30 IKEARN N#Cc1sc(-c2cccc(Cl)c2)cc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000084579384 568799042 /nfs/dbraw/zinc/79/90/42/568799042.db2.gz NAFHPBJNPRFUPK-INIZCTEOSA-N 0 0 435.936 5.470 50 30 IKEARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 ZINC000084687082 568800014 /nfs/dbraw/zinc/80/00/14/568800014.db2.gz JXLFGOSYBSSLLA-UGSOOPFHSA-N 0 0 435.936 5.787 50 30 IKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 ZINC000004648757 568804211 /nfs/dbraw/zinc/80/42/11/568804211.db2.gz YRGLKFYABDJLHS-BPYKYCOYSA-N 0 0 426.626 7.026 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc(Br)c1 ZINC000001441359 568811479 /nfs/dbraw/zinc/81/14/79/568811479.db2.gz SNPWNIQIXNDINI-OAQYLSRUSA-N 0 0 433.349 6.198 50 30 IKEARN C=CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC=C)c1 ZINC000008395995 568812647 /nfs/dbraw/zinc/81/26/47/568812647.db2.gz LCNDWZKLFJMSFO-OCKHKDLRSA-N 0 0 431.822 5.092 50 30 IKEARN C=CCN1c2ccccc2C(c2c(C)[nH]c3ccccc32)(c2c(C)[nH]c3ccccc32)C1=O ZINC000008398332 568812770 /nfs/dbraw/zinc/81/27/70/568812770.db2.gz BVWDWWSPNHIOOC-UHFFFAOYSA-N 0 0 431.539 6.133 50 30 IKEARN C=CCSc1nnc(-c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)n1C ZINC000008636646 568815299 /nfs/dbraw/zinc/81/52/99/568815299.db2.gz ZBHLWMMEKNJMJQ-UHFFFAOYSA-N 0 0 439.544 5.818 50 30 IKEARN C=CCOc1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1Br ZINC000008905938 568816721 /nfs/dbraw/zinc/81/67/21/568816721.db2.gz LOQPFMAWMNZAOM-UHFFFAOYSA-N 0 0 438.321 5.845 50 30 IKEARN C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccc(OC)cc1 ZINC000009096330 568817844 /nfs/dbraw/zinc/81/78/44/568817844.db2.gz RIGIEMMPMXDCQK-UHFFFAOYSA-N 0 0 432.549 5.089 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(OC)c1 ZINC000009308025 568818030 /nfs/dbraw/zinc/81/80/30/568818030.db2.gz KPEKPZKTIHVXRU-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000009307444 568818255 /nfs/dbraw/zinc/81/82/55/568818255.db2.gz BHEXROACNNWJNJ-UHFFFAOYSA-N 0 0 444.560 5.236 50 30 IKEARN C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1 ZINC000009261390 568818420 /nfs/dbraw/zinc/81/84/20/568818420.db2.gz ZFKYBTJBMVUEDZ-UHFFFAOYSA-N 0 0 438.641 5.717 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(OC)c1 ZINC000009478576 568818864 /nfs/dbraw/zinc/81/88/64/568818864.db2.gz WWNVOCWEXRUHLP-UHFFFAOYSA-N 0 0 436.581 5.168 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(Cl)c1 ZINC000009497762 568818986 /nfs/dbraw/zinc/81/89/86/568818986.db2.gz TZAKUXOMXMWHQF-UHFFFAOYSA-N 0 0 447.391 5.786 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000009496908 568819014 /nfs/dbraw/zinc/81/90/14/568819014.db2.gz IKSUGMGZGVCFNK-UHFFFAOYSA-N 0 0 436.581 5.206 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCC(C)C)c1 ZINC000001457577 568819225 /nfs/dbraw/zinc/81/92/25/568819225.db2.gz UJWDWCLPKQFNQL-HHHXNRCGSA-N 0 0 446.591 6.274 50 30 IKEARN COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC ZINC000006075248 568820611 /nfs/dbraw/zinc/82/06/11/568820611.db2.gz FFQWKIASRBTZQZ-CQSZACIVSA-N 0 0 428.554 5.049 50 30 IKEARN C=CCN(C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 ZINC000006073501 568821051 /nfs/dbraw/zinc/82/10/51/568821051.db2.gz RNNSAIYWPLHPNB-UHFFFAOYSA-N 0 0 439.518 6.922 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000006077344 568821199 /nfs/dbraw/zinc/82/11/99/568821199.db2.gz IROPHWKZMNPUBU-HOYKHHGWSA-N 0 0 441.556 5.143 50 30 IKEARN CC/N=C1/S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1CC ZINC000006077069 568821204 /nfs/dbraw/zinc/82/12/04/568821204.db2.gz RMTUHCAVCPTPNJ-MKIITAJQSA-N 0 0 437.540 5.172 50 30 IKEARN CCOC(=O)c1ccccc1CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000006089621 568821715 /nfs/dbraw/zinc/82/17/15/568821715.db2.gz SVGFQZFJJCUHQZ-UHFFFAOYSA-N 0 0 442.462 6.108 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013804626 568824139 /nfs/dbraw/zinc/82/41/39/568824139.db2.gz YVZPNBNVFLPMLM-UHFFFAOYSA-N 0 0 436.581 5.168 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc(OC)c1 ZINC000013805850 568824176 /nfs/dbraw/zinc/82/41/76/568824176.db2.gz JDONSFYHFXJKLW-UHFFFAOYSA-N 0 0 430.533 5.024 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(OC)c1 ZINC000013805874 568824226 /nfs/dbraw/zinc/82/42/26/568824226.db2.gz YVOQAGVWVKNBDH-UHFFFAOYSA-N 0 0 442.972 5.141 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000013805245 568824318 /nfs/dbraw/zinc/82/43/18/568824318.db2.gz NLXOUIIMGJKIFX-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000014081661 568824829 /nfs/dbraw/zinc/82/48/29/568824829.db2.gz RAJQKNJIQWKQAB-UHFFFAOYSA-N 0 0 437.327 5.308 50 30 IKEARN Cc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000085581300 568825184 /nfs/dbraw/zinc/82/51/84/568825184.db2.gz ZREVAAJPLAJOMA-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)c1 ZINC000085581331 568825335 /nfs/dbraw/zinc/82/53/35/568825335.db2.gz XRWBHXFDZHYJLF-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 biogenic IKEARN O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1F)c1cccc(Cl)c1 ZINC000085581370 568825339 /nfs/dbraw/zinc/82/53/39/568825339.db2.gz RJCOITGPVSRKHC-UHFFFAOYSA-N 0 0 434.902 5.401 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000015016048 568828024 /nfs/dbraw/zinc/82/80/24/568828024.db2.gz PMQUCLBJRMCWRZ-FQEVSTJZSA-N 0 0 442.903 5.053 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000015016047 568828147 /nfs/dbraw/zinc/82/81/47/568828147.db2.gz PMQUCLBJRMCWRZ-HXUWFJFHSA-N 0 0 442.903 5.053 50 30 IKEARN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016138509 568829246 /nfs/dbraw/zinc/82/92/46/568829246.db2.gz YONRPDQDFRYVNA-UHFFFAOYSA-N 0 0 444.516 5.091 50 30 IKEARN C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016736344 568830102 /nfs/dbraw/zinc/83/01/02/568830102.db2.gz KXLSWFREAWKRQB-DEOSSOPVSA-N 0 0 438.483 5.119 50 30 IKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 ZINC000016729095 568830444 /nfs/dbraw/zinc/83/04/44/568830444.db2.gz QULULZOGETZRPS-UHFFFAOYSA-N 0 0 444.453 6.635 50 30 IKEARN C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OCC ZINC000000651597 568831818 /nfs/dbraw/zinc/83/18/18/568831818.db2.gz WIQOQWWTANIOJY-WQRHYEAKSA-N 0 0 442.309 5.147 50 30 IKEARN C=C(C)[C@@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)CC1 ZINC000000758976 568832193 /nfs/dbraw/zinc/83/21/93/568832193.db2.gz NRLHFCLKMFBIIK-HRFSGMKKSA-N 0 0 438.011 6.607 50 30 IKEARN COc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O ZINC000001502298 568832228 /nfs/dbraw/zinc/83/22/28/568832228.db2.gz WKQNFYQFYMPNFW-YDZHTSKRSA-N 0 0 425.282 5.166 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccsc2)n1 ZINC000018059749 568832339 /nfs/dbraw/zinc/83/23/39/568832339.db2.gz MZPAAWHGHGFLMU-HXOBKFHXSA-N 0 0 445.544 5.045 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2cccs2)n1 ZINC000018067550 568832449 /nfs/dbraw/zinc/83/24/49/568832449.db2.gz IYRMYBMNAPPNAO-GYCJOSAFSA-N 0 0 445.544 5.045 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000000979896 568832546 /nfs/dbraw/zinc/83/25/46/568832546.db2.gz NFVZSOFQOSJYBQ-XDHOZWIPSA-N 0 0 445.899 5.126 50 30 IKEARN C=C(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000000984891 568832575 /nfs/dbraw/zinc/83/25/75/568832575.db2.gz IRMFWFPQJJZJIZ-UHFFFAOYSA-N 0 0 445.009 5.541 50 30 IKEARN C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O ZINC000001142835 568833097 /nfs/dbraw/zinc/83/30/97/568833097.db2.gz WSXDEYBECJSIPL-WQRHYEAKSA-N 0 0 448.313 5.390 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000001112926 568833175 /nfs/dbraw/zinc/83/31/75/568833175.db2.gz GSPLOJSFDINSTI-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccsc2)n1 ZINC000018098550 568833456 /nfs/dbraw/zinc/83/34/56/568833456.db2.gz MZPAAWHGHGFLMU-GAJHUEQPSA-N 0 0 445.544 5.045 50 30 IKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccc(OC)c(OC)c1 ZINC000001467950 568833908 /nfs/dbraw/zinc/83/39/08/568833908.db2.gz NUAXAFFYXXNHLP-UHFFFAOYSA-N 0 0 426.520 5.068 50 30 IKEARN Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(C)c1Cc1ccccc1 ZINC000001505965 568834009 /nfs/dbraw/zinc/83/40/09/568834009.db2.gz DBOQRURVMNWLTO-UHFFFAOYSA-N 0 0 440.524 5.242 50 30 IKEARN C=CCOc1c(I)cc(CNc2ccc(C)c(Cl)c2)cc1OC ZINC000002093791 568834476 /nfs/dbraw/zinc/83/44/76/568834476.db2.gz PLUAGGAJIIMUKK-UHFFFAOYSA-N 0 0 443.712 5.439 50 30 IKEARN C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000002099712 568834515 /nfs/dbraw/zinc/83/45/15/568834515.db2.gz VNCULZCXSZTEGR-JMIUGGIZSA-N 0 0 441.339 5.666 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002183462 568834613 /nfs/dbraw/zinc/83/46/13/568834613.db2.gz YAMQBWHQAPQMQQ-GOSISDBHSA-N 0 0 438.662 6.326 50 30 IKEARN C=CCOc1ccc(Br)cc1/C=C1\SC(=N)N(c2ccc(F)cc2)C1=O ZINC000002155157 568834635 /nfs/dbraw/zinc/83/46/35/568834635.db2.gz XPDIZTQXAOYALJ-ZJNHSXOMSA-N 0 0 433.302 5.209 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)c(Cl)c1)CCCC3 ZINC000002182006 568834689 /nfs/dbraw/zinc/83/46/89/568834689.db2.gz UJWCCHCGJITOMV-UHFFFAOYSA-N 0 0 437.417 6.122 50 30 IKEARN C#CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002294130 568834839 /nfs/dbraw/zinc/83/48/39/568834839.db2.gz GYIIWBFUWQUOAX-UHFFFAOYSA-N 0 0 442.584 5.391 50 30 biogenic IKEARN C=CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295716 568834863 /nfs/dbraw/zinc/83/48/63/568834863.db2.gz UIFLNHOJCKXOKB-UHFFFAOYSA-N 0 0 428.601 6.244 50 30 biogenic IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000002270797 568834870 /nfs/dbraw/zinc/83/48/70/568834870.db2.gz PCLCVDPQLMETQG-QGZVFWFLSA-N 0 0 438.662 6.575 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc3ccccc3c1)sc1c2CCCC1 ZINC000002376197 568835004 /nfs/dbraw/zinc/83/50/04/568835004.db2.gz CQTGEOOETMZJJH-UHFFFAOYSA-N 0 0 446.597 5.651 50 30 IKEARN O=C(OCC#CCSc1nc2ccccc2s1)c1sc2ccccc2c1Cl ZINC000002364116 568835195 /nfs/dbraw/zinc/83/51/95/568835195.db2.gz CAORSIGXIXVGMJ-UHFFFAOYSA-N 0 0 429.975 6.117 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000002329760 568835196 /nfs/dbraw/zinc/83/51/96/568835196.db2.gz BOYNGJGSEKFICA-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 ZINC000002327852 568835231 /nfs/dbraw/zinc/83/52/31/568835231.db2.gz NIJIXVLMUSLXCA-UHFFFAOYSA-N 0 0 436.434 5.020 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C ZINC000002352460 568835248 /nfs/dbraw/zinc/83/52/48/568835248.db2.gz RERAQACNWOVZFG-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1 ZINC000002449448 568835935 /nfs/dbraw/zinc/83/59/35/568835935.db2.gz GKEQMIPWZCXCJY-UHFFFAOYSA-N 0 0 442.544 5.654 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(C)cc1 ZINC000002450500 568835960 /nfs/dbraw/zinc/83/59/60/568835960.db2.gz UEDMWZWQWHSBGG-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(Cl)c2)n1 ZINC000001176655 568836664 /nfs/dbraw/zinc/83/66/64/568836664.db2.gz KEFQWZYOJXNKTN-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(Cl)c2)c1 ZINC000018175840 568836898 /nfs/dbraw/zinc/83/68/98/568836898.db2.gz IEPDSHZEDUXBDJ-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN O=C(Cc1ccccc1)ON[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003137404 568841788 /nfs/dbraw/zinc/84/17/88/568841788.db2.gz NGEHLXNHZGFHNT-HNNXBMFYSA-N 0 0 443.541 5.359 50 30 IKEARN COc1ccc(/C=N/c2ccc(/C=C/c3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000018057377 568842383 /nfs/dbraw/zinc/84/23/83/568842383.db2.gz OVYNLEMXCIOVNA-CZJFJFIFSA-N 0 0 446.550 7.375 50 30 IKEARN O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000100457318 568843407 /nfs/dbraw/zinc/84/34/07/568843407.db2.gz BLYFWSRLWCELBW-LGJNPRDNSA-N 0 0 446.450 5.772 50 30 IKEARN Cc1ccc(S(=O)(=O)NN=C2C[C@]34CC(=O)C[C@@]3(C2)CCCCCCCCCC4)cc1 ZINC000045072058 568843411 /nfs/dbraw/zinc/84/34/11/568843411.db2.gz HEXSWHUJJPULAI-PLQXJYEYSA-N 0 0 444.641 5.673 50 30 IKEARN O=C1CCCC(=O)C1[C@H](Sc1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000101082253 568843722 /nfs/dbraw/zinc/84/37/22/568843722.db2.gz UXFUODISDMCESE-WNDOJPOZSA-N 0 0 438.592 7.010 50 30 IKEARN CNC(=S)N=NCc1ccc(OCc2c(Cl)ccc(Cl)c2Cl)c(OC)c1 ZINC000006132254 568844995 /nfs/dbraw/zinc/84/49/95/568844995.db2.gz AZCLOPMDTCYMJB-GZIVZEMBSA-N 0 0 432.760 5.074 50 30 IKEARN CCNC(=S)N=NCc1ccc(OCc2c(Cl)ccc(Cl)c2Cl)c(OC)c1 ZINC000006132089 568844996 /nfs/dbraw/zinc/84/49/96/568844996.db2.gz PASQXNYMKAZVPV-NUGSKGIGSA-N 0 0 446.787 5.464 50 30 IKEARN Cc1ccc(-c2nnc(N=NCc3c(Cl)nc4ccccn43)c3ccccc32)cc1C ZINC000006147629 568846455 /nfs/dbraw/zinc/84/64/55/568846455.db2.gz CKMQGCMYEBKNGI-VULFUBBASA-N 0 0 426.911 5.661 50 30 IKEARN Fc1ccc(N2C(=S)C3(CCCCC3)[C@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1 ZINC000015861790 568848190 /nfs/dbraw/zinc/84/81/90/568848190.db2.gz VVWRIFLZGXTUFT-LCQNATCMSA-N 0 0 441.660 6.509 50 30 IKEARN Fc1ccc(N2C(=S)C3(CCCCC3)[C@@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1 ZINC000015861789 568848245 /nfs/dbraw/zinc/84/82/45/568848245.db2.gz VVWRIFLZGXTUFT-OSQOMCJFSA-N 0 0 441.660 6.509 50 30 IKEARN N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1 ZINC000015861782 568848272 /nfs/dbraw/zinc/84/82/72/568848272.db2.gz SMXIDLKERQIBJL-HFNVWCFFSA-N 0 0 448.680 6.242 50 30 IKEARN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1[NH+]1CCCC1 ZINC000015861660 568848371 /nfs/dbraw/zinc/84/83/71/568848371.db2.gz DATKXTKVNMQNCR-VQGADMMLSA-N 0 0 446.664 5.564 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC1CCCCCC1 ZINC000015867227 568850804 /nfs/dbraw/zinc/85/08/04/568850804.db2.gz IEXMAOLARYSGDZ-SANMLTNESA-N 0 0 449.620 5.567 50 30 IKEARN CCOc1ccc(NC(=O)CSc2nc(C3CC3)cc(-c3cccs3)c2C#N)cc1 ZINC000006173978 568850958 /nfs/dbraw/zinc/85/09/58/568850958.db2.gz JTFRSLUAPHZAPA-UHFFFAOYSA-N 0 0 435.574 5.689 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(Cl)c3)c2c1 ZINC000015880503 568854871 /nfs/dbraw/zinc/85/48/71/568854871.db2.gz UTVHGLMWKNPVFA-UHFFFAOYSA-N 0 0 447.918 6.969 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2C)nnc1SCc1csc(-c2ccccc2)n1 ZINC000019648054 568854931 /nfs/dbraw/zinc/85/49/31/568854931.db2.gz FGBRHWWUCDLYOY-UHFFFAOYSA-N 0 0 448.617 6.076 50 30 IKEARN COc1ccc([C@]2(N3CCOCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 ZINC000019720501 568855145 /nfs/dbraw/zinc/85/51/45/568855145.db2.gz CVQOIDCXJPQFCP-GDLZYMKVSA-N 0 0 437.539 5.098 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S ZINC000019798802 568855178 /nfs/dbraw/zinc/85/51/78/568855178.db2.gz UXGATXLGXPZDJJ-WOJGMQOQSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccc(C)c1 ZINC000019810529 568855283 /nfs/dbraw/zinc/85/52/83/568855283.db2.gz JRAJCBXEPCRNTD-UHFFFAOYSA-N 0 0 442.972 5.141 50 30 IKEARN C=CCN(CC=C)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(CC=C)CC=C)cc2)cc1 ZINC000019911618 568855518 /nfs/dbraw/zinc/85/55/18/568855518.db2.gz CZZUSEGIHHQRBY-UHFFFAOYSA-N 0 0 444.579 5.689 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)c1C ZINC000025394003 568861698 /nfs/dbraw/zinc/86/16/98/568861698.db2.gz NXRHIXYVJWQZKC-UHFFFAOYSA-N 0 0 431.561 5.613 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1OC ZINC000027015934 568863035 /nfs/dbraw/zinc/86/30/35/568863035.db2.gz YUNPFLNEIAXJAO-QPLCGJKRSA-N 0 0 445.544 5.797 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(C(F)(F)F)c1 ZINC000027015880 568863036 /nfs/dbraw/zinc/86/30/36/568863036.db2.gz CMYDKTBWKIVQDK-MEFGMAGPSA-N 0 0 431.483 5.921 50 30 IKEARN C=CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000027489067 568863676 /nfs/dbraw/zinc/86/36/76/568863676.db2.gz NGXZIJVSPYQWFT-DEOSSOPVSA-N 0 0 433.338 6.873 50 30 IKEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Br)cc1F ZINC000016037717 568867957 /nfs/dbraw/zinc/86/79/57/568867957.db2.gz SPHGPQZGQGWSKW-KPMSJEMISA-N 0 0 427.317 5.121 50 30 IKEARN C=CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1cccc(F)c1 ZINC000006181466 568869011 /nfs/dbraw/zinc/86/90/11/568869011.db2.gz CRBUWOMAQORABC-UHFFFAOYSA-N 0 0 432.520 5.516 50 30 IKEARN C=CCN(CC=C)/C(=N/c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C)cc1 ZINC000585152261 568872617 /nfs/dbraw/zinc/87/26/17/568872617.db2.gz HQHGGBVUQIBVEO-TVKQRKNISA-N 0 0 449.623 7.538 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)nc2c(C)c1 ZINC000006193473 568876612 /nfs/dbraw/zinc/87/66/12/568876612.db2.gz DCNKZFLYBRJGTL-NRFANRHFSA-N 0 0 441.512 5.091 50 30 IKEARN C=C(C)[C@@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)CC1 ZINC000000758974 568880263 /nfs/dbraw/zinc/88/02/63/568880263.db2.gz NRLHFCLKMFBIIK-NFQMXDRXSA-N 0 0 438.011 6.607 50 30 IKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914734 568886295 /nfs/dbraw/zinc/88/62/95/568886295.db2.gz PMBSWZWCNKVWLV-DCQSCMHASA-N 0 0 442.684 7.139 50 30 IKEARN CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(C#N)c1C ZINC000016393216 568887322 /nfs/dbraw/zinc/88/73/22/568887322.db2.gz FEKBIOLQGRQXGS-INIZCTEOSA-N 0 0 434.517 5.178 50 30 IKEARN CCCCCCCC(=O)NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001738130 568889242 /nfs/dbraw/zinc/88/92/42/568889242.db2.gz NTJKHOOIWJRPBH-QINSGFPZSA-N 0 0 441.416 5.042 50 30 IKEARN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000016407222 568893625 /nfs/dbraw/zinc/89/36/25/568893625.db2.gz PUCWMQPOZPMPRH-OQLLNIDSSA-N 0 0 431.488 5.008 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(C2CCCCC2)cc1 ZINC000015912254 568894192 /nfs/dbraw/zinc/89/41/92/568894192.db2.gz QFICQXIMVRKLIZ-ISLYRVAYSA-N 0 0 433.555 6.878 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000104190273 568900846 /nfs/dbraw/zinc/90/08/46/568900846.db2.gz CLNFXIVJWWQZBD-NHFXJNLRSA-N 0 0 432.545 5.375 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000104086762 568901389 /nfs/dbraw/zinc/90/13/89/568901389.db2.gz NXUKRGQBLOKKPD-MRJHHRETSA-N 0 0 448.316 5.384 50 30 IKEARN CC(=O)/C(=N\Nc1ccccc1C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000001744185 568902918 /nfs/dbraw/zinc/90/29/18/568902918.db2.gz VMOUKQMRCDQQTI-SLEBQGDGSA-N 0 0 427.533 5.349 50 30 IKEARN Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c1 ZINC000001780519 568906956 /nfs/dbraw/zinc/90/69/56/568906956.db2.gz JPZGNUNKPMEWKH-BUVRLJJBSA-N 0 0 449.377 5.882 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc1 ZINC000001786097 568907664 /nfs/dbraw/zinc/90/76/64/568907664.db2.gz TXJFSAFYZUTJFZ-ATVHPVEESA-N 0 0 432.364 5.420 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 ZINC000001788742 568907796 /nfs/dbraw/zinc/90/77/96/568907796.db2.gz HHFMRROVQOTGGR-UHFFFAOYSA-N 0 0 428.648 5.992 50 30 IKEARN CCCCCCCCOc1ccc(-c2cc(=O)oc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000001796178 568908151 /nfs/dbraw/zinc/90/81/51/568908151.db2.gz UPWOEDKRSKNQRD-UHFFFAOYSA-N 0 0 437.536 6.125 50 30 IKEARN Cc1nc2sc3c(c2c(SCC(=O)Nc2sc4c(c2C#N)CCC4)n1)CCCC3 ZINC000001801810 568908449 /nfs/dbraw/zinc/90/84/49/568908449.db2.gz ZUKCMCRFKBGROB-UHFFFAOYSA-N 0 0 440.619 5.031 50 30 IKEARN Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)c2c1C ZINC000001801776 568908511 /nfs/dbraw/zinc/90/85/11/568908511.db2.gz QFUJEGWHMGYJGQ-UHFFFAOYSA-N 0 0 428.608 5.241 50 30 IKEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000001840597 568916311 /nfs/dbraw/zinc/91/63/11/568916311.db2.gz UCTZFVOFMWJZOB-CQSZACIVSA-N 0 0 427.526 5.330 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 ZINC000001877151 568917227 /nfs/dbraw/zinc/91/72/27/568917227.db2.gz WPSMDUNFYWSLRB-JAIQZWGSSA-N 0 0 439.782 5.223 50 30 IKEARN Cc1cc2nc(-c3ccc(/N=C/C=C/c4cccc(Br)c4)cc3)oc2cc1C ZINC000001878339 568917309 /nfs/dbraw/zinc/91/73/09/568917309.db2.gz QIDWNTMDEVZCRT-ZLNXDXECSA-N 0 0 431.333 7.290 50 30 IKEARN COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O ZINC000001882813 568917397 /nfs/dbraw/zinc/91/73/97/568917397.db2.gz SZVUSUBQCFYEGN-KIBLKLHPSA-N 0 0 447.705 6.920 50 30 IKEARN C#CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000006463060 568919525 /nfs/dbraw/zinc/91/95/25/568919525.db2.gz PKDBUMFGQCFBJW-UHFFFAOYSA-N 0 0 431.576 5.404 50 30 IKEARN S=C(N/N=C/c1ccc(Cl)cc1Cl)NC1c2ccccc2Oc2ccccc21 ZINC000001951321 568923885 /nfs/dbraw/zinc/92/38/85/568923885.db2.gz SMYQABHVRVYBGC-WYMPLXKRSA-N 0 0 428.344 5.687 50 30 IKEARN CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1 ZINC000001951868 568923887 /nfs/dbraw/zinc/92/38/87/568923887.db2.gz HENRLSVJJPRDNY-RDRPBHBLSA-N 0 0 448.547 7.306 50 30 IKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)cc1 ZINC000006500816 568927884 /nfs/dbraw/zinc/92/78/84/568927884.db2.gz OUUOMCCLLYKORX-MONKAWABSA-N 0 0 439.581 5.072 50 30 IKEARN COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1 ZINC000064473589 568930533 /nfs/dbraw/zinc/93/05/33/568930533.db2.gz YWZMOPFMPFKINM-UHFFFAOYSA-N 0 0 428.536 5.094 50 30 IKEARN CCOc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1 ZINC000064473811 568930537 /nfs/dbraw/zinc/93/05/37/568930537.db2.gz IJKWRCXHQRJKCV-UHFFFAOYSA-N 0 0 434.927 5.014 50 30 IKEARN CCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 ZINC000027017093 568937948 /nfs/dbraw/zinc/93/79/48/568937948.db2.gz IYWMJZGJVOBLCB-CAPFRKAQSA-N 0 0 429.472 5.667 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccc(C)cc1 ZINC000027024748 568939210 /nfs/dbraw/zinc/93/92/10/568939210.db2.gz AFMOCADBQBPWKG-QPLCGJKRSA-N 0 0 429.545 6.097 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=Nc1cccc(Cl)c1Cl ZINC000027024725 568939233 /nfs/dbraw/zinc/93/92/33/568939233.db2.gz JNKJPJGCLNNFJX-NMWGTECJSA-N 0 0 434.348 6.120 50 30 IKEARN FC(F)(F)c1cc(-c2ccccc2)nc(N=NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000027024839 568939293 /nfs/dbraw/zinc/93/92/93/568939293.db2.gz ROEXEQJCAGNKMJ-UVHMKAGCSA-N 0 0 442.828 6.522 50 30 IKEARN O=C(/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1)c1ccc(Br)cc1 ZINC000027026249 568939476 /nfs/dbraw/zinc/93/94/76/568939476.db2.gz NTODHMBJEKENAQ-QGOAFFKASA-N 0 0 438.708 6.667 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cccs2)n1 ZINC000004612992 568940037 /nfs/dbraw/zinc/94/00/37/568940037.db2.gz IYRMYBMNAPPNAO-FYSMJZIKSA-N 0 0 445.544 5.045 50 30 IKEARN N#Cc1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002069275 568941279 /nfs/dbraw/zinc/94/12/79/568941279.db2.gz URUMDWQFFQDLQU-HNNXBMFYSA-N 0 0 434.801 5.098 50 30 IKEARN CCCCCCCc1ccc(/C=C/c2nc(C3CCC(CCCCCC)CC3)no2)cc1 ZINC000097957810 568989378 /nfs/dbraw/zinc/98/93/78/568989378.db2.gz UWIOXUNFJMZIPB-BSYVCWPDSA-N 0 0 436.684 8.997 50 30 IKEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1 ZINC000238882228 569137596 /nfs/dbraw/zinc/13/75/96/569137596.db2.gz CUSNQPJPCUMNGJ-TXTKFYIRSA-N 0 0 434.490 5.345 50 30 IKEARN COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000037229401 569140966 /nfs/dbraw/zinc/14/09/66/569140966.db2.gz LHZZMHLXKOFUGQ-BRXSEODCSA-N 0 0 448.559 5.477 50 30 biogenic IKEARN CN(C)c1ccc(CN(Cc2ccco2)c2oc(-c3cccc4ccccc43)nc2C#N)cc1 ZINC000170623784 569148336 /nfs/dbraw/zinc/14/83/36/569148336.db2.gz NSLHPNMEPMSXJX-UHFFFAOYSA-N 0 0 448.526 6.232 50 30 IKEARN COc1ccccc1N(CCC#N)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000010219903 569152820 /nfs/dbraw/zinc/15/28/20/569152820.db2.gz LZTKVDUNKWSAKL-UHFFFAOYSA-N 0 0 428.517 5.170 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(Sc3ncccc3[N+](=O)[O-])n2)cc1 ZINC000013575406 569155786 /nfs/dbraw/zinc/15/57/86/569155786.db2.gz QDTBECQJIOQNNH-UHFFFAOYSA-N 0 0 432.383 5.102 50 30 IKEARN CC(C)c1c(C#N)c(N)nc(SC(C)(C)C(=O)Nc2cccc(Cl)c2Cl)c1C#N ZINC000013578788 569155997 /nfs/dbraw/zinc/15/59/97/569155997.db2.gz WWMRHOKPUNYNJB-UHFFFAOYSA-N 0 0 448.379 5.347 50 30 IKEARN Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1 ZINC000013579591 569156290 /nfs/dbraw/zinc/15/62/90/569156290.db2.gz YZGKWOJHNQQHJN-UHFFFAOYSA-N 0 0 442.540 5.050 50 30 IKEARN COc1ccc(-c2csc(N=NC3C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 ZINC000013814908 569157273 /nfs/dbraw/zinc/15/72/73/569157273.db2.gz YVCXIROPPVUFHA-RUZDIDTESA-N 0 0 441.556 6.467 50 30 IKEARN Cc1ccc(C)c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 ZINC000016730204 569160502 /nfs/dbraw/zinc/16/05/02/569160502.db2.gz CCHKETOAVQQHGV-UHFFFAOYSA-N 0 0 447.507 6.048 50 30 IKEARN CCCSc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)cc(C(F)(F)F)c1C#N ZINC000016733013 569160518 /nfs/dbraw/zinc/16/05/18/569160518.db2.gz QWVJZLHKSFOJKC-UHFFFAOYSA-N 0 0 446.469 6.859 50 30 IKEARN N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)n2)c1 ZINC000089851253 569166261 /nfs/dbraw/zinc/16/62/61/569166261.db2.gz XVRCKAQJLUGAEI-UHFFFAOYSA-N 0 0 445.482 5.200 50 30 IKEARN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000089904487 569167038 /nfs/dbraw/zinc/16/70/38/569167038.db2.gz MKEZSPQIFMKQBD-ZDUSSCGKSA-N 0 0 445.375 5.366 50 30 IKEARN Cc1nn(CSc2nc(C(F)(F)F)cc(-c3ccccc3)c2C#N)c(C)c1[N+](=O)[O-] ZINC000017098368 569173403 /nfs/dbraw/zinc/17/34/03/569173403.db2.gz RTJARSFDGOCJJN-UHFFFAOYSA-N 0 0 433.415 5.110 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000017097827 569173541 /nfs/dbraw/zinc/17/35/41/569173541.db2.gz JKPXEUQPMGRHHZ-UHFFFAOYSA-N 0 0 432.332 6.021 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000017159994 569175104 /nfs/dbraw/zinc/17/51/04/569175104.db2.gz GGXZFQFEPIKPTM-MMTVBGGISA-N 0 0 440.518 6.136 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c3ccccc3n2)s1 ZINC000002083625 569177224 /nfs/dbraw/zinc/17/72/24/569177224.db2.gz WMTVTOKVXOFWPH-UHFFFAOYSA-N 0 0 443.597 6.726 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C3c4ccccc4Oc4ccccc43)sc2C1 ZINC000002081836 569177263 /nfs/dbraw/zinc/17/72/63/569177263.db2.gz HGVVCJMXERAYRS-MRXNPFEDSA-N 0 0 442.584 6.647 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1ccc(COc3cccc(Cl)c3)o1)CCCCC2 ZINC000002097895 569178638 /nfs/dbraw/zinc/17/86/38/569178638.db2.gz JVAMOARCMIRHPO-UHFFFAOYSA-N 0 0 426.925 5.966 50 30 IKEARN CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 ZINC000002098668 569179427 /nfs/dbraw/zinc/17/94/27/569179427.db2.gz AWNRBKFZOYCAGD-CFRMEGHHSA-N 0 0 430.456 5.102 50 30 biogenic IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1OC ZINC000002100822 569179655 /nfs/dbraw/zinc/17/96/55/569179655.db2.gz ZYHNCCHPRCWFCV-MXAYSNPKSA-N 0 0 444.483 5.663 50 30 biogenic IKEARN CCCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002390247 569180149 /nfs/dbraw/zinc/18/01/49/569180149.db2.gz XKBYNATYMHDUDL-UHFFFAOYSA-N 0 0 426.354 6.792 50 30 IKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)cc1 ZINC000002104848 569180178 /nfs/dbraw/zinc/18/01/78/569180178.db2.gz INMKAJNEUBJWDH-OYKKKHCWSA-N 0 0 444.483 5.551 50 30 biogenic IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl ZINC000252430790 569183421 /nfs/dbraw/zinc/18/34/21/569183421.db2.gz KAZZDRRNZVOQBJ-CHOJSVSXSA-N 0 0 441.402 7.030 50 30 IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000252430700 569183458 /nfs/dbraw/zinc/18/34/58/569183458.db2.gz GAKVNINHIOJQFK-NTNOTESOSA-N 0 0 442.477 6.410 50 30 IKEARN CCCCOc1ccc(C=Nc2ccc(N=Cc3ccc(OCCCC)cc3)cc2)cc1 ZINC000252438238 569183556 /nfs/dbraw/zinc/18/35/56/569183556.db2.gz JGPJVRJLTHAEQE-UHFFFAOYSA-N 0 0 428.576 7.546 50 30 IKEARN N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000252457313 569184440 /nfs/dbraw/zinc/18/44/40/569184440.db2.gz XZOTYCNGAVWDFP-UHFFFAOYSA-N 0 0 446.488 5.219 50 30 IKEARN CCN(CC)c1ccc(C=Nc2ccccc2N=Cc2ccc(N(CC)CC)cc2)cc1 ZINC000252462500 569184752 /nfs/dbraw/zinc/18/47/52/569184752.db2.gz STLPZBKWRGUEFT-UHFFFAOYSA-N 0 0 426.608 6.880 50 30 IKEARN Cc1sc(N=NCc2ccc(OC(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1 ZINC000252463247 569184755 /nfs/dbraw/zinc/18/47/55/569184755.db2.gz ZZGTUTLCECXOMB-UHFFFAOYSA-N 0 0 431.492 5.923 50 30 IKEARN COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)c1 ZINC000002130910 569184940 /nfs/dbraw/zinc/18/49/40/569184940.db2.gz KLOVVVTVQKMDMX-VHQYDUIRSA-N 0 0 426.468 5.598 50 30 biogenic IKEARN O=C(Oc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000002543293 569185834 /nfs/dbraw/zinc/18/58/34/569185834.db2.gz GDLFOVNGVZDJAJ-ZMOGYAJESA-N 0 0 427.888 5.019 50 30 IKEARN Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)c1 ZINC000002553513 569185836 /nfs/dbraw/zinc/18/58/36/569185836.db2.gz BXFYKVKEXOBKLH-WPWMEQJKSA-N 0 0 445.588 5.498 50 30 IKEARN C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1ccccc1C ZINC000002544622 569185888 /nfs/dbraw/zinc/18/58/88/569185888.db2.gz ATTPWVCDOBYQCR-UHFFFAOYSA-N 0 0 441.988 5.077 50 30 IKEARN CC(C)(C)C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 ZINC000002158811 569187280 /nfs/dbraw/zinc/18/72/80/569187280.db2.gz XBZDKGOIOSFKFB-UHFFFAOYSA-N 0 0 433.555 6.727 50 30 IKEARN N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000002164636 569188927 /nfs/dbraw/zinc/18/89/27/569188927.db2.gz YVEOFOWVGGOEFV-UUYOSTAYSA-N 0 0 446.915 6.032 50 30 IKEARN O=C1c2ccc([N+](=O)[O-])cc2N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 ZINC000002192416 569190760 /nfs/dbraw/zinc/19/07/60/569190760.db2.gz ULGSDNISNXSKFH-BLTFUYFMSA-N 0 0 441.274 5.502 50 30 IKEARN N#Cc1c(SCc2nc3ccccc3[nH]2)nsc1SCc1nc2ccccc2[nH]1 ZINC000002192491 569190830 /nfs/dbraw/zinc/19/08/30/569190830.db2.gz BNPWPVQZPHKKGJ-UHFFFAOYSA-N 0 0 434.575 5.352 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 ZINC000252589310 569191722 /nfs/dbraw/zinc/19/17/22/569191722.db2.gz AINQTJXLCMPTIW-DNKROPNVSA-N 0 0 428.557 6.062 50 30 IKEARN CCOc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252588670 569191740 /nfs/dbraw/zinc/19/17/40/569191740.db2.gz ADJNNHIPEIGAFE-DNKROPNVSA-N 0 0 428.557 6.511 50 30 IKEARN CC(=NOCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 ZINC000252589420 569191747 /nfs/dbraw/zinc/19/17/47/569191747.db2.gz AKOOWZMDMWNBHZ-UHFFFAOYSA-N 0 0 435.483 5.865 50 30 IKEARN COc1ccccc1/C=C1\SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000252592786 569192613 /nfs/dbraw/zinc/19/26/13/569192613.db2.gz BHJMIYJHPKGHJO-IXQMQDOZSA-N 0 0 442.584 6.737 50 30 IKEARN CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(CCOC)C1=O ZINC000252592754 569192649 /nfs/dbraw/zinc/19/26/49/569192649.db2.gz BGOFCPTWTLESKZ-SUOSWRNOSA-N 0 0 432.545 5.489 50 30 IKEARN COc1ccccc1/C=C1/SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000252592785 569192696 /nfs/dbraw/zinc/19/26/96/569192696.db2.gz BHJMIYJHPKGHJO-FOQODDTFSA-N 0 0 442.584 6.737 50 30 IKEARN Cc1ccccc1N=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1c1ccccc1C ZINC000252593550 569192783 /nfs/dbraw/zinc/19/27/83/569192783.db2.gz BKUSRCLCTMTBJE-NEAWXCLQSA-N 0 0 436.939 6.905 50 30 IKEARN COc1cc(C=Nc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252592770 569192851 /nfs/dbraw/zinc/19/28/51/569192851.db2.gz BGZCUHUTJGQSQM-UHFFFAOYSA-N 0 0 427.800 5.708 50 30 IKEARN COc1ccc(CN2C(=O)/C(=C\c3ccc(SC)cc3)SC2=Nc2ccccc2)cc1 ZINC000252594018 569192938 /nfs/dbraw/zinc/19/29/38/569192938.db2.gz BONVVIFJTJKCFX-MPVWDOOLSA-N 0 0 446.597 6.221 50 30 IKEARN Brc1ccc(-c2ccc(C=Nc3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 ZINC000252594126 569192958 /nfs/dbraw/zinc/19/29/58/569192958.db2.gz BPSQKYICWHFBQG-UHFFFAOYSA-N 0 0 443.300 7.268 50 30 IKEARN Cc1ccc(O)c(C=Nc2ccc(Oc3ccc(N=Cc4cc(C)ccc4O)cc3)cc2)c1 ZINC000252593864 569192979 /nfs/dbraw/zinc/19/29/79/569192979.db2.gz BNMMZHNTQUGUDE-UHFFFAOYSA-N 0 0 436.511 7.008 50 30 IKEARN Cc1c(N=Cc2nn(-c3ccccc3)cc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000252596079 569193170 /nfs/dbraw/zinc/19/31/70/569193170.db2.gz CGVSUPFFPUQZOJ-UHFFFAOYSA-N 0 0 433.515 5.088 50 30 IKEARN CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=Nc2ccc(OC)cc2)N(C)C1=O ZINC000252596227 569193189 /nfs/dbraw/zinc/19/31/89/569193189.db2.gz CHLBOIBYKICALE-IBORXNHRSA-N 0 0 439.581 5.174 50 30 IKEARN CCN(CC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)n1 ZINC000252596575 569193279 /nfs/dbraw/zinc/19/32/79/569193279.db2.gz CKSWAVBXTMPXFF-UHFFFAOYSA-N 0 0 444.370 5.083 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000252597781 569193405 /nfs/dbraw/zinc/19/34/05/569193405.db2.gz CVLCOTMAMDSXPO-MUJYFGONSA-N 0 0 434.492 5.652 50 30 IKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn32)o1 ZINC000252598777 569193506 /nfs/dbraw/zinc/19/35/06/569193506.db2.gz DDVNIZFMKOWAJV-UHFFFAOYSA-N 0 0 428.404 5.522 50 30 IKEARN Oc1cc(O)c(C=Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1Br ZINC000252598965 569193513 /nfs/dbraw/zinc/19/35/13/569193513.db2.gz DFSKPZKDUIZUFJ-UHFFFAOYSA-N 0 0 427.229 5.558 50 30 IKEARN C(=Nc1ccc2c(c1)ncn2-c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000252601397 569193750 /nfs/dbraw/zinc/19/37/50/569193750.db2.gz DZPQBVKHHBOOIB-UHFFFAOYSA-N 0 0 427.511 6.174 50 30 IKEARN CCn1c2cc(C)c(C)cc2nc1N=Cc1c2c(cc(C(C)(C)C)c1O)oc1c2CCCC1 ZINC000252600981 569193789 /nfs/dbraw/zinc/19/37/89/569193789.db2.gz DWPZGMQPYAXYQM-UHFFFAOYSA-N 0 0 443.591 7.052 50 30 IKEARN Cc1cc2c(cc1C=Nc1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2 ZINC000252601981 569193969 /nfs/dbraw/zinc/19/39/69/569193969.db2.gz FFCURMFIGBFHIR-UHFFFAOYSA-N 0 0 432.545 5.345 50 30 IKEARN C=CCn1cc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 ZINC000252602758 569194076 /nfs/dbraw/zinc/19/40/76/569194076.db2.gz FKXSELWWZVAVTQ-XKEFNESHSA-N 0 0 445.544 5.238 50 30 IKEARN Cc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000252603421 569194087 /nfs/dbraw/zinc/19/40/87/569194087.db2.gz FQVLSWDMJUPTCT-MUBJZNLVSA-N 0 0 440.612 7.346 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C ZINC000252603614 569194157 /nfs/dbraw/zinc/19/41/57/569194157.db2.gz FSNQOLKXMCXULO-YZWRYSEFSA-N 0 0 428.513 5.841 50 30 IKEARN CCOC(=O)CN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 ZINC000252603969 569194178 /nfs/dbraw/zinc/19/41/78/569194178.db2.gz FVUYCJKZSKFUJQ-UHFFFAOYSA-N 0 0 442.544 5.117 50 30 IKEARN COc1cccc2cc(-c3csc(NN=C(C)c4ccc(Cl)cc4)n3)c(=O)oc21 ZINC000252603979 569194194 /nfs/dbraw/zinc/19/41/94/569194194.db2.gz FVZDCSUEUKYLHR-UHFFFAOYSA-N 0 0 425.897 5.415 50 30 IKEARN CC(=O)ON=C(C)[C@]12C[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000252605156 569194284 /nfs/dbraw/zinc/19/42/84/569194284.db2.gz GGQIDQJAIYDGEX-BHHKCJQWSA-N 0 0 427.585 5.436 50 30 IKEARN CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc21 ZINC000252608156 569195259 /nfs/dbraw/zinc/19/52/59/569195259.db2.gz HHKCIZKVWZREIN-QLMUGPIMSA-N 0 0 433.558 5.539 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc21 ZINC000252608155 569195262 /nfs/dbraw/zinc/19/52/62/569195262.db2.gz HHKCIZKVWZREIN-JSYGVCDLSA-N 0 0 433.558 5.539 50 30 IKEARN O=[N+]([O-])c1cc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)ccc1Cl ZINC000252608603 569195332 /nfs/dbraw/zinc/19/53/32/569195332.db2.gz HLSNRBQKSWSFBT-UHFFFAOYSA-N 0 0 445.693 6.620 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000252609586 569195393 /nfs/dbraw/zinc/19/53/93/569195393.db2.gz HVDXBBFNUACQBW-UHFFFAOYSA-N 0 0 427.685 6.367 50 30 IKEARN CCC/N=C1C(=N\CCC)\SC(=NN=Cc2ccccc2O)N\1c1ccc(F)cc1 ZINC000252611528 569197262 /nfs/dbraw/zinc/19/72/62/569197262.db2.gz IKJDNYYQMRVVCM-BLLMTQLXSA-N 0 0 425.533 5.092 50 30 IKEARN O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=Nc2ccccc2)N1C1CC1 ZINC000252611345 569197306 /nfs/dbraw/zinc/19/73/06/569197306.db2.gz IJCKTLPHKMQYDC-BTXDWGDFSA-N 0 0 438.350 5.697 50 30 IKEARN O=C(ON=C1CCCc2c3cc(C4CCCCC4)ccc3[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000252613899 569197415 /nfs/dbraw/zinc/19/74/15/569197415.db2.gz JEJISTTXHDGUTC-UHFFFAOYSA-N 0 0 431.492 6.021 50 30 IKEARN Cc1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)ccc3o2)cc1 ZINC000252613711 569197434 /nfs/dbraw/zinc/19/74/34/569197434.db2.gz JDBFIODEXNKCJN-UHFFFAOYSA-N 0 0 447.321 8.121 50 30 IKEARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000252612469 569197442 /nfs/dbraw/zinc/19/74/42/569197442.db2.gz IUCQQKDEQJTAID-UHFFFAOYSA-N 0 0 431.404 5.199 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000252614397 569197517 /nfs/dbraw/zinc/19/75/17/569197517.db2.gz JIPUVBHDVDMKSR-KXSRYFARSA-N 0 0 446.956 5.323 50 30 IKEARN CC(=O)Nc1ccc(N=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000252614475 569197597 /nfs/dbraw/zinc/19/75/97/569197597.db2.gz JKAHSOXJGAFGCN-UHFFFAOYSA-N 0 0 437.293 5.377 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000252614396 569197601 /nfs/dbraw/zinc/19/76/01/569197601.db2.gz JIPUVBHDVDMKSR-CIOOEQDQSA-N 0 0 446.956 5.323 50 30 IKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000252617283 569197648 /nfs/dbraw/zinc/19/76/48/569197648.db2.gz KPSOFTOEQSZFRM-UHFFFAOYSA-N 0 0 444.196 6.626 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252616595 569197658 /nfs/dbraw/zinc/19/76/58/569197658.db2.gz KBLXMUMJJKKJAP-KISRHMMLSA-N 0 0 430.548 6.759 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1CC ZINC000252616325 569197707 /nfs/dbraw/zinc/19/77/07/569197707.db2.gz JZPDBACNEOGMFU-SIFMURAYSA-N 0 0 428.557 6.326 50 30 IKEARN Clc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl ZINC000252616666 569197731 /nfs/dbraw/zinc/19/77/31/569197731.db2.gz KDEOOYRWKMDXQY-UHFFFAOYSA-N 0 0 442.354 5.358 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000252617897 569197807 /nfs/dbraw/zinc/19/78/07/569197807.db2.gz LATHMBIBTZXTOU-KLJDGLGGSA-N 0 0 433.486 5.544 50 30 IKEARN O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000252617474 569197867 /nfs/dbraw/zinc/19/78/67/569197867.db2.gz KTNNCXFRXTVYMR-UHFFFAOYSA-N 0 0 441.468 6.187 50 30 IKEARN CN1c2cc(Cl)ccc2S/C1=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252618126 569197956 /nfs/dbraw/zinc/19/79/56/569197956.db2.gz LEGFWWCGZGFWME-XJIBWINFSA-N 0 0 449.988 6.519 50 30 IKEARN CC[C@H](C)Oc1c(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC ZINC000252619145 569198155 /nfs/dbraw/zinc/19/81/55/569198155.db2.gz LNIFIALKAWDNAG-RYUSHCTJSA-N 0 0 440.565 5.123 50 30 IKEARN COCCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc32)SC1=Nc1ccccc1 ZINC000252619433 569198174 /nfs/dbraw/zinc/19/81/74/569198174.db2.gz LPEWYPMWXQNSGF-MPVWDOOLSA-N 0 0 448.544 5.107 50 30 IKEARN CCOc1ccccc1NC(=O)CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252618609 569198184 /nfs/dbraw/zinc/19/81/84/569198184.db2.gz LIPNXQLBCIZNOH-JOCHJYFZSA-N 0 0 445.544 5.250 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2)N(CC)C1=O ZINC000252620133 569199173 /nfs/dbraw/zinc/19/91/73/569199173.db2.gz LXYQEMYXQSEUKH-DNKROPNVSA-N 0 0 430.573 6.561 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1Cl ZINC000252620339 569199285 /nfs/dbraw/zinc/19/92/85/569199285.db2.gz MCCPLJFOMYLEGK-XOLKAKTPSA-N 0 0 442.968 5.927 50 30 IKEARN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000252621530 569201610 /nfs/dbraw/zinc/20/16/10/569201610.db2.gz NAPOFXOYNJXIQX-GCNWNYGFSA-N 0 0 444.556 6.216 50 30 IKEARN Cc1nnc(N=C(N2N=C(C)S[C@H]2c2ccc(C)cc2)N2CCc3ccccc3C2)s1 ZINC000252621055 569201619 /nfs/dbraw/zinc/20/16/19/569201619.db2.gz MRYZLGGBZOLKEJ-NRFANRHFSA-N 0 0 448.621 5.282 50 30 IKEARN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000252620932 569201654 /nfs/dbraw/zinc/20/16/54/569201654.db2.gz MPKUGXXCDXKNSL-ZQXLJOGCSA-N 0 0 430.529 5.826 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C ZINC000252621023 569201688 /nfs/dbraw/zinc/20/16/88/569201688.db2.gz MRDUCHUHMFQMJK-UYJNXHFOSA-N 0 0 426.585 7.235 50 30 IKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O ZINC000252621799 569201772 /nfs/dbraw/zinc/20/17/72/569201772.db2.gz NGXRSFDDJYYEKR-GUGSDYAWSA-N 0 0 444.556 6.216 50 30 IKEARN Clc1ccccc1-c1nc2cc(N=C/C=C\c3ccc(Br)cc3)ccc2o1 ZINC000252623004 569201874 /nfs/dbraw/zinc/20/18/74/569201874.db2.gz OHPYJYQMIULWFR-HRPWZSTBSA-N 0 0 437.724 7.326 50 30 IKEARN O=[N+]([O-])c1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn43)o2)c(Cl)c1 ZINC000252622659 569201888 /nfs/dbraw/zinc/20/18/88/569201888.db2.gz NZUWERNBMZBVHC-UHFFFAOYSA-N 0 0 432.823 6.167 50 30 IKEARN Cc1c(N=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000252622534 569201908 /nfs/dbraw/zinc/20/19/08/569201908.db2.gz NXQGDFSZBZGREB-UHFFFAOYSA-N 0 0 445.906 5.108 50 30 IKEARN Clc1ccccc1-c1nc2cc(N=C/C=C/c3ccc(Br)cc3)ccc2o1 ZINC000252623003 569201913 /nfs/dbraw/zinc/20/19/13/569201913.db2.gz OHPYJYQMIULWFR-HELKRTJESA-N 0 0 437.724 7.326 50 30 IKEARN COc1ccc(C=NOC(=O)COc2cccc(Cl)c2)cc1COc1ccc(F)cc1 ZINC000252623656 569202167 /nfs/dbraw/zinc/20/21/67/569202167.db2.gz OWJKLMOYEVTDJW-UHFFFAOYSA-N 0 0 443.858 5.023 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(Cl)cc1 ZINC000252623708 569202186 /nfs/dbraw/zinc/20/21/86/569202186.db2.gz OXQMEXUSNHIDJV-GSKQFGKRSA-N 0 0 431.970 5.343 50 30 IKEARN CSc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252623369 569202187 /nfs/dbraw/zinc/20/21/87/569202187.db2.gz OPLJQUSNFAWQNM-MPVWDOOLSA-N 0 0 430.598 6.834 50 30 IKEARN Cc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 ZINC000252623858 569202297 /nfs/dbraw/zinc/20/22/97/569202297.db2.gz PAYRFYHAYXRJCI-HOOGSHDOSA-N 0 0 439.540 5.680 50 30 IKEARN CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1cccc2ncccc12 ZINC000252623979 569202657 /nfs/dbraw/zinc/20/26/57/569202657.db2.gz PDKWFJVQQMJIRQ-CVJJEBQVSA-N 0 0 432.574 5.619 50 30 IKEARN CCOc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O ZINC000252624185 569202677 /nfs/dbraw/zinc/20/26/77/569202677.db2.gz PINVISQOLIUBCR-MLSYBWHESA-N 0 0 444.556 6.216 50 30 IKEARN COc1ccc(CN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=Nc2ccccc2)cc1 ZINC000252625936 569203171 /nfs/dbraw/zinc/20/31/71/569203171.db2.gz QSHQBXVYRIWIJZ-LAJNNLEESA-N 0 0 445.500 5.408 50 30 IKEARN COc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=Nc2ccccc2)cc1 ZINC000252625935 569203182 /nfs/dbraw/zinc/20/31/82/569203182.db2.gz QSHQBXVYRIWIJZ-IBORXNHRSA-N 0 0 445.500 5.408 50 30 IKEARN Cc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252625173 569203191 /nfs/dbraw/zinc/20/31/91/569203191.db2.gz QEPHNXKTLMAJFR-YZWRYSEFSA-N 0 0 428.513 5.841 50 30 IKEARN Cc1cc2nc(-c3cccc(N=C/C=C\c4cccc(Br)c4)c3)oc2c(C)c1 ZINC000252625965 569203205 /nfs/dbraw/zinc/20/32/05/569203205.db2.gz QTDZWJFNXCCVQT-XYDYVDLRSA-N 0 0 431.333 7.290 50 30 IKEARN O=C(Nc1ccc(N=C/C=C/c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000252627042 569203295 /nfs/dbraw/zinc/20/32/95/569203295.db2.gz RKVOIYPIDGWDSG-VPBYINSUSA-N 0 0 429.734 7.315 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002215537 569203329 /nfs/dbraw/zinc/20/33/29/569203329.db2.gz FEIMNYRGYCVUEN-UHFFFAOYSA-N 0 0 445.954 5.907 50 30 IKEARN CCOc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000252626800 569203398 /nfs/dbraw/zinc/20/33/98/569203398.db2.gz RFVVUCLNNPKHOI-GQUXDKRHSA-N 0 0 444.556 6.216 50 30 IKEARN CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1 ZINC000252627401 569203542 /nfs/dbraw/zinc/20/35/42/569203542.db2.gz RTLJLZDGBLFTKC-FUSVKQJLSA-N 0 0 426.538 5.117 50 30 IKEARN COc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000252628547 569203659 /nfs/dbraw/zinc/20/36/59/569203659.db2.gz SSOHTJSQYFYSSO-MMKHHPBPSA-N 0 0 428.557 5.850 50 30 IKEARN S=C(NN=Cc1ccc(Cl)cc1Cl)NC1c2ccccc2Oc2ccccc21 ZINC000252628295 569203704 /nfs/dbraw/zinc/20/37/04/569203704.db2.gz SMYQABHVRVYBGC-UHFFFAOYSA-N 0 0 428.344 5.687 50 30 IKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C ZINC000252628815 569203754 /nfs/dbraw/zinc/20/37/54/569203754.db2.gz SYKIJTGLLQMAQW-SIFMURAYSA-N 0 0 444.556 6.291 50 30 IKEARN CCOc1ccc(C=Nc2nc(C(F)(F)F)c(-c3ccc4ccccc4n3)s2)cc1 ZINC000252629041 569203757 /nfs/dbraw/zinc/20/37/57/569203757.db2.gz TXNMYTCFCSGBMW-UHFFFAOYSA-N 0 0 427.451 6.526 50 30 IKEARN O=C1CCCC/C1=C1/SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252629911 569203904 /nfs/dbraw/zinc/20/39/04/569203904.db2.gz UQFVZTVHLXGIEC-GYYLHCQHSA-N 0 0 437.568 7.055 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cc(Cl)ccc1C ZINC000252629365 569203934 /nfs/dbraw/zinc/20/39/34/569203934.db2.gz UELOCFQDPDIFTQ-IBGZPJMESA-N 0 0 427.957 5.103 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1 ZINC000252630267 569204050 /nfs/dbraw/zinc/20/40/50/569204050.db2.gz UYEFUCBMVPRGOI-HOMYTQLHSA-N 0 0 446.956 5.467 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1 ZINC000252630266 569204053 /nfs/dbraw/zinc/20/40/53/569204053.db2.gz UYEFUCBMVPRGOI-GIFQUSADSA-N 0 0 446.956 5.467 50 30 IKEARN O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)NCCc1ccccc1 ZINC000252630458 569204070 /nfs/dbraw/zinc/20/40/70/569204070.db2.gz VABQBJFUZNLOKJ-UHFFFAOYSA-N 0 0 447.585 5.204 50 30 IKEARN Cc1ccc2oc(-c3cccc(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc54)c3C)nc2c1 ZINC000252630190 569204074 /nfs/dbraw/zinc/20/40/74/569204074.db2.gz UWTOZTJZJWDZBR-UHFFFAOYSA-N 0 0 437.455 6.629 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000252631404 569204438 /nfs/dbraw/zinc/20/44/38/569204438.db2.gz VKSDRAQNEXCQDF-AGSYOJIDSA-N 0 0 425.488 7.116 50 30 IKEARN COC(=O)c1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000252631834 569204601 /nfs/dbraw/zinc/20/46/01/569204601.db2.gz VMWGBDZMGOXHLP-MLSYBWHESA-N 0 0 442.540 5.899 50 30 IKEARN O=C(Oc1ccc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1)c1ccco1 ZINC000252631989 569204688 /nfs/dbraw/zinc/20/46/88/569204688.db2.gz VNTJKZNWCYVSFE-UHFFFAOYSA-N 0 0 442.858 6.711 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2ccc(C)cc2)C(=O)N1c1ccccc1CC ZINC000252632834 569204808 /nfs/dbraw/zinc/20/48/08/569204808.db2.gz VXHMWLUKQHOKRS-OFGWUVNBSA-N 0 0 426.585 6.928 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccc(C)c(C)c1 ZINC000252632670 569205035 /nfs/dbraw/zinc/20/50/35/569205035.db2.gz VWJDRYKVGRMRDT-IBGZPJMESA-N 0 0 429.973 5.245 50 30 IKEARN Oc1cc(N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 ZINC000252633125 569205588 /nfs/dbraw/zinc/20/55/88/569205588.db2.gz VZVIXTXZGMNUNK-BLHKWVJFSA-N 0 0 425.340 7.391 50 30 IKEARN COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O ZINC000252634464 569206379 /nfs/dbraw/zinc/20/63/79/569206379.db2.gz WOBPYWLILPGBNJ-XKEFNESHSA-N 0 0 430.529 5.826 50 30 IKEARN O=C1c2ccccc2N[C@H](c2cccc3cccnc32)N1N=Cc1cccc2cccnc12 ZINC000252634649 569207570 /nfs/dbraw/zinc/20/75/70/569207570.db2.gz WPVWBYOJTFBRAC-SANMLTNESA-N 0 0 429.483 5.384 50 30 IKEARN CCCCc1cc(CCCC)nc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000252634836 569207789 /nfs/dbraw/zinc/20/77/89/569207789.db2.gz WRRUFYVWLPFFTB-UHFFFAOYSA-N 0 0 438.660 6.908 50 30 IKEARN CCCCCCCCCc1nc2sc3c(c2c(SCC(N)=O)n1)CC(C)(C)OC3 ZINC000002228100 569207976 /nfs/dbraw/zinc/20/79/76/569207976.db2.gz LTULUJKNYZKZCF-UHFFFAOYSA-N 0 0 435.659 6.463 50 30 IKEARN O=C(NC1CCCCC1)c1c(N=Cc2cccc(Cl)c2Cl)sc2c1CCCC2 ZINC000252636334 569208097 /nfs/dbraw/zinc/20/80/97/569208097.db2.gz XHJRXSMLTWHYRJ-UHFFFAOYSA-N 0 0 435.420 6.747 50 30 IKEARN Cc1ccc(N=C2S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252638029 569208284 /nfs/dbraw/zinc/20/82/84/569208284.db2.gz XYYLBIODGXJWHQ-NARSBJQYSA-N 0 0 426.585 7.235 50 30 IKEARN Cc1ccc2oc(-c3cccc(N=Cc4cc5c(cc4Br)OCO5)c3C)nc2c1 ZINC000252638402 569208316 /nfs/dbraw/zinc/20/83/16/569208316.db2.gz YCAWLUWDXCXSTB-UHFFFAOYSA-N 0 0 449.304 6.353 50 30 IKEARN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=Nc1ccccc1 ZINC000252638268 569208318 /nfs/dbraw/zinc/20/83/18/569208318.db2.gz YAQQDEQVRJHYNY-SUOSWRNOSA-N 0 0 431.561 5.345 50 30 IKEARN Clc1ccc(C=Nc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)o1 ZINC000252638916 569208325 /nfs/dbraw/zinc/20/83/25/569208325.db2.gz YHCNJIRAIDAGSH-UHFFFAOYSA-N 0 0 443.333 8.219 50 30 IKEARN O=[N+]([O-])c1ccc(Cn2cc(C=Nc3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 ZINC000252639306 569208344 /nfs/dbraw/zinc/20/83/44/569208344.db2.gz YJAKOAMKUVHCJK-UHFFFAOYSA-N 0 0 440.503 5.185 50 30 IKEARN O=C1/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252640211 569208526 /nfs/dbraw/zinc/20/85/26/569208526.db2.gz YRJOGAFYKIZWSR-HLSCJSBPSA-N 0 0 446.400 6.191 50 30 IKEARN CSc1nnc(-c2ccccc2)n1N=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000252640749 569208660 /nfs/dbraw/zinc/20/86/60/569208660.db2.gz YWTTXIPPIQOKRK-UHFFFAOYSA-N 0 0 428.439 5.828 50 30 IKEARN Cc1cc(Br)c(O)c(C=Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000252641145 569209362 /nfs/dbraw/zinc/20/93/62/569209362.db2.gz ZAKNNVYAFPNNGJ-UHFFFAOYSA-N 0 0 441.712 6.675 50 30 IKEARN N#Cc1c2c(sc1N=c1oc3ccccc3cc1C(=O)Nc1ccccc1F)CCCC2 ZINC000252666502 569209715 /nfs/dbraw/zinc/20/97/15/569209715.db2.gz BRAMISPCCLCSJD-UHFFFAOYSA-N 0 0 443.503 5.869 50 30 IKEARN C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=Nc1ccc(C)cc1 ZINC000252676175 569210353 /nfs/dbraw/zinc/21/03/53/569210353.db2.gz WGGDGPOSHQUTFQ-UHFFFAOYSA-N 0 0 434.649 7.244 50 30 IKEARN COc1ccc(/C=C2\CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000252694478 569210901 /nfs/dbraw/zinc/21/09/01/569210901.db2.gz LHZZMHLXKOFUGQ-DLJCHUHSSA-N 0 0 448.559 5.477 50 30 biogenic IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000252695081 569211051 /nfs/dbraw/zinc/21/10/51/569211051.db2.gz UOCUEIOMIAYZNI-MYRQUBGUSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN Oc1ccc(Br)cc1/C=N/c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000003102947 569213066 /nfs/dbraw/zinc/21/30/66/569213066.db2.gz QEJSRCALHGNRCK-FOKLQQMPSA-N 0 0 427.685 6.367 50 30 IKEARN CCCCOC(=O)c1ccc(/N=C/c2cc(C)cc(I)c2O)cc1 ZINC000003131247 569213267 /nfs/dbraw/zinc/21/32/67/569213267.db2.gz AWEAVGBQCWAPLK-CIAFOILYSA-N 0 0 437.277 5.013 50 30 IKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000003112973 569213298 /nfs/dbraw/zinc/21/32/98/569213298.db2.gz NPQPNYDLWPWHJT-FSJBWODESA-N 0 0 436.265 6.225 50 30 IKEARN CCCCCCCCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002250924 569213840 /nfs/dbraw/zinc/21/38/40/569213840.db2.gz ALOPEXGCUSQYQT-UHFFFAOYSA-N 0 0 443.595 5.766 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 ZINC000002252228 569214157 /nfs/dbraw/zinc/21/41/57/569214157.db2.gz JCQFDSHQQLOBFC-GOSISDBHSA-N 0 0 426.607 5.521 50 30 IKEARN CCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C(C)C)cc2)c2nc3ccccc3nc21 ZINC000002247872 569214612 /nfs/dbraw/zinc/21/46/12/569214612.db2.gz MGAWLYYPIHYBDR-MUFRIFMGSA-N 0 0 442.567 5.092 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000002259235 569215439 /nfs/dbraw/zinc/21/54/39/569215439.db2.gz XFDTZFCNPVJKED-HMUJPTBDSA-N 0 0 429.589 6.091 50 30 IKEARN Cc1ccc(Nc2nc3no[nH]c-3nc2=NN=Cc2ccc(Cl)cc2Cl)cc1C ZINC000027500046 569216483 /nfs/dbraw/zinc/21/64/83/569216483.db2.gz NQBUJPRIXIZWBX-LSFURLLWSA-N 0 0 428.283 5.126 50 30 IKEARN C=C(C)Cn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002253580 569216587 /nfs/dbraw/zinc/21/65/87/569216587.db2.gz RNCCOPQFVAJILX-UHFFFAOYSA-N 0 0 442.628 6.455 50 30 IKEARN COC(=O)OCc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002270816 569217159 /nfs/dbraw/zinc/21/71/59/569217159.db2.gz WVXPUNLPEJZMQM-UHFFFAOYSA-N 0 0 438.520 5.370 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000002273402 569217760 /nfs/dbraw/zinc/21/77/60/569217760.db2.gz NWSONGAQAWTJGO-SSEXGKCCSA-N 0 0 431.535 7.092 50 30 IKEARN O=C(Nc1ccc(F)c(Cl)c1)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002277167 569217902 /nfs/dbraw/zinc/21/79/02/569217902.db2.gz UZVXKFBDLYJWFB-UHFFFAOYSA-N 0 0 448.697 5.640 50 30 IKEARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)o1 ZINC000027519520 569218132 /nfs/dbraw/zinc/21/81/32/569218132.db2.gz UUPXXSGBQLLEAH-ODLFYWEKSA-N 0 0 439.880 5.708 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000036370848 569257765 /nfs/dbraw/zinc/25/77/65/569257765.db2.gz BKOGUJNRCSWUNA-IOXAISTQSA-N 0 0 446.653 5.473 50 30 IKEARN C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O ZINC000253406714 569265359 /nfs/dbraw/zinc/26/53/59/569265359.db2.gz JDWJFRUHQILALZ-ZIHVZMLCSA-N 0 0 428.440 5.292 50 30 biogenic IKEARN C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O ZINC000253406712 569265364 /nfs/dbraw/zinc/26/53/64/569265364.db2.gz JDWJFRUHQILALZ-JJUBJSHISA-N 0 0 428.440 5.292 50 30 biogenic IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Br)c1 ZINC000239235319 569268630 /nfs/dbraw/zinc/26/86/30/569268630.db2.gz VTNNTZKPGDKDRD-UHFFFAOYSA-N 0 0 428.142 5.185 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 ZINC000239309873 569268726 /nfs/dbraw/zinc/26/87/26/569268726.db2.gz HWIHXMLIRVYVIF-QFZRFWILSA-N 0 0 438.612 6.248 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccccc1OC ZINC000245225950 569269461 /nfs/dbraw/zinc/26/94/61/569269461.db2.gz AZMIHVADQVAYIW-UHFFFAOYSA-N 0 0 431.517 5.489 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000245238352 569269528 /nfs/dbraw/zinc/26/95/28/569269528.db2.gz LJQHVTRFOZQNII-HIHCUNAASA-N 0 0 444.537 6.592 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000245239307 569269553 /nfs/dbraw/zinc/26/95/53/569269553.db2.gz HNTMKSKJRZRWKS-AJKAXUQTSA-N 0 0 444.637 5.681 50 30 biogenic IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000245238351 569269561 /nfs/dbraw/zinc/26/95/61/569269561.db2.gz LJQHVTRFOZQNII-ATANXXGXSA-N 0 0 444.537 6.592 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000245253925 569269698 /nfs/dbraw/zinc/26/96/98/569269698.db2.gz SZBWKZHLROZHJQ-IEOJDNJFSA-N 0 0 432.560 5.831 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21 ZINC000248114362 569270362 /nfs/dbraw/zinc/27/03/62/569270362.db2.gz ZJUABQDERHSYQM-OYHZZYGJSA-N 0 0 440.605 5.634 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21 ZINC000248114358 569270412 /nfs/dbraw/zinc/27/04/12/569270412.db2.gz ZJUABQDERHSYQM-JMTTVTNBSA-N 0 0 440.605 5.634 50 30 IKEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000252394538 569271155 /nfs/dbraw/zinc/27/11/55/569271155.db2.gz PRKCVHTUMSBLLS-UHFFFAOYSA-N 0 0 443.363 5.225 50 30 IKEARN Fc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000252394420 569271157 /nfs/dbraw/zinc/27/11/57/569271157.db2.gz JSDFGTCPPGRDHW-UHFFFAOYSA-N 0 0 446.132 5.324 50 30 IKEARN Cc1ccccc1[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2 ZINC000027547290 569271255 /nfs/dbraw/zinc/27/12/55/569271255.db2.gz JVRWCERNINRVAY-QFIPXVFZSA-N 0 0 440.465 5.620 50 30 IKEARN Cc1ccsc1[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2 ZINC000027547689 569271274 /nfs/dbraw/zinc/27/12/74/569271274.db2.gz NRPBZKZATKYGSE-FQEVSTJZSA-N 0 0 446.494 5.682 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027547232 569271314 /nfs/dbraw/zinc/27/13/14/569271314.db2.gz AYQVTXATXUWCMP-JOCHJYFZSA-N 0 0 440.465 5.620 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027547236 569271331 /nfs/dbraw/zinc/27/13/31/569271331.db2.gz AYQVTXATXUWCMP-QFIPXVFZSA-N 0 0 440.465 5.620 50 30 IKEARN O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 ZINC000002306127 569271633 /nfs/dbraw/zinc/27/16/33/569271633.db2.gz AJJLZQJXFPNRAY-ZEQRLZLVSA-N 0 0 440.854 5.247 50 30 IKEARN Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002305819 569271696 /nfs/dbraw/zinc/27/16/96/569271696.db2.gz LTXNXMNFENGWCH-XKZIYDEJSA-N 0 0 435.980 6.256 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000252628827 569271921 /nfs/dbraw/zinc/27/19/21/569271921.db2.gz SYSLHZGKUNLUIS-UCLUCITFSA-N 0 0 442.968 5.522 50 30 IKEARN Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000002309931 569272089 /nfs/dbraw/zinc/27/20/89/569272089.db2.gz LFFNLDFKINXSEI-RPPGKUMJSA-N 0 0 436.968 5.280 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002315644 569272453 /nfs/dbraw/zinc/27/24/53/569272453.db2.gz UHJJUKFIROBXOD-UHFFFAOYSA-N 0 0 442.323 6.056 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@]43C)[C@H]1CCC2=O ZINC000253499202 569272832 /nfs/dbraw/zinc/27/28/32/569272832.db2.gz HESAJDXBMHQLJH-UGDXGDCNSA-N 0 0 445.434 7.293 50 30 biogenic IKEARN CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253505575 569272959 /nfs/dbraw/zinc/27/29/59/569272959.db2.gz GGQIDQJAIYDGEX-LSHGJVDWSA-N 0 0 427.585 5.436 50 30 biogenic IKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 ZINC000002320064 569273608 /nfs/dbraw/zinc/27/36/08/569273608.db2.gz FIZRWWQVCBKOJZ-NWIBBQCFSA-N 0 0 445.972 5.027 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@]21C ZINC000254385791 569273794 /nfs/dbraw/zinc/27/37/94/569273794.db2.gz CYPQELKXBYBDOE-ONZRNCOXSA-N 0 0 446.628 5.154 50 30 IKEARN CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000254302376 569273818 /nfs/dbraw/zinc/27/38/18/569273818.db2.gz HTZDJVPKUOXQMG-HYZZZALXSA-N 0 0 442.684 7.139 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]21C ZINC000254611908 569273913 /nfs/dbraw/zinc/27/39/13/569273913.db2.gz HAHDDRPLUQXNKO-MRKMJYKLSA-N 0 0 442.596 5.186 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]21C ZINC000254611907 569273950 /nfs/dbraw/zinc/27/39/50/569273950.db2.gz HAHDDRPLUQXNKO-MOWMVBNASA-N 0 0 442.596 5.186 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 ZINC000002334893 569274695 /nfs/dbraw/zinc/27/46/95/569274695.db2.gz VAKSSZJZCBSMCS-SFHVURJKSA-N 0 0 430.552 5.903 50 30 IKEARN C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002343830 569275300 /nfs/dbraw/zinc/27/53/00/569275300.db2.gz CPNUWCVGVBRFDY-UHFFFAOYSA-N 0 0 430.598 6.092 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348659 569280304 /nfs/dbraw/zinc/28/03/04/569280304.db2.gz HVEXIRSOIACQFA-ZDZHHBAESA-N 0 0 430.677 7.378 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348902 569280312 /nfs/dbraw/zinc/28/03/12/569280312.db2.gz JVBJMRIVVNLPKI-UKCISVJFSA-N 0 0 433.677 6.024 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1)[C@@H]1CC[C@@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3 ZINC000257349210 569280399 /nfs/dbraw/zinc/28/03/99/569280399.db2.gz MNPFRDKDRKYDAA-VXVRWMISSA-N 0 0 442.684 7.283 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257349963 569280507 /nfs/dbraw/zinc/28/05/07/569280507.db2.gz SWTNFHMWIPZFLE-SNTQMXGVSA-N 0 0 448.647 6.860 50 30 IKEARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350122 569280525 /nfs/dbraw/zinc/28/05/25/569280525.db2.gz UXGWFWJQNSRBBQ-QQABTQGOSA-N 0 0 426.685 7.895 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 ZINC000257350205 569280544 /nfs/dbraw/zinc/28/05/44/569280544.db2.gz VOPZSPZAIPUPAF-WROCLWCASA-N 0 0 444.637 5.681 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@@H]23)cc1 ZINC000257350147 569280594 /nfs/dbraw/zinc/28/05/94/569280594.db2.gz VBLKGSKRRMCRKY-STSOKTRESA-N 0 0 444.637 5.681 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 ZINC000257355591 569280777 /nfs/dbraw/zinc/28/07/77/569280777.db2.gz BMEDGGDZYCTQMO-BKIUCWPRSA-N 0 0 442.621 5.601 50 30 IKEARN C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O ZINC000257357610 569280821 /nfs/dbraw/zinc/28/08/21/569280821.db2.gz PBCULPOTNCGYFY-MSLHOTIOSA-N 0 0 442.596 5.328 50 30 IKEARN C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@@H]2C)CC1=O ZINC000257356411 569280839 /nfs/dbraw/zinc/28/08/39/569280839.db2.gz HVPFVUHFUULZFU-WJFGYLIDSA-N 0 0 434.693 5.641 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257357700 569281003 /nfs/dbraw/zinc/28/10/03/569281003.db2.gz PMBSWZWCNKVWLV-VMKKCOKRSA-N 0 0 442.684 7.139 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253498652 569283170 /nfs/dbraw/zinc/28/31/70/569283170.db2.gz IBHLVHLIYYDTRV-NXCVOOECSA-N 0 0 439.728 8.494 50 30 biogenic IKEARN CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000253500189 569283421 /nfs/dbraw/zinc/28/34/21/569283421.db2.gz YSSYRCSUIQKJPD-SNUVQQOMSA-N 0 0 444.700 7.651 50 30 biogenic IKEARN CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253501614 569283600 /nfs/dbraw/zinc/28/36/00/569283600.db2.gz NKJYZYWCGKSMSV-XUESUMGVSA-N 0 0 442.640 6.360 50 30 IKEARN C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000253531730 569283945 /nfs/dbraw/zinc/28/39/45/569283945.db2.gz BZDQWOZFIUXHLF-SGBNRSCDSA-N 0 0 434.576 5.578 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000253532006 569284009 /nfs/dbraw/zinc/28/40/09/569284009.db2.gz IKAYYSYGCHKPAB-KFLZDCCFSA-N 0 0 443.716 6.987 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)C2=O ZINC000253532420 569284037 /nfs/dbraw/zinc/28/40/37/569284037.db2.gz OMJIZRMQBBHMOY-QRSAIELUSA-N 0 0 441.453 7.444 50 30 IKEARN CC(=O)Nc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000000634583 569284907 /nfs/dbraw/zinc/28/49/07/569284907.db2.gz FGSMCNSAGSLONI-UHFFFAOYSA-N 0 0 445.526 5.960 50 30 IKEARN COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)cc1OC ZINC000000687017 569285091 /nfs/dbraw/zinc/28/50/91/569285091.db2.gz DUPVIGUUZNPLGT-UHFFFAOYSA-N 0 0 443.528 5.721 50 30 IKEARN COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)c(C#N)c1C ZINC000000689280 569285092 /nfs/dbraw/zinc/28/50/92/569285092.db2.gz MJGVBQSYDXEURX-UHFFFAOYSA-N 0 0 441.512 5.491 50 30 IKEARN CCOc1ccc(N=C(C)/C=C2/SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157277 569285690 /nfs/dbraw/zinc/28/56/90/569285690.db2.gz SWONQMMWZNRXGB-USRLXUPTSA-N 0 0 430.573 6.118 50 30 IKEARN CCOc1ccc(N=C(C)/C=C2\SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157275 569285702 /nfs/dbraw/zinc/28/57/02/569285702.db2.gz SWONQMMWZNRXGB-CZRUQARZSA-N 0 0 430.573 6.118 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000002356454 569286017 /nfs/dbraw/zinc/28/60/17/569286017.db2.gz ZPBMBACIKDGMLR-DJJQPEHWSA-N 0 0 429.973 5.373 50 30 IKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cc(F)c(F)c(F)c1F ZINC000002361405 569287624 /nfs/dbraw/zinc/28/76/24/569287624.db2.gz FFBABYXJLGUEKZ-MFOYZWKCSA-N 0 0 430.378 5.792 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S ZINC000002362725 569287853 /nfs/dbraw/zinc/28/78/53/569287853.db2.gz XTVKCSWGBRAPIZ-STZFKDTASA-N 0 0 447.585 5.244 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc21 ZINC000002371831 569289085 /nfs/dbraw/zinc/28/90/85/569289085.db2.gz HBHARBUWBQALLU-UHFFFAOYSA-N 0 0 444.535 5.486 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21 ZINC000002373698 569289222 /nfs/dbraw/zinc/28/92/22/569289222.db2.gz QYCYSWIJDNCLGW-UHFFFAOYSA-N 0 0 430.552 5.900 50 30 IKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000008386258 569289635 /nfs/dbraw/zinc/28/96/35/569289635.db2.gz MYLRRMCIZNUWJQ-UHFFFAOYSA-N 0 0 426.972 7.541 50 30 IKEARN N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1cccs1)-c1ccccc1C2=O ZINC000008411818 569289681 /nfs/dbraw/zinc/28/96/81/569289681.db2.gz BLIRSHDZPHXMCO-UHFFFAOYSA-N 0 0 438.533 5.868 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(SCc2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000008426362 569289687 /nfs/dbraw/zinc/28/96/87/569289687.db2.gz NSFPEBNCRVKXMU-UHFFFAOYSA-N 0 0 425.944 6.972 50 30 IKEARN CCOC(=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000008441082 569289773 /nfs/dbraw/zinc/28/97/73/569289773.db2.gz FMRRZXRRQDQSFC-UHFFFAOYSA-N 0 0 432.545 5.650 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCSCc1ccccc1 ZINC000008448609 569289787 /nfs/dbraw/zinc/28/97/87/569289787.db2.gz VIQSWFZUXJOSHG-UHFFFAOYSA-N 0 0 438.621 7.313 50 30 IKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC3CCCCC3)n2)cc1 ZINC000008445785 569289834 /nfs/dbraw/zinc/28/98/34/569289834.db2.gz DOKDMEICTIOQNM-UHFFFAOYSA-N 0 0 449.019 7.622 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccccc2)nc(-c2ccccc2)cc1-c1cccs1 ZINC000008451074 569289881 /nfs/dbraw/zinc/28/98/81/569289881.db2.gz DAKKPGLQMOPWPR-UHFFFAOYSA-N 0 0 427.554 6.080 50 30 IKEARN N#Cc1c(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)sc1Nc1cccc(C(F)(F)F)c1 ZINC000008451010 569289916 /nfs/dbraw/zinc/28/99/16/569289916.db2.gz QSDFWDHGLCXXAQ-UHFFFAOYSA-N 0 0 445.510 6.363 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(C(F)F)nc1SCc1cc2c(cc1Cl)OCO2 ZINC000008455948 569289958 /nfs/dbraw/zinc/28/99/58/569289958.db2.gz AYZJUSPDVOLENV-UHFFFAOYSA-N 0 0 430.863 6.232 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1-c1ccccc1)COCC2 ZINC000008706712 569290067 /nfs/dbraw/zinc/29/00/67/569290067.db2.gz UNOAIEXAERSESG-UHFFFAOYSA-N 0 0 435.936 5.077 50 30 IKEARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2n1 ZINC000008745375 569290144 /nfs/dbraw/zinc/29/01/44/569290144.db2.gz BNADBLXYEKLGNT-UHFFFAOYSA-N 0 0 432.332 5.289 50 30 IKEARN Cc1c(-c2ccccc2Cl)noc1-c1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1 ZINC000008762554 569290341 /nfs/dbraw/zinc/29/03/41/569290341.db2.gz MWKQIXOFDDICBJ-UHFFFAOYSA-N 0 0 446.297 6.205 50 30 IKEARN Clc1cccc(Cl)c1CO/N=C/c1c(Sc2ccccc2)nc2sccn12 ZINC000008855337 569291166 /nfs/dbraw/zinc/29/11/66/569291166.db2.gz SRRQSANQMMQIGM-SSDVNMTOSA-N 0 0 434.373 6.405 50 30 IKEARN FCCCOc1ccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000008855506 569291311 /nfs/dbraw/zinc/29/13/11/569291311.db2.gz SKFWWFUBQJGNAI-UHFFFAOYSA-N 0 0 434.311 6.198 50 30 IKEARN C#CCn1c(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008857058 569291411 /nfs/dbraw/zinc/29/14/11/569291411.db2.gz MGHBWEHTFDEJSJ-UHFFFAOYSA-N 0 0 449.406 7.449 50 30 IKEARN O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008857176 569291413 /nfs/dbraw/zinc/29/14/13/569291413.db2.gz XALPLJYVXBOZQV-HDHZYAPQSA-N 0 0 432.820 5.419 50 30 IKEARN O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008857177 569291420 /nfs/dbraw/zinc/29/14/20/569291420.db2.gz XALPLJYVXBOZQV-GBPUDXIESA-N 0 0 432.820 5.419 50 30 IKEARN Cc1cccc(CSc2nc(-c3cccc(C(F)(F)F)c3)c3c(c2C#N)CCCC3)c1 ZINC000008857423 569291575 /nfs/dbraw/zinc/29/15/75/569291575.db2.gz KYUYEIGITKLQGZ-UHFFFAOYSA-N 0 0 438.518 7.119 50 30 IKEARN N#Cc1c(Oc2ccc(Cl)cc2Cl)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000008857347 569291605 /nfs/dbraw/zinc/29/16/05/569291605.db2.gz VEGGJODGVCPKGF-UHFFFAOYSA-N 0 0 443.639 7.392 50 30 IKEARN Cc1nnsc1/C(=N/c1ccc(Cl)cc1Cl)Oc1cccc(C(F)(F)F)c1 ZINC000008873361 569291708 /nfs/dbraw/zinc/29/17/08/569291708.db2.gz ZHYZJRFRGPDLAV-KQWNVCNZSA-N 0 0 432.254 6.329 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008888192 569291908 /nfs/dbraw/zinc/29/19/08/569291908.db2.gz PVCQIYANENDXBU-NOBPMBFOSA-N 0 0 436.895 5.981 50 30 IKEARN COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008888219 569291966 /nfs/dbraw/zinc/29/19/66/569291966.db2.gz NSHLIMBWNHJGRP-FLUWZFHISA-N 0 0 441.861 5.992 50 30 IKEARN O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(F)cc1 ZINC000008888415 569292050 /nfs/dbraw/zinc/29/20/50/569292050.db2.gz CSLSVKAZZYYXMI-KKMKTNMSSA-N 0 0 446.305 6.487 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C#N ZINC000009130396 569293956 /nfs/dbraw/zinc/29/39/56/569293956.db2.gz FHPOTEJYQQSYNE-GDBMZVCRSA-N 0 0 449.458 5.193 50 30 IKEARN CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3cccc(F)c3)n2c1C ZINC000065315883 569294247 /nfs/dbraw/zinc/29/42/47/569294247.db2.gz QBZQAECMJFLWMV-UHFFFAOYSA-N 0 0 434.496 5.171 50 30 IKEARN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/NC(=O)N(c2ccccc2)C1=O ZINC000009260712 569294814 /nfs/dbraw/zinc/29/48/14/569294814.db2.gz MIPXVWUCLJUECP-PCLIKHOPSA-N 0 0 445.478 5.388 50 30 IKEARN N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1 ZINC000009261215 569294837 /nfs/dbraw/zinc/29/48/37/569294837.db2.gz KSEKEIZJSKVVQT-KEBDBYFISA-N 0 0 438.867 5.847 50 30 IKEARN CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000009309214 569295206 /nfs/dbraw/zinc/29/52/06/569295206.db2.gz FXLVFPPWWAKSNL-UHFFFAOYSA-N 0 0 442.544 5.506 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1c(Cl)cccc1Cl)CCCC3 ZINC000002388164 569295602 /nfs/dbraw/zinc/29/56/02/569295602.db2.gz AOTOVFXUBDUZOJ-UHFFFAOYSA-N 0 0 437.417 6.122 50 30 IKEARN COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)no2)c1 ZINC000009597836 569297415 /nfs/dbraw/zinc/29/74/15/569297415.db2.gz FUETUFSSHFXHMC-HNNXBMFYSA-N 0 0 435.549 5.687 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(CC)cc2)c1=O ZINC000002398392 569298714 /nfs/dbraw/zinc/29/87/14/569298714.db2.gz XSTAOZJOICHLTM-UHFFFAOYSA-N 0 0 439.563 5.816 50 30 IKEARN C=C(C)CSc1nc(SCc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002403373 569299883 /nfs/dbraw/zinc/29/98/83/569299883.db2.gz VVQGUKOORLZHJU-UHFFFAOYSA-N 0 0 428.648 6.503 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)C1CCCCC1 ZINC000002406404 569300244 /nfs/dbraw/zinc/30/02/44/569300244.db2.gz JQRVOCZURAIOEB-NDENLUEZSA-N 0 0 427.294 5.551 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002408854 569300481 /nfs/dbraw/zinc/30/04/81/569300481.db2.gz KKRHWCUOOKZTMP-UHFFFAOYSA-N 0 0 443.526 5.702 50 30 IKEARN N#Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)sc2c1CCCC2 ZINC000002420192 569300785 /nfs/dbraw/zinc/30/07/85/569300785.db2.gz VNTVFDMASFOWOE-UHFFFAOYSA-N 0 0 426.497 5.524 50 30 IKEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 ZINC000002414254 569301288 /nfs/dbraw/zinc/30/12/88/569301288.db2.gz GYLYNPFQYSJXBG-MSXFZWOLSA-N 0 0 442.467 5.548 50 30 IKEARN C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 ZINC000002416937 569301494 /nfs/dbraw/zinc/30/14/94/569301494.db2.gz RZWGJNIUSNQWAG-QFIPXVFZSA-N 0 0 444.874 5.156 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccc(Cl)cc1 ZINC000002417720 569301571 /nfs/dbraw/zinc/30/15/71/569301571.db2.gz IJVLLSIISYVHLN-JAIQZWGSSA-N 0 0 445.685 6.482 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c(OC)c1 ZINC000002418294 569301577 /nfs/dbraw/zinc/30/15/77/569301577.db2.gz RQVBOYVJJZCQLX-AQHIEDMUSA-N 0 0 440.854 5.692 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(C)cc2)c1=O ZINC000002424269 569302353 /nfs/dbraw/zinc/30/23/53/569302353.db2.gz WMPAKOAVWWWSTJ-UHFFFAOYSA-N 0 0 439.563 5.622 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2CCCCCC)c1=O ZINC000002425314 569302522 /nfs/dbraw/zinc/30/25/22/569302522.db2.gz CLJDCTCTTMXGEQ-UHFFFAOYSA-N 0 0 433.600 6.154 50 30 IKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1 ZINC000002427224 569302630 /nfs/dbraw/zinc/30/26/30/569302630.db2.gz BRPFOMTUFIAXNP-RMORIDSASA-N 0 0 440.854 5.692 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002427329 569302638 /nfs/dbraw/zinc/30/26/38/569302638.db2.gz OFRHJWWNRXPRAP-UHFFFAOYSA-N 0 0 439.563 5.871 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1ccccc1F ZINC000011865065 569303099 /nfs/dbraw/zinc/30/30/99/569303099.db2.gz VQSLIPXJXCNSAX-JAIQZWGSSA-N 0 0 439.236 5.424 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1 ZINC000011869310 569303127 /nfs/dbraw/zinc/30/31/27/569303127.db2.gz SFCXPZLWKWLWTE-MYKKPKGFSA-N 0 0 439.338 7.312 50 30 IKEARN O=C(/C=C/c1ccc(F)cc1)c1cc(Br)ccc1OC(=O)c1cccs1 ZINC000011867670 569303138 /nfs/dbraw/zinc/30/31/38/569303138.db2.gz VIBOKXOLACOGOL-WEVVVXLNSA-N 0 0 431.282 5.765 50 30 IKEARN O=C1ON(c2ccccc2)[C@@H](c2cccc3ccccc32)N1c1ccc(Cl)c(Cl)c1 ZINC000002442072 569304233 /nfs/dbraw/zinc/30/42/33/569304233.db2.gz GZCATTISNWQGAU-QHCPKHFHSA-N 0 0 435.310 7.224 50 30 IKEARN COc1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)cc(OC)c1OC ZINC000002448790 569304712 /nfs/dbraw/zinc/30/47/12/569304712.db2.gz MNIPXZHJJJJJIV-FBHDLOMBSA-N 0 0 436.435 5.047 50 30 IKEARN CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000002450557 569304996 /nfs/dbraw/zinc/30/49/96/569304996.db2.gz RJNNANDABJZSRA-IYXZIDLBSA-N 0 0 432.608 6.063 50 30 IKEARN N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1[S@](=O)c1cccc(C(F)(F)F)c1 ZINC000012957150 569305021 /nfs/dbraw/zinc/30/50/21/569305021.db2.gz LFKYEUMNBVOIIG-PMERELPUSA-N 0 0 432.398 5.135 50 30 IKEARN COc1cccc(C(=O)Nc2ccc([S@](=O)c3cccc(C(F)(F)F)c3)c(C#N)c2)c1 ZINC000012952881 569305156 /nfs/dbraw/zinc/30/51/56/569305156.db2.gz KHXADZLRNWOGED-HKBQPEDESA-N 0 0 444.434 5.005 50 30 IKEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000013014238 569306331 /nfs/dbraw/zinc/30/63/31/569306331.db2.gz MWNONHQLNVGGRZ-QGZVFWFLSA-N 0 0 443.503 5.953 50 30 IKEARN COc1ccc2c(c1)nc(SCC(=O)Nc1cccc(C#N)c1)cc2-c1ccccc1 ZINC000013018103 569307255 /nfs/dbraw/zinc/30/72/55/569307255.db2.gz PSEHVWIHWOIYQN-UHFFFAOYSA-N 0 0 425.513 5.513 50 30 IKEARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000013029894 569307370 /nfs/dbraw/zinc/30/73/70/569307370.db2.gz HBOYJQFJUUYZRX-UHFFFAOYSA-N 0 0 427.533 5.056 50 30 IKEARN CCOc1cc(/C=C/C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 ZINC000013075654 569308741 /nfs/dbraw/zinc/30/87/41/569308741.db2.gz PZQHZNAREKGEGZ-NTUHNPAUSA-N 0 0 446.478 5.206 50 30 IKEARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000013108800 569310251 /nfs/dbraw/zinc/31/02/51/569310251.db2.gz CBNZGKSQTBBWJR-ACCUITESSA-N 0 0 432.545 5.269 50 30 IKEARN Cc1cc(SCC(=O)Nc2ccc(Cl)cc2Cl)n2c3ccccc3nc2c1C#N ZINC000013134617 569311361 /nfs/dbraw/zinc/31/13/61/569311361.db2.gz AXAUVUIFIJEETN-UHFFFAOYSA-N 0 0 441.343 5.705 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]12 ZINC000254397362 569316623 /nfs/dbraw/zinc/31/66/23/569316623.db2.gz FVWJYYTZTCVBKE-UJZGQTOSSA-N 0 0 442.728 6.997 50 30 IKEARN Cc1nc2cc(CNC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)ccc2n1C1CC1 ZINC000328590121 569316830 /nfs/dbraw/zinc/31/68/30/569316830.db2.gz DEEAASRZNDGFNR-UHFFFAOYSA-N 0 0 431.515 5.633 50 30 IKEARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000328591510 569316932 /nfs/dbraw/zinc/31/69/32/569316932.db2.gz NOJSUQRFZNVUIH-WAIKUNEKSA-N 0 0 428.454 6.272 50 30 IKEARN O=C(NCCCSc1ccccn1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000328591585 569317034 /nfs/dbraw/zinc/31/70/34/569317034.db2.gz ZLJLEBJLGLYZCY-QGZVFWFLSA-N 0 0 438.380 5.132 50 30 IKEARN C[C@H](CNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2s1 ZINC000328596274 569317826 /nfs/dbraw/zinc/31/78/26/569317826.db2.gz ACMXXXDIHBGZSY-DLBZAZTESA-N 0 0 445.629 6.030 50 30 IKEARN CCCCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccc(Cl)cc3)c2C#N)cc1 ZINC000019337684 569318478 /nfs/dbraw/zinc/31/84/78/569318478.db2.gz MGZHKQRTYQEZAS-UHFFFAOYSA-N 0 0 448.979 6.199 50 30 IKEARN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000078870169 569319643 /nfs/dbraw/zinc/31/96/43/569319643.db2.gz DZKXYCPUMLCATK-OAQYLSRUSA-N 0 0 437.975 5.098 50 30 IKEARN C=CCn1c(S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)nnc1-c1ccco1 ZINC000079024313 569322580 /nfs/dbraw/zinc/32/25/80/569322580.db2.gz OEMJGDSLVVRWDI-FQEVSTJZSA-N 0 0 441.516 5.656 50 30 IKEARN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000019596579 569323014 /nfs/dbraw/zinc/32/30/14/569323014.db2.gz GHKKZAQQDQAHDA-UHFFFAOYSA-N 0 0 447.575 5.071 50 30 IKEARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(C#N)cc1F ZINC000019631061 569323991 /nfs/dbraw/zinc/32/39/91/569323991.db2.gz FYMZDWCLUVSXDK-UHFFFAOYSA-N 0 0 440.261 6.373 50 30 IKEARN CSc1nc(Nc2cccc(Br)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820622 569330085 /nfs/dbraw/zinc/33/00/85/569330085.db2.gz ZJRITOTZNFPSKT-UHFFFAOYSA-N 0 0 431.746 5.897 50 30 IKEARN COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCCC4)cc2OC)cc1 ZINC000019840915 569330138 /nfs/dbraw/zinc/33/01/38/569330138.db2.gz SUNRMQDUYXRLGB-UHFFFAOYSA-N 0 0 443.547 5.458 50 30 IKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3cccc(Br)c3)o1)CCCCC2 ZINC000019841013 569330234 /nfs/dbraw/zinc/33/02/34/569330234.db2.gz KALQLCNTLIUXHL-UHFFFAOYSA-N 0 0 438.325 5.406 50 30 IKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(Br)cc3)o1)CCCCC2 ZINC000019840935 569330256 /nfs/dbraw/zinc/33/02/56/569330256.db2.gz QJSLORZWWZTGMO-UHFFFAOYSA-N 0 0 438.325 5.406 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019857508 569330371 /nfs/dbraw/zinc/33/03/71/569330371.db2.gz WFBVEEJVGAWHOL-UHFFFAOYSA-N 0 0 443.982 5.206 50 30 IKEARN CCCc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000020057844 569332780 /nfs/dbraw/zinc/33/27/80/569332780.db2.gz IRACIFTWIRYNOE-UHFFFAOYSA-N 0 0 443.982 5.287 50 30 IKEARN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000020075581 569333772 /nfs/dbraw/zinc/33/37/72/569333772.db2.gz MHTNWCADCODRQN-WGOQTCKBSA-N 0 0 438.572 5.300 50 30 IKEARN COc1ccccc1/N=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc21 ZINC000020075292 569333821 /nfs/dbraw/zinc/33/38/21/569333821.db2.gz NXFDLBOQEXPKGQ-YZSQISJMSA-N 0 0 431.513 5.675 50 30 IKEARN C=C(C/C=C(\C)CCC=C(C)C)C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000020111722 569334516 /nfs/dbraw/zinc/33/45/16/569334516.db2.gz XHSRFCRGSWRBSP-KYRPUADMSA-N 0 0 425.569 5.551 50 30 biogenic IKEARN O=C1/C(=C\c2ccc(Br)s2)CC/C1=C/c1ccc(Br)s1 ZINC000020115363 569335005 /nfs/dbraw/zinc/33/50/05/569335005.db2.gz JCHGHRDQLMPPJN-XOHWUJONSA-N 0 0 430.186 6.165 50 30 IKEARN Cc1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1 ZINC000020131516 569335346 /nfs/dbraw/zinc/33/53/46/569335346.db2.gz HFIHHZAWPCHJDQ-UHFFFAOYSA-N 0 0 426.545 5.662 50 30 IKEARN CC(C)[C@@H]1c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000020134462 569335691 /nfs/dbraw/zinc/33/56/91/569335691.db2.gz CVHNDELSLUPQBT-KRWDZBQOSA-N 0 0 444.000 5.524 50 30 IKEARN C=CCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020152132 569336608 /nfs/dbraw/zinc/33/66/08/569336608.db2.gz FPMODSGDTICMFM-DEDYPNTBSA-N 0 0 442.968 5.799 50 30 IKEARN COc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cc(Cl)ccc3n2)cc1OC ZINC000020259277 569358452 /nfs/dbraw/zinc/35/84/52/569358452.db2.gz PJMHXLKAMAWQJB-UHFFFAOYSA-N 0 0 449.919 5.758 50 30 IKEARN N#CC[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)Nc1ccc(Cl)cc1 ZINC000020366109 569362159 /nfs/dbraw/zinc/36/21/59/569362159.db2.gz NLMYZJUNNPNMCN-ZDUSSCGKSA-N 0 0 433.217 5.350 50 30 IKEARN COc1c2c(cc3c1[C@H](C#CCOc1cc(C)c(Cl)cc1C(C)C)N(C)CC3)OCO2 ZINC000020410457 569364016 /nfs/dbraw/zinc/36/40/16/569364016.db2.gz SCRVHZJAEBYCPQ-FQEVSTJZSA-N 0 0 441.955 5.121 50 30 biogenic IKEARN C=CCN1C(=S)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C)=C1C ZINC000096278255 569389097 /nfs/dbraw/zinc/38/90/97/569389097.db2.gz CKFDOFQBRZLEMP-FQEVSTJZSA-N 0 0 445.510 5.344 50 30 IKEARN CCN(CC)c1ccc(/C=C\C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000096315874 569392772 /nfs/dbraw/zinc/39/27/72/569392772.db2.gz GTRFNHUQKVSITM-CYVLTUHYSA-N 0 0 434.583 7.261 50 30 IKEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000096346569 569397217 /nfs/dbraw/zinc/39/72/17/569397217.db2.gz MVJQJXABALXQCO-RTBURBONSA-N 0 0 426.545 5.811 50 30 IKEARN CC(=O)O[C@]1(c2ccoc2)C(=O)C(C2(c3ccccc3)SCCCS2)=C1OC(C)C ZINC000096564372 569401332 /nfs/dbraw/zinc/40/13/32/569401332.db2.gz UEADJTXCKASNNA-JOCHJYFZSA-N 0 0 444.574 5.023 50 30 IKEARN C=CCN1C(=O)c2c3c(sc2N[C@@H]1SCc1cccc(Cl)c1Cl)CCCC3 ZINC000096592225 569401900 /nfs/dbraw/zinc/40/19/00/569401900.db2.gz AHOXELPSWZCGFT-FQEVSTJZSA-N 0 0 439.433 6.204 50 30 IKEARN Cc1cc(C(C)(C)C)cc(C)c1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000334163617 569402188 /nfs/dbraw/zinc/40/21/88/569402188.db2.gz YXGLUWIXSPJAHF-XNTDXEJSSA-N 0 0 432.991 7.729 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1OC ZINC000028052535 569406772 /nfs/dbraw/zinc/40/67/72/569406772.db2.gz VHXXFYJDKOXMIE-BXKMTCNYSA-N 0 0 430.504 5.267 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1OC ZINC000028052529 569406800 /nfs/dbraw/zinc/40/68/00/569406800.db2.gz TWCIAMNXLKVWJP-HOYKHHGWSA-N 0 0 430.504 5.267 50 30 IKEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000028052261 569406825 /nfs/dbraw/zinc/40/68/25/569406825.db2.gz LLRSHVCWDRHYSA-IVZQSRNASA-N 0 0 436.895 5.309 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051609 569406835 /nfs/dbraw/zinc/40/68/35/569406835.db2.gz HYLJVUKIDKABHT-KKSFZXQISA-N 0 0 435.321 5.704 50 30 IKEARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052305 569406865 /nfs/dbraw/zinc/40/68/65/569406865.db2.gz DMOJYYSNYXAHLQ-VGSWGCGISA-N 0 0 448.906 5.381 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4F)ccc3C1=O)cn2C ZINC000028182514 569408751 /nfs/dbraw/zinc/40/87/51/569408751.db2.gz PSEBQWOVGNVVAW-GATIEOLUSA-N 0 0 429.447 5.521 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2ccccc21 ZINC000028182678 569408761 /nfs/dbraw/zinc/40/87/61/569408761.db2.gz HIGJXBUSINTZNE-YSMPRRRNSA-N 0 0 439.511 6.173 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 ZINC000028182621 569408789 /nfs/dbraw/zinc/40/87/89/569408789.db2.gz IANJMAAMINZOIL-ROTLSHHCSA-N 0 0 447.893 6.649 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)c2ccccc21 ZINC000028182842 569408890 /nfs/dbraw/zinc/40/88/90/569408890.db2.gz NZJVEMLDYNICJQ-AXKXHUOPSA-N 0 0 430.548 5.461 50 30 IKEARN Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000002617268 569410363 /nfs/dbraw/zinc/41/03/63/569410363.db2.gz LVHQHDYBLVJPSV-UHFFFAOYSA-N 0 0 427.287 5.312 50 30 IKEARN C=CCn1c(SCCCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(C)c2c1=O ZINC000002619515 569410725 /nfs/dbraw/zinc/41/07/25/569410725.db2.gz AVQKYXBIHPFUKL-UHFFFAOYSA-N 0 0 441.622 5.389 50 30 IKEARN C=CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 ZINC000002619903 569410822 /nfs/dbraw/zinc/41/08/22/569410822.db2.gz GSQNYPQHYUVFIJ-UHFFFAOYSA-N 0 0 440.572 5.129 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc43)c(C#N)cc2C1 ZINC000215673425 569411288 /nfs/dbraw/zinc/41/12/88/569411288.db2.gz IPAFZAPWNDPTMC-LJQANCHMSA-N 0 0 444.604 5.773 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000002625520 569411676 /nfs/dbraw/zinc/41/16/76/569411676.db2.gz KIBFRPNSJHRPMB-UHFFFAOYSA-N 0 0 438.871 5.040 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002631376 569412476 /nfs/dbraw/zinc/41/24/76/569412476.db2.gz MRJVZEUPGDNYIN-UHFFFAOYSA-N 0 0 431.565 5.031 50 30 IKEARN C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000002646169 569414236 /nfs/dbraw/zinc/41/42/36/569414236.db2.gz JGWNAMGKENZHPV-UHFFFAOYSA-N 0 0 448.950 5.206 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(COCC(F)(F)C(F)F)cc3)sc2C1 ZINC000002727887 569418651 /nfs/dbraw/zinc/41/86/51/569418651.db2.gz ZWBAPQVGRLOZAO-GFCCVEGCSA-N 0 0 440.462 5.414 50 30 IKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000002742231 569419844 /nfs/dbraw/zinc/41/98/44/569419844.db2.gz KMVQYZAWHWLFOY-SBUREZEXSA-N 0 0 432.614 6.607 50 30 IKEARN Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)sc2c1 ZINC000002740657 569419878 /nfs/dbraw/zinc/41/98/78/569419878.db2.gz FLBNUXFKJHFBST-ZDUSSCGKSA-N 0 0 443.037 7.200 50 30 IKEARN C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000002742692 569419946 /nfs/dbraw/zinc/41/99/46/569419946.db2.gz FOJWDYCGLLYXFJ-UHFFFAOYSA-N 0 0 448.379 5.114 50 30 IKEARN C=CCOc1ccc(Br)c([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1 ZINC000002746628 569420060 /nfs/dbraw/zinc/42/00/60/569420060.db2.gz MLGUBIKPNRFAGR-QHCPKHFHSA-N 0 0 449.348 6.093 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Br)cc3)sc2C1 ZINC000002753091 569420347 /nfs/dbraw/zinc/42/03/47/569420347.db2.gz IWAOPYIYVVRETN-KDHUCADRSA-N 0 0 443.410 6.185 50 30 IKEARN Oc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2s1 ZINC000002756857 569420351 /nfs/dbraw/zinc/42/03/51/569420351.db2.gz FSCVJISZUKFERC-UMKNWRDPSA-N 0 0 425.340 7.391 50 30 IKEARN Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000002790907 569421530 /nfs/dbraw/zinc/42/15/30/569421530.db2.gz BYNAUSKQQZFGOL-OLZOCXBDSA-N 0 0 449.418 5.238 50 30 IKEARN C[C@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002790829 569421571 /nfs/dbraw/zinc/42/15/71/569421571.db2.gz ZXFJQVARNFMMEO-CHWSQXEVSA-N 0 0 449.418 5.005 50 30 IKEARN Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000002790909 569421612 /nfs/dbraw/zinc/42/16/12/569421612.db2.gz BYNAUSKQQZFGOL-CHWSQXEVSA-N 0 0 449.418 5.238 50 30 IKEARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc12 ZINC000002792308 569421615 /nfs/dbraw/zinc/42/16/15/569421615.db2.gz ZCRXLYUKWVLFRP-UHFFFAOYSA-N 0 0 439.584 6.371 50 30 IKEARN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1 ZINC000002804514 569422512 /nfs/dbraw/zinc/42/25/12/569422512.db2.gz MAKMLIKPFOARDP-UHFFFAOYSA-N 0 0 441.560 5.316 50 30 IKEARN CCCO[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)c1ccccc1)C(F)(F)F ZINC000670420946 569422953 /nfs/dbraw/zinc/42/29/53/569422953.db2.gz DBUAPPJYRIGNCY-VXGBXAGGSA-N 0 0 430.238 5.362 50 30 IKEARN CCCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)c1ccccc1)C(F)(F)F ZINC000670420945 569423066 /nfs/dbraw/zinc/42/30/66/569423066.db2.gz DBUAPPJYRIGNCY-RYUDHWBXSA-N 0 0 430.238 5.362 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2C1 ZINC000002880200 569423965 /nfs/dbraw/zinc/42/39/65/569423965.db2.gz YKFVCOQAAONHKV-OAHLLOKOSA-N 0 0 440.524 5.770 50 30 IKEARN N#Cc1ccccc1NC(=O)CCSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000002883734 569424089 /nfs/dbraw/zinc/42/40/89/569424089.db2.gz FMWZMRCOSVPWAJ-UHFFFAOYSA-N 0 0 444.947 5.943 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1Sc1ccccc1 ZINC000003028604 569436474 /nfs/dbraw/zinc/43/64/74/569436474.db2.gz QPHDPPDNORGEBI-FSJBWODESA-N 0 0 433.316 6.604 50 30 IKEARN Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1 ZINC000003028590 569436480 /nfs/dbraw/zinc/43/64/80/569436480.db2.gz NYKSDEXOHXQEEK-WYMPLXKRSA-N 0 0 447.343 6.912 50 30 IKEARN Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 ZINC000003028564 569436511 /nfs/dbraw/zinc/43/65/11/569436511.db2.gz CIOJSEUNDAJRGQ-WYMPLXKRSA-N 0 0 447.343 6.912 50 30 IKEARN Cc1ccc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)c1 ZINC000003041813 569438484 /nfs/dbraw/zinc/43/84/84/569438484.db2.gz XFJYORQPNFBYJP-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccc(NC(=O)c2ccccc2)c1 ZINC000003043802 569438515 /nfs/dbraw/zinc/43/85/15/569438515.db2.gz AJHHMLFJNSMPOL-MUFRIFMGSA-N 0 0 445.482 5.376 50 30 IKEARN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000230138111 569439191 /nfs/dbraw/zinc/43/91/91/569439191.db2.gz WVXXEBLHRGPWQV-YXRNEHCBSA-N 0 0 446.635 6.498 50 30 IKEARN O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000003063848 569439607 /nfs/dbraw/zinc/43/96/07/569439607.db2.gz VZSIOPSNXWQWFN-HFTWOUSFSA-N 0 0 444.840 5.827 50 30 IKEARN O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1Cl ZINC000003063916 569439622 /nfs/dbraw/zinc/43/96/22/569439622.db2.gz BNXQEUQTLCCECS-QLYXXIJNSA-N 0 0 445.733 6.115 50 30 IKEARN Cc1c(Cl)cccc1/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000003079809 569439874 /nfs/dbraw/zinc/43/98/74/569439874.db2.gz QHYHJTLMWXPQJP-UFFVCSGVSA-N 0 0 429.772 5.028 50 30 IKEARN Oc1c(F)cccc1/C=N/c1ccc(Oc2ccc(/N=C/c3cccc(F)c3O)cc2)cc1 ZINC000003087072 569439908 /nfs/dbraw/zinc/43/99/08/569439908.db2.gz QFSKVYNRQCMLKO-CMNXJCJSSA-N 0 0 444.437 6.670 50 30 IKEARN Cc1ccc2sc(-c3ccc(/N=C/c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3)nc2c1 ZINC000003085094 569439946 /nfs/dbraw/zinc/43/99/46/569439946.db2.gz GWGROCOPQRKQKE-CCVNUDIWSA-N 0 0 446.934 8.075 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000230213199 569440145 /nfs/dbraw/zinc/44/01/45/569440145.db2.gz XQRHHEAEMRWLDQ-YTFSRNRJSA-N 0 0 441.943 5.686 50 30 IKEARN COC(=O)Nc1ccc(SC(=O)CSC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000003098923 569440162 /nfs/dbraw/zinc/44/01/62/569440162.db2.gz DDEBVSGREHSMLH-UHFFFAOYSA-N 0 0 425.347 5.007 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000003100780 569440233 /nfs/dbraw/zinc/44/02/33/569440233.db2.gz BLERJTVSKPHGNG-JOCHJYFZSA-N 0 0 438.524 5.075 50 30 IKEARN CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N ZINC000003105325 569440291 /nfs/dbraw/zinc/44/02/91/569440291.db2.gz MDVXTDFMZWUFPC-UHFFFAOYSA-N 0 0 435.763 6.117 50 30 IKEARN CSc1sc(C(=O)Nc2ccc(F)c(Cl)c2)c(-c2ccc(Cl)cc2)c1C#N ZINC000003120098 569440364 /nfs/dbraw/zinc/44/03/64/569440364.db2.gz FUBQHYZXPIGMGV-UHFFFAOYSA-N 0 0 437.348 6.707 50 30 IKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(C)cc2)[C@H]3c2ccccc2)cc1 ZINC000003133492 569440707 /nfs/dbraw/zinc/44/07/07/569440707.db2.gz JYQLFXRCUAMMQO-QYTZQGLJSA-N 0 0 432.519 7.208 50 30 IKEARN Cc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000003133436 569440709 /nfs/dbraw/zinc/44/07/09/569440709.db2.gz ALEFMTZWRAUYNF-WHNPURCTSA-N 0 0 436.938 7.853 50 30 IKEARN COc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 ZINC000003133475 569440737 /nfs/dbraw/zinc/44/07/37/569440737.db2.gz KMGJEOONQRBYEI-QYTZQGLJSA-N 0 0 448.518 6.908 50 30 IKEARN N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 ZINC000003133820 569440742 /nfs/dbraw/zinc/44/07/42/569440742.db2.gz ZGBZUOKPRJWYGI-UHFFFAOYSA-N 0 0 431.421 5.708 50 30 IKEARN CCCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC000003158166 569441001 /nfs/dbraw/zinc/44/10/01/569441001.db2.gz OKFNIQJJKNNDNR-JOCHJYFZSA-N 0 0 437.565 5.408 50 30 IKEARN CCCC[C@@H](CC)Cn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(F)cc1 ZINC000003169270 569441131 /nfs/dbraw/zinc/44/11/31/569441131.db2.gz USCHVSWARHJZMV-QGZVFWFLSA-N 0 0 443.526 6.064 50 30 IKEARN Cc1cc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)n2c2ccccc12 ZINC000003195601 569441555 /nfs/dbraw/zinc/44/15/55/569441555.db2.gz NYYWPYJYNHUWHJ-UHFFFAOYSA-N 0 0 447.589 5.124 50 30 IKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O ZINC000003195147 569441567 /nfs/dbraw/zinc/44/15/67/569441567.db2.gz XJIORJRAKUASEK-UHFFFAOYSA-N 0 0 429.516 6.158 50 30 IKEARN C=COc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000003199723 569441584 /nfs/dbraw/zinc/44/15/84/569441584.db2.gz GXPQQIRSQJMPTA-UHFFFAOYSA-N 0 0 430.467 6.694 50 30 IKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1 ZINC000003212022 569441721 /nfs/dbraw/zinc/44/17/21/569441721.db2.gz SBFYQLFRZBNFFU-UHFFFAOYSA-N 0 0 427.592 7.323 50 30 IKEARN CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000003219223 569441899 /nfs/dbraw/zinc/44/18/99/569441899.db2.gz LGKUDIHGIWPUOR-UHFFFAOYSA-N 0 0 444.556 5.802 50 30 IKEARN Cc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c3ccccc3n2)cc1 ZINC000003219559 569441901 /nfs/dbraw/zinc/44/19/01/569441901.db2.gz OYRWOKIYOXMQOI-UHFFFAOYSA-N 0 0 449.510 5.314 50 30 IKEARN N#Cc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003232556 569442346 /nfs/dbraw/zinc/44/23/46/569442346.db2.gz QXNQWKRNKNOBCD-UHFFFAOYSA-N 0 0 436.920 5.299 50 30 IKEARN N#Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1 ZINC000003243890 569442692 /nfs/dbraw/zinc/44/26/92/569442692.db2.gz UFAYOEPPYJZJCO-UHFFFAOYSA-N 0 0 432.455 5.059 50 30 IKEARN CC[C@@H](C)CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000003244150 569442704 /nfs/dbraw/zinc/44/27/04/569442704.db2.gz KLEMNTVKTPEXQB-GOSISDBHSA-N 0 0 448.592 5.215 50 30 IKEARN CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000003255108 569443012 /nfs/dbraw/zinc/44/30/12/569443012.db2.gz ITNARQCETQLHME-UHFFFAOYSA-N 0 0 447.528 5.808 50 30 IKEARN N#Cc1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)/C=C/c1ccccc1 ZINC000003261071 569443218 /nfs/dbraw/zinc/44/32/18/569443218.db2.gz NAEICXRISLRCSX-FOCLMDBBSA-N 0 0 429.483 5.156 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc3ccccc3c1)sc1c2CCC1 ZINC000003267060 569443423 /nfs/dbraw/zinc/44/34/23/569443423.db2.gz PMYCYZDQEWSSMQ-UHFFFAOYSA-N 0 0 432.570 5.261 50 30 IKEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)cs2)cc1 ZINC000003299346 569444359 /nfs/dbraw/zinc/44/43/59/569444359.db2.gz UKHLHNMUONSEIE-UHFFFAOYSA-N 0 0 449.495 5.058 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3OCC)s2)c1C ZINC000003309143 569445354 /nfs/dbraw/zinc/44/53/54/569445354.db2.gz SEXKFYNUVZKMOG-UHFFFAOYSA-N 0 0 428.583 5.260 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCc1csc(-c2ccccc2)n1 ZINC000003354325 569447552 /nfs/dbraw/zinc/44/75/52/569447552.db2.gz QBDJQEFUJBRDFI-UHFFFAOYSA-N 0 0 428.538 6.190 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000003355524 569447597 /nfs/dbraw/zinc/44/75/97/569447597.db2.gz POZPYTLYIWRSLK-UHFFFAOYSA-N 0 0 442.569 5.550 50 30 IKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1Cl ZINC000003359869 569447822 /nfs/dbraw/zinc/44/78/22/569447822.db2.gz NIDZZOGVFNBPBG-UHFFFAOYSA-N 0 0 432.936 5.760 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2sc(C)c(C)c2c1=O ZINC000003361896 569447909 /nfs/dbraw/zinc/44/79/09/569447909.db2.gz QJLQWBYJWCRMEF-UHFFFAOYSA-N 0 0 441.622 5.116 50 30 IKEARN N#C[C@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003366223 569448139 /nfs/dbraw/zinc/44/81/39/569448139.db2.gz KRVHDTCPMVGTAD-NZQKXSOJSA-N 0 0 440.528 5.007 50 30 IKEARN N#C[C@@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003366234 569448141 /nfs/dbraw/zinc/44/81/41/569448141.db2.gz KRVHDTCPMVGTAD-OFNKIYASSA-N 0 0 440.528 5.007 50 30 IKEARN N#C[C@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003366231 569448152 /nfs/dbraw/zinc/44/81/52/569448152.db2.gz KRVHDTCPMVGTAD-REWPJTCUSA-N 0 0 440.528 5.007 50 30 IKEARN CCCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000003368538 569448260 /nfs/dbraw/zinc/44/82/60/569448260.db2.gz MSVGXOFQMYYDQE-UHFFFAOYSA-N 0 0 443.565 6.059 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3OCc3ccccc3Cl)cc2)cc1 ZINC000003376113 569448614 /nfs/dbraw/zinc/44/86/14/569448614.db2.gz GXADJVSKBHSDEY-UHFFFAOYSA-N 0 0 439.898 6.677 50 30 IKEARN C=CCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nnc1-c1cccc(C)c1 ZINC000003378096 569448683 /nfs/dbraw/zinc/44/86/83/569448683.db2.gz SSEMPWRFGMVOCA-UHFFFAOYSA-N 0 0 448.379 5.181 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc(CC)cc2c1=O ZINC000003446734 569451378 /nfs/dbraw/zinc/45/13/78/569451378.db2.gz DRNNYEBOIPDFSD-UHFFFAOYSA-N 0 0 435.574 5.090 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)CSC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000003447042 569451437 /nfs/dbraw/zinc/45/14/37/569451437.db2.gz LXZYEWAPSWXKGB-UHFFFAOYSA-N 0 0 435.548 6.653 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 ZINC000217799481 569453377 /nfs/dbraw/zinc/45/33/77/569453377.db2.gz OGVUEVZLBVSKDA-HQOKVJKCSA-N 0 0 448.858 5.111 50 30 biogenic IKEARN C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O ZINC000218112263 569456346 /nfs/dbraw/zinc/45/63/46/569456346.db2.gz OITGNENIPHFEMQ-BIFQTZPZSA-N 0 0 439.467 5.094 50 30 biogenic IKEARN CC(C)Cc1c(C#N)c(SCC(=O)c2ccc(Br)cc2)nc2c1CCCC2 ZINC000003879152 569456773 /nfs/dbraw/zinc/45/67/73/569456773.db2.gz IOOZBAXCVOLDKH-UHFFFAOYSA-N 0 0 443.410 5.768 50 30 IKEARN Cc1[nH]c2ccccc2c1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000004016916 569458209 /nfs/dbraw/zinc/45/82/09/569458209.db2.gz XIVDZQQARCPIPT-WGOQTCKBSA-N 0 0 434.507 5.595 50 30 IKEARN COc1c2c(cc3c1[C@H](CC(=O)/C(C)=C/[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 ZINC000004028209 569458253 /nfs/dbraw/zinc/45/82/53/569458253.db2.gz SSFGQCRZUFDDEM-ZKMZRDRYSA-N 0 0 425.569 5.241 50 30 biogenic IKEARN N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CC/C2=C/c1ccccc1 ZINC000031934156 569458458 /nfs/dbraw/zinc/45/84/58/569458458.db2.gz ULUYMMFZEHEIJN-MOHJPFBDSA-N 0 0 430.576 7.399 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000004073569 569458650 /nfs/dbraw/zinc/45/86/50/569458650.db2.gz IBHLVHLIYYDTRV-ABDZCSFESA-N 0 0 439.728 8.494 50 30 biogenic IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000004074964 569458655 /nfs/dbraw/zinc/45/86/55/569458655.db2.gz NSTOXWAGNZTKNY-NIYFSFCBSA-N 0 0 427.479 5.141 50 30 IKEARN FC(F)(F)c1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000004080723 569458663 /nfs/dbraw/zinc/45/86/63/569458663.db2.gz MPXXGOZXIGCONM-JFLMPSFJSA-N 0 0 449.440 5.824 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O ZINC000004109161 569459148 /nfs/dbraw/zinc/45/91/48/569459148.db2.gz UPPQVMCUFAJDIF-ZMPCKTLKSA-N 0 0 447.541 5.277 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C1 ZINC000004156081 569460586 /nfs/dbraw/zinc/46/05/86/569460586.db2.gz UDUQVXVCJJJQOK-MRXNPFEDSA-N 0 0 426.582 5.359 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc([N+](=O)[O-])o1)N2 ZINC000004165205 569460620 /nfs/dbraw/zinc/46/06/20/569460620.db2.gz MIXRBHVLJOQBJI-HSZRJFAPSA-N 0 0 429.432 5.005 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000032189138 569460705 /nfs/dbraw/zinc/46/07/05/569460705.db2.gz FMKZYCFZDCXDQH-ZMOGYAJESA-N 0 0 436.855 5.057 50 30 IKEARN COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2)cc1OC ZINC000004186253 569460805 /nfs/dbraw/zinc/46/08/05/569460805.db2.gz DDMQVOJODFMUKX-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN COc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000066437603 569462154 /nfs/dbraw/zinc/46/21/54/569462154.db2.gz JOQNBIBRAGVABX-UHFFFAOYSA-N 0 0 446.938 5.271 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2)cc1 ZINC000066437681 569462162 /nfs/dbraw/zinc/46/21/62/569462162.db2.gz OHRPEWSPPFTGAA-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)cc1 ZINC000066437678 569462209 /nfs/dbraw/zinc/46/22/09/569462209.db2.gz DGQKBSUQSYCLGN-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 IKEARN CCC[C@H](C#N)C(NC(=O)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1 ZINC000008431188 569464233 /nfs/dbraw/zinc/46/42/33/569464233.db2.gz COUWWYKITBTFJN-JOCHJYFZSA-N 0 0 447.376 6.063 50 30 IKEARN COC(=O)[C@@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)c1ccccc1 ZINC000008451268 569465101 /nfs/dbraw/zinc/46/51/01/569465101.db2.gz CWKQEQWNBPDTFO-QHCPKHFHSA-N 0 0 442.565 6.355 50 30 IKEARN CCCCCCCCCCCCCCNc1c2ccccc2nc2c1C(=O)CC(C)(C)C2 ZINC000008453857 569465162 /nfs/dbraw/zinc/46/51/62/569465162.db2.gz ZGUUWQAJJCXSKT-UHFFFAOYSA-N 0 0 436.684 8.503 50 30 IKEARN O=C(C1=CN[C@H](c2nc(-c3cccnc3)cs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000008694235 569470057 /nfs/dbraw/zinc/47/00/57/569470057.db2.gz ZUCDXCDTCAMUQB-GOTSBHOMSA-N 0 0 443.959 6.053 50 30 IKEARN CCOc1ccc(C(=O)CC(N=Nc2nc(-c3ccccc3)cs2)C(F)(F)F)cc1 ZINC000008694814 569470166 /nfs/dbraw/zinc/47/01/66/569470166.db2.gz CMAJJKNKVNSUHY-XHPQRKPJSA-N 0 0 433.455 5.812 50 30 IKEARN CSc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000008695515 569470190 /nfs/dbraw/zinc/47/01/90/569470190.db2.gz QOMIDTHELRGFPC-LFVJCYFKSA-N 0 0 427.537 5.527 50 30 IKEARN Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000008721435 569471683 /nfs/dbraw/zinc/47/16/83/569471683.db2.gz YWFHZQNERSRJIK-AREMUKBSSA-N 0 0 433.515 5.543 50 30 IKEARN C=CCNc1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000008733607 569472513 /nfs/dbraw/zinc/47/25/13/569472513.db2.gz WDJXOUYGFJQWLY-UHFFFAOYSA-N 0 0 448.444 6.966 50 30 IKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Br)cc1 ZINC000008733535 569472517 /nfs/dbraw/zinc/47/25/17/569472517.db2.gz XWVUWUDKZMGDQB-UHFFFAOYSA-N 0 0 435.268 6.553 50 30 IKEARN CCN(CC)c1nc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1C#N ZINC000008762241 569474295 /nfs/dbraw/zinc/47/42/95/569474295.db2.gz HJAXPFCUNASHGS-UHFFFAOYSA-N 0 0 442.510 6.173 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1SCc1ccccc1 ZINC000008762680 569474338 /nfs/dbraw/zinc/47/43/38/569474338.db2.gz LURIGFFCUVIWNZ-WYMPLXKRSA-N 0 0 447.343 6.745 50 30 IKEARN C[C@@H](NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000008763348 569474385 /nfs/dbraw/zinc/47/43/85/569474385.db2.gz ZTAJNUUCTRKCMJ-IAYWTGDDSA-N 0 0 429.545 5.090 50 30 IKEARN CC(C)(C)c1ccc(CSc2nc(-c3ccc(Cl)cc3)c3c(c2C#N)CCCC3)cc1 ZINC000008763297 569474441 /nfs/dbraw/zinc/47/44/41/569474441.db2.gz HGVJYXRGTROLKY-UHFFFAOYSA-N 0 0 447.047 7.742 50 30 IKEARN COc1ccc(N2C(SC)=N/C(=N\c3cccc(C(F)(F)F)c3)C23CCCCC3)cc1 ZINC000008763988 569474455 /nfs/dbraw/zinc/47/44/55/569474455.db2.gz REIGONRQIWHGBO-OOAXWGSJSA-N 0 0 447.526 6.686 50 30 IKEARN Cc1ccc([C@@H]2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1 ZINC000008781565 569475629 /nfs/dbraw/zinc/47/56/29/569475629.db2.gz GLSDWIARAGBKDB-QFIPXVFZSA-N 0 0 448.950 6.329 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2c(F)cccc2Cl)C3)cc1 ZINC000008782283 569475806 /nfs/dbraw/zinc/47/58/06/569475806.db2.gz IQUCGUDURTXEDY-DXPJPUQTSA-N 0 0 448.925 6.467 50 30 IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O ZINC000008791187 569476155 /nfs/dbraw/zinc/47/61/55/569476155.db2.gz KOEWWJHCGXOYSZ-QQAHGDJHSA-N 0 0 430.887 6.243 50 30 biogenic IKEARN COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)c1OC ZINC000008809470 569476514 /nfs/dbraw/zinc/47/65/14/569476514.db2.gz VEZKSGMIWGTDTD-RVDMUPIBSA-N 0 0 432.472 5.136 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 ZINC000008820968 569477153 /nfs/dbraw/zinc/47/71/53/569477153.db2.gz UBHSKOIJTFDGFS-YBFXNURJSA-N 0 0 445.327 6.154 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008827731 569477685 /nfs/dbraw/zinc/47/76/85/569477685.db2.gz FULOFADDMZMQLB-HSZRJFAPSA-N 0 0 446.503 5.288 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008827732 569477689 /nfs/dbraw/zinc/47/76/89/569477689.db2.gz FULOFADDMZMQLB-QHCPKHFHSA-N 0 0 446.503 5.288 50 30 IKEARN Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\C2CCCCC2)cc1 ZINC000008842899 569478451 /nfs/dbraw/zinc/47/84/51/569478451.db2.gz ORCVMQIXEABWQC-QDJRPKQISA-N 0 0 435.618 6.175 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCC(=O)Nc1nccs1 ZINC000008843599 569478501 /nfs/dbraw/zinc/47/85/01/569478501.db2.gz DZCGMWFLAMGITB-UHFFFAOYSA-N 0 0 440.497 5.278 50 30 IKEARN COc1ccc(CCNc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 ZINC000008844492 569478611 /nfs/dbraw/zinc/47/86/11/569478611.db2.gz VYJVHYNKVQSWMR-UHFFFAOYSA-N 0 0 429.476 5.357 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000008854689 569479616 /nfs/dbraw/zinc/47/96/16/569479616.db2.gz WJQZBUOPUBDDJG-OAQYLSRUSA-N 0 0 437.417 5.797 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]2c1ccccc1 ZINC000008854651 569479627 /nfs/dbraw/zinc/47/96/27/569479627.db2.gz WRCJNJHZYXADIT-DEOSSOPVSA-N 0 0 446.547 6.407 50 30 IKEARN Cc1ccn2c(/C=N/OCc3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)nc2c1 ZINC000008855354 569479693 /nfs/dbraw/zinc/47/96/93/569479693.db2.gz SEHJEEPYJFLYTF-RPPGKUMJSA-N 0 0 444.749 6.821 50 30 IKEARN Clc1ccc(SC/C(=N\OCc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000008855276 569479701 /nfs/dbraw/zinc/47/97/01/569479701.db2.gz LWAUVHMHAHHGHE-NJNXFGOHSA-N 0 0 436.791 7.360 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCC(=O)c1ccc(F)cc1 ZINC000008856208 569479711 /nfs/dbraw/zinc/47/97/11/569479711.db2.gz LLTKTNGIQAZFEI-UHFFFAOYSA-N 0 0 438.527 6.791 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008857937 569479878 /nfs/dbraw/zinc/47/98/78/569479878.db2.gz HBLGLZQWEYAKKR-JOCHJYFZSA-N 0 0 448.906 5.307 50 30 IKEARN CC(N=Nc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1)c1ccc(Cl)cc1 ZINC000008871996 569480868 /nfs/dbraw/zinc/48/08/68/569480868.db2.gz NFLMPAKLXLCXRF-MTDXEUNCSA-N 0 0 442.011 5.122 50 30 IKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(CC=C)C2=O)cc1 ZINC000008872398 569480954 /nfs/dbraw/zinc/48/09/54/569480954.db2.gz AQKNXGWCMBJCMB-XLNRJJMWSA-N 0 0 437.586 5.260 50 30 IKEARN CCOc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000008872368 569480956 /nfs/dbraw/zinc/48/09/56/569480956.db2.gz NHVSBZZENAFUNC-KOEQRZSOSA-N 0 0 425.496 5.204 50 30 IKEARN COc1ccc(-c2nc(N=NCc3ccc(OC)cc3OC)sc2-c2ccccc2)cc1 ZINC000008872769 569481033 /nfs/dbraw/zinc/48/10/33/569481033.db2.gz RYPZMXSRTGJBGH-WGOQTCKBSA-N 0 0 445.544 5.949 50 30 IKEARN N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1ccc(F)cc1 ZINC000039841567 569481902 /nfs/dbraw/zinc/48/19/02/569481902.db2.gz DYFKMFABLDBEOD-UHFFFAOYSA-N 0 0 433.870 6.197 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000008894181 569483623 /nfs/dbraw/zinc/48/36/23/569483623.db2.gz SKDSIEVORVZBEE-IBGZPJMESA-N 0 0 438.936 5.505 50 30 IKEARN Oc1ccccc1N=NC(=NN=c1[nH]c2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000008926297 569487225 /nfs/dbraw/zinc/48/72/25/569487225.db2.gz NWJILJNACPMLER-JBIZZRMRSA-N 0 0 446.514 6.348 50 30 IKEARN CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccccc3)c2CO1 ZINC000008934599 569487940 /nfs/dbraw/zinc/48/79/40/569487940.db2.gz RGZSQWSJLLHCNE-UHFFFAOYSA-N 0 0 432.907 5.387 50 30 IKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008934783 569487970 /nfs/dbraw/zinc/48/79/70/569487970.db2.gz XJRNJVPPRHJVJP-OAQYLSRUSA-N 0 0 446.528 5.108 50 30 IKEARN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC[C@H]2c2cccs2)c1C#N ZINC000008936461 569488003 /nfs/dbraw/zinc/48/80/03/569488003.db2.gz ACGLIPLICULNBP-NRFANRHFSA-N 0 0 436.556 5.001 50 30 IKEARN Cc1cc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000008958983 569490285 /nfs/dbraw/zinc/49/02/85/569490285.db2.gz RUAKEVKLRHDZSC-PCLIKHOPSA-N 0 0 439.899 5.851 50 30 IKEARN N#Cc1c(SCC(=O)c2cccs2)nc(-c2ccccc2)cc1-c1ccc(F)cc1 ZINC000008965143 569491324 /nfs/dbraw/zinc/49/13/24/569491324.db2.gz XVSGCDDUCJOZOS-UHFFFAOYSA-N 0 0 430.529 6.463 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)c1ccc(F)cc1 ZINC000008965444 569491425 /nfs/dbraw/zinc/49/14/25/569491425.db2.gz VTJPSTIBDKHSKF-UHFFFAOYSA-N 0 0 442.490 6.540 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1 ZINC000040140472 569491595 /nfs/dbraw/zinc/49/15/95/569491595.db2.gz QZLAYNKWUAXCBM-ZIAGYGMSSA-N 0 0 426.489 5.009 50 30 IKEARN C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1 ZINC000008966346 569491773 /nfs/dbraw/zinc/49/17/73/569491773.db2.gz KACGBNFAWPVYOF-GFCCVEGCSA-N 0 0 429.958 5.749 50 30 IKEARN COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1ccc(C)c(C)c1 ZINC000008984162 569494690 /nfs/dbraw/zinc/49/46/90/569494690.db2.gz CKKLSIBGNGWFTG-YZSQISJMSA-N 0 0 449.507 5.514 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008985584 569494847 /nfs/dbraw/zinc/49/48/47/569494847.db2.gz XDMMNKSTZOZEBT-OAQYLSRUSA-N 0 0 448.544 5.448 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4cccc(OC)c4)ccc3C2=O)c2ccccc21 ZINC000008990553 569495028 /nfs/dbraw/zinc/49/50/28/569495028.db2.gz UYMBDJMZLHKKOW-AFUMVMLFSA-N 0 0 439.467 5.505 50 30 IKEARN COC(=O)c1ccc(/C=C(/C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000008990345 569495044 /nfs/dbraw/zinc/49/50/44/569495044.db2.gz GIDXKFVGVVMQDH-RGEXLXHISA-N 0 0 443.455 5.055 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c2ccccc21 ZINC000008993586 569495512 /nfs/dbraw/zinc/49/55/12/569495512.db2.gz WPOMVAFQPOBABC-AFUMVMLFSA-N 0 0 443.930 6.818 50 30 IKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008996267 569495794 /nfs/dbraw/zinc/49/57/94/569495794.db2.gz DXCFOPCZNVXJEO-HSZRJFAPSA-N 0 0 442.515 5.171 50 30 IKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009007962 569496161 /nfs/dbraw/zinc/49/61/61/569496161.db2.gz AWHNIOPWOJZCQF-QFIPXVFZSA-N 0 0 446.890 5.083 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009015442 569496712 /nfs/dbraw/zinc/49/67/12/569496712.db2.gz GGQVKOBJGQNUHL-AIIPKAINSA-N 0 0 440.455 5.086 50 30 IKEARN O=C(/C=C/c1ccc(F)cc1)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009019335 569496910 /nfs/dbraw/zinc/49/69/10/569496910.db2.gz GAOLPZLKIQWAIE-QDEBKDIKSA-N 0 0 425.799 5.503 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000009019320 569496929 /nfs/dbraw/zinc/49/69/29/569496929.db2.gz FUBHKXHBINXWTC-JOCHJYFZSA-N 0 0 433.891 5.440 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009019404 569496937 /nfs/dbraw/zinc/49/69/37/569496937.db2.gz WPKZLRUQCYVOOI-QHCPKHFHSA-N 0 0 445.515 5.364 50 30 IKEARN COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccc(Br)cc2)c1 ZINC000009031494 569497105 /nfs/dbraw/zinc/49/71/05/569497105.db2.gz IHNXHIQAMLENNP-PKNBQFBNSA-N 0 0 443.318 5.635 50 30 IKEARN Clc1ccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)c(Cl)c1 ZINC000009034260 569497244 /nfs/dbraw/zinc/49/72/44/569497244.db2.gz HBLQDBGVYGYQRM-BRJLIKDPSA-N 0 0 427.722 6.703 50 30 IKEARN COc1cccc(C(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)c1 ZINC000009034239 569497259 /nfs/dbraw/zinc/49/72/59/569497259.db2.gz DQMZDQOJGWJDFG-UHFFFAOYSA-N 0 0 428.435 5.623 50 30 IKEARN Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 ZINC000009041630 569497556 /nfs/dbraw/zinc/49/75/56/569497556.db2.gz REQADNDMPFXOST-VULFUBBASA-N 0 0 442.320 5.987 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009043379 569497817 /nfs/dbraw/zinc/49/78/17/569497817.db2.gz QNFJCCBMDFQFHQ-NRFANRHFSA-N 0 0 432.545 5.666 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000009046639 569498378 /nfs/dbraw/zinc/49/83/78/569498378.db2.gz XDMYLYYKULHGBB-XCZPVHLTSA-N 0 0 440.543 6.283 50 30 IKEARN N#Cc1c2c(c(-c3ccccc3)nc1SCc1ccc(Cl)cc1Cl)CCCC2 ZINC000009065456 569499649 /nfs/dbraw/zinc/49/96/49/569499649.db2.gz IIHCNFULRIKKOW-UHFFFAOYSA-N 0 0 425.384 7.098 50 30 IKEARN O=c1c2c(nc(N/N=C/c3ccncc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000009065931 569499856 /nfs/dbraw/zinc/49/98/56/569499856.db2.gz KXGQOUITEBFROH-NDZAJKAJSA-N 0 0 447.542 5.108 50 30 IKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000009086400 569500642 /nfs/dbraw/zinc/50/06/42/569500642.db2.gz OBKVRMXWDIVQAK-UHFFFAOYSA-N 0 0 432.854 6.267 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009087293 569500846 /nfs/dbraw/zinc/50/08/46/569500846.db2.gz RIZHIWRNUHMCIA-QHCPKHFHSA-N 0 0 447.918 5.830 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009088964 569500899 /nfs/dbraw/zinc/50/08/99/569500899.db2.gz HSNBXIRHSVPVTM-QHCPKHFHSA-N 0 0 446.934 5.497 50 30 IKEARN COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009109336 569501918 /nfs/dbraw/zinc/50/19/18/569501918.db2.gz MKCLAPWUSSIDLX-XYOKQWHBSA-N 0 0 437.835 5.372 50 30 IKEARN C[C@@H]1C/C(=C\c2ccc(Br)o2)C(=O)/C(=C\c2ccc(Br)o2)C1 ZINC000245294811 569502378 /nfs/dbraw/zinc/50/23/78/569502378.db2.gz APRXJXKHNDDTQQ-YPSSQUIVSA-N 0 0 426.104 5.864 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SC(=Cc2ccc(O)cc2)C1=O ZINC000009113274 569502470 /nfs/dbraw/zinc/50/24/70/569502470.db2.gz KFYQNHNBVNUTEK-SXGWCWSVSA-N 0 0 436.316 5.243 50 30 IKEARN CCOc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC ZINC000245309125 569502538 /nfs/dbraw/zinc/50/25/38/569502538.db2.gz BJDCCWRIZUGCMN-FEUMLFTPSA-N 0 0 436.548 5.967 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1 ZINC000009123666 569504210 /nfs/dbraw/zinc/50/42/10/569504210.db2.gz BSYQYOZIPXRRSY-OAQYLSRUSA-N 0 0 426.497 5.388 50 30 IKEARN Cc1ccc(C[C@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000009127134 569505098 /nfs/dbraw/zinc/50/50/98/569505098.db2.gz FTXQUHLYBKMXMY-AUSIDOKSSA-N 0 0 449.599 5.489 50 30 IKEARN Cc1ccc(C[C@@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000009127135 569505115 /nfs/dbraw/zinc/50/51/15/569505115.db2.gz FTXQUHLYBKMXMY-CVDCTZTESA-N 0 0 449.599 5.489 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000009127866 569505298 /nfs/dbraw/zinc/50/52/98/569505298.db2.gz VPNBMJUFHLGZOQ-UHFFFAOYSA-N 0 0 439.899 5.334 50 30 IKEARN COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009152918 569507908 /nfs/dbraw/zinc/50/79/08/569507908.db2.gz LWOYRPHWLYYKAS-FQEVSTJZSA-N 0 0 433.939 5.939 50 30 IKEARN COc1ccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009152915 569507960 /nfs/dbraw/zinc/50/79/60/569507960.db2.gz KBQUSGHVQXUMDC-JOCHJYFZSA-N 0 0 443.547 5.603 50 30 IKEARN Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 ZINC000009159119 569508571 /nfs/dbraw/zinc/50/85/71/569508571.db2.gz KIGURNGXGWPURC-MTJSOVHGSA-N 0 0 425.267 6.137 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000009174371 569509598 /nfs/dbraw/zinc/50/95/98/569509598.db2.gz WITXNGJCWMBPKR-NRFANRHFSA-N 0 0 444.487 5.527 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009175110 569509720 /nfs/dbraw/zinc/50/97/20/569509720.db2.gz ZSLQAZFYMCBOJZ-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c12 ZINC000009184447 569509909 /nfs/dbraw/zinc/50/99/09/569509909.db2.gz DMWPWSLVBIUDIU-RPPGKUMJSA-N 0 0 436.947 5.405 50 30 IKEARN CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009196754 569510970 /nfs/dbraw/zinc/51/09/70/569510970.db2.gz DDCGVESJPRQDSU-WCQPBMKCSA-N 0 0 430.577 5.150 50 30 IKEARN C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000009199510 569511121 /nfs/dbraw/zinc/51/11/21/569511121.db2.gz QFOAKMHXJAKBRU-MRXNPFEDSA-N 0 0 436.606 5.253 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000009215676 569511964 /nfs/dbraw/zinc/51/19/64/569511964.db2.gz WPFQZLCDZWOGCW-AZGAKELHSA-N 0 0 430.935 6.456 50 30 IKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009243115 569514795 /nfs/dbraw/zinc/51/47/95/569514795.db2.gz NXOUPXDCLRTMHD-NOTUDOMSSA-N 0 0 443.474 5.407 50 30 IKEARN CCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000009271996 569517826 /nfs/dbraw/zinc/51/78/26/569517826.db2.gz FMMOZPPXADXNAA-FIPJQYBPSA-N 0 0 448.361 5.222 50 30 IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000009272083 569517871 /nfs/dbraw/zinc/51/78/71/569517871.db2.gz ZHQYSJCZMJRFFK-AFMDSPMNSA-N 0 0 440.568 6.059 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 ZINC000009271589 569517873 /nfs/dbraw/zinc/51/78/73/569517873.db2.gz YBYAGDZELJVOKD-NRFANRHFSA-N 0 0 426.497 5.388 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009272348 569517929 /nfs/dbraw/zinc/51/79/29/569517929.db2.gz BFBQHFCODFMFJQ-HXUWFJFHSA-N 0 0 442.298 5.673 50 30 IKEARN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009272868 569518004 /nfs/dbraw/zinc/51/80/04/569518004.db2.gz HJFUXBSXJKJLGI-QFIPXVFZSA-N 0 0 446.890 5.081 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009272963 569518030 /nfs/dbraw/zinc/51/80/30/569518030.db2.gz BNCHRZHHDKYFIN-JOCHJYFZSA-N 0 0 440.524 5.696 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009273020 569518056 /nfs/dbraw/zinc/51/80/56/569518056.db2.gz ZMVXXGLRNXCNKH-NRFANRHFSA-N 0 0 448.862 5.340 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2cc(C)ccc2[nH]c1=O ZINC000009292902 569520066 /nfs/dbraw/zinc/52/00/66/569520066.db2.gz CZJCOVRUHFWGSY-CCVNUDIWSA-N 0 0 434.503 5.238 50 30 IKEARN Oc1c(C=[NH+][N-]c2ncnc3scc(-c4ccccc4)c32)cc2c3c1CCCN3CCC2 ZINC000009293579 569520274 /nfs/dbraw/zinc/52/02/74/569520274.db2.gz NSBBHYXZLSLVGW-XODNFHPESA-N 0 0 441.560 5.209 50 30 IKEARN COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O ZINC000009296202 569520385 /nfs/dbraw/zinc/52/03/85/569520385.db2.gz LJKOXWJRENCPTK-UCQKPKSFSA-N 0 0 442.496 5.387 50 30 IKEARN CCCc1cc(SCc2ccc(Cl)cc2Cl)n2c3ccccc3nc2c1C#N ZINC000009307170 569521405 /nfs/dbraw/zinc/52/14/05/569521405.db2.gz GELZSBPLSVWPHG-UHFFFAOYSA-N 0 0 426.372 6.911 50 30 IKEARN CCCc1cc(SCC(=O)Nc2ccc(OC)cc2)n2c3ccccc3nc2c1C#N ZINC000009308487 569521517 /nfs/dbraw/zinc/52/15/17/569521517.db2.gz JELQMTMAMFNCQN-UHFFFAOYSA-N 0 0 430.533 5.051 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000009333839 569523132 /nfs/dbraw/zinc/52/31/32/569523132.db2.gz DTIKOKWTKCGQDW-OAQYLSRUSA-N 0 0 446.572 5.840 50 30 IKEARN CCOc1ccc2nc(-c3ccc(NCC(=O)Nc4ccccc4C#N)cc3)sc2c1 ZINC000009338592 569523671 /nfs/dbraw/zinc/52/36/71/569523671.db2.gz WRWGYMSWNAPRRK-UHFFFAOYSA-N 0 0 428.517 5.284 50 30 IKEARN COc1cc(C(=O)N=C2Nc3ccccc3N=C(C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000009340100 569523768 /nfs/dbraw/zinc/52/37/68/569523768.db2.gz XAXXPBMVXIXMNA-QHCPKHFHSA-N 0 0 443.503 5.253 50 30 IKEARN COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 ZINC000009344881 569524080 /nfs/dbraw/zinc/52/40/80/569524080.db2.gz XMHJAHMAVCZNBK-NXUGVVLJSA-N 0 0 449.580 5.049 50 30 IKEARN CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1-c1nc2ccccc2c(=O)o1 ZINC000009346040 569524208 /nfs/dbraw/zinc/52/42/08/569524208.db2.gz RDTIVKSZESGQRP-HMAPJEAMSA-N 0 0 440.480 5.038 50 30 IKEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2[C@H]1c1ccccc1 ZINC000009348035 569524385 /nfs/dbraw/zinc/52/43/85/569524385.db2.gz FMFNUCYYKLIUEQ-QHCPKHFHSA-N 0 0 448.482 5.037 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000009348919 569524605 /nfs/dbraw/zinc/52/46/05/569524605.db2.gz QYLQTRKLPHWKAH-SFHVURJKSA-N 0 0 425.410 5.161 50 30 IKEARN N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCC(=O)c1ccccc1 ZINC000009355628 569525271 /nfs/dbraw/zinc/52/52/71/569525271.db2.gz YJHYWQIRYRHFFX-UHFFFAOYSA-N 0 0 432.448 5.240 50 30 IKEARN CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000009358290 569525618 /nfs/dbraw/zinc/52/56/18/569525618.db2.gz WYVIQTDQUKLAOC-MHZLTWQESA-N 0 0 446.591 6.419 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009359088 569525660 /nfs/dbraw/zinc/52/56/60/569525660.db2.gz NFUIYLGWKYQGAO-IRLDBZIGSA-N 0 0 439.939 5.221 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009363615 569525965 /nfs/dbraw/zinc/52/59/65/569525965.db2.gz YWRNAGSEERWSRA-JOCHJYFZSA-N 0 0 449.934 6.009 50 30 IKEARN C=CCn1c(Sc2nc(-c3cccnc3)nc3ccccc32)nnc1C1CCCCC1 ZINC000009377139 569527426 /nfs/dbraw/zinc/52/74/26/569527426.db2.gz QAPBMFCIOZBBPZ-UHFFFAOYSA-N 0 0 428.565 5.668 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009379859 569527778 /nfs/dbraw/zinc/52/77/78/569527778.db2.gz ALMHUHLBSFVWIG-QFIPXVFZSA-N 0 0 449.890 5.140 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000009380130 569527796 /nfs/dbraw/zinc/52/77/96/569527796.db2.gz XCUAWQHGEKFLGL-JOCHJYFZSA-N 0 0 431.875 5.326 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000009379962 569527836 /nfs/dbraw/zinc/52/78/36/569527836.db2.gz JANGBGBWWOSSEW-IBGZPJMESA-N 0 0 428.271 5.365 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009380537 569527856 /nfs/dbraw/zinc/52/78/56/569527856.db2.gz STGLCLJCVUQQJK-FQEVSTJZSA-N 0 0 440.337 5.337 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000009380304 569527888 /nfs/dbraw/zinc/52/78/88/569527888.db2.gz YKUIWDOCWKLGNG-MMTVBGGISA-N 0 0 440.562 7.103 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000009380470 569527906 /nfs/dbraw/zinc/52/79/06/569527906.db2.gz BFKTYGRUIHVHPY-XMMPIXPASA-N 0 0 445.946 6.555 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1 ZINC000009380552 569527950 /nfs/dbraw/zinc/52/79/50/569527950.db2.gz RWXQMXUNKHPHCM-OAQYLSRUSA-N 0 0 448.316 5.540 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009380687 569527985 /nfs/dbraw/zinc/52/79/85/569527985.db2.gz JNEQRSUNGPWPNL-QFIPXVFZSA-N 0 0 433.891 5.440 50 30 IKEARN N#CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000009404404 569529663 /nfs/dbraw/zinc/52/96/63/569529663.db2.gz KFIXSVKNQLZXBG-JFLMPSFJSA-N 0 0 441.265 6.475 50 30 IKEARN C=CCn1c2ccccc2c2nnc(SCCCC(=O)c3ccc(C(C)(C)C)cc3)nc21 ZINC000009408838 569530701 /nfs/dbraw/zinc/53/07/01/569530701.db2.gz DVVFRKHOZRRVAG-UHFFFAOYSA-N 0 0 444.604 6.218 50 30 IKEARN C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000009410252 569531310 /nfs/dbraw/zinc/53/13/10/569531310.db2.gz QTUVQJSRVSPSKJ-UHFFFAOYSA-N 0 0 435.833 5.726 50 30 IKEARN O=c1c2c(nc(N/N=C/c3ccccc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000009410623 569531369 /nfs/dbraw/zinc/53/13/69/569531369.db2.gz DACJFTBFSSAZPH-TWKHWXDSSA-N 0 0 446.554 5.713 50 30 IKEARN C=CCn1c2ccccc2nc1SCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000009414082 569531959 /nfs/dbraw/zinc/53/19/59/569531959.db2.gz KQCDKNQGNPKNKA-UHFFFAOYSA-N 0 0 434.590 5.461 50 30 IKEARN Cc1ccc(C(=O)CSc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2C#N)cc1 ZINC000009419714 569532614 /nfs/dbraw/zinc/53/26/14/569532614.db2.gz RYXSNKQZXKZPBH-UHFFFAOYSA-N 0 0 446.475 5.548 50 30 IKEARN COc1cc(OC)cc(C(=O)/C(=C\c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)c1 ZINC000009420538 569532631 /nfs/dbraw/zinc/53/26/31/569532631.db2.gz NJGQVLWVLVSSBB-CPNJWEJPSA-N 0 0 430.416 5.177 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2O/C1=C\c1c(F)cccc1Cl ZINC000009420258 569532668 /nfs/dbraw/zinc/53/26/68/569532668.db2.gz JWJKFFLWSJNNSQ-JAIQZWGSSA-N 0 0 448.830 5.002 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c2ccccc21 ZINC000009421935 569532828 /nfs/dbraw/zinc/53/28/28/569532828.db2.gz WKKKPHVCKBADSO-ZVHZXABRSA-N 0 0 441.458 5.944 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)c2ccccc21 ZINC000009422684 569532897 /nfs/dbraw/zinc/53/28/97/569532897.db2.gz UREXVPYNLFKIIK-ZMOGYAJESA-N 0 0 427.431 5.636 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccccc4OC)ccc3C2=O)c2ccccc21 ZINC000009422462 569532900 /nfs/dbraw/zinc/53/29/00/569532900.db2.gz DYAJMHFFXWIEHA-VULFUBBASA-N 0 0 425.484 5.865 50 30 IKEARN COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 ZINC000009422871 569532917 /nfs/dbraw/zinc/53/29/17/569532917.db2.gz ATICBBYZAXWNOL-ZVHZXABRSA-N 0 0 439.467 5.331 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc(SCc3ccc(C#N)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000009423332 569532967 /nfs/dbraw/zinc/53/29/67/569532967.db2.gz DXFFEHIMWOHUBZ-INIZCTEOSA-N 0 0 429.511 6.287 50 30 IKEARN N#Cc1c(SCC(=O)NC2CCCCC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000009423976 569533000 /nfs/dbraw/zinc/53/30/00/569533000.db2.gz TYKZIUAEHDGGMJ-UHFFFAOYSA-N 0 0 425.501 5.242 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4F)c3C)C1=O)cn2C ZINC000009423644 569533022 /nfs/dbraw/zinc/53/30/22/569533022.db2.gz RNZYUJBZGAKCMM-BRJLIKDPSA-N 0 0 443.474 5.830 50 30 IKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424259 569533095 /nfs/dbraw/zinc/53/30/95/569533095.db2.gz UUMOJUBWCNJEIZ-JLCFBVMHSA-N 0 0 449.890 5.035 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000009424823 569533142 /nfs/dbraw/zinc/53/31/42/569533142.db2.gz FFUJAZBXOGCWLY-WCQPBMKCSA-N 0 0 431.561 5.483 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc32)cc1OC ZINC000009427571 569533351 /nfs/dbraw/zinc/53/33/51/569533351.db2.gz AJVXZQZIZXKFAP-JVWAILMASA-N 0 0 442.519 5.547 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C#N)[C@H]1c1cccs1 ZINC000009433263 569534555 /nfs/dbraw/zinc/53/45/55/569534555.db2.gz ZPNSYCMRUOZQQI-DHIUTWEWSA-N 0 0 429.545 5.195 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C#N)[C@H]1c1cccs1 ZINC000009433265 569534577 /nfs/dbraw/zinc/53/45/77/569534577.db2.gz ZPNSYCMRUOZQQI-XZOQPEGZSA-N 0 0 429.545 5.195 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009433836 569534616 /nfs/dbraw/zinc/53/46/16/569534616.db2.gz YQOXTSAJEXQPOE-QHCPKHFHSA-N 0 0 447.462 5.016 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009433843 569534662 /nfs/dbraw/zinc/53/46/62/569534662.db2.gz QTVOMAAFYBSOLN-JOCHJYFZSA-N 0 0 446.459 5.090 50 30 IKEARN COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1OC(C)=O ZINC000009433982 569534693 /nfs/dbraw/zinc/53/46/93/569534693.db2.gz QSUKHSAPCDIWRD-VWLOTQADSA-N 0 0 429.497 5.487 50 30 IKEARN COc1ccc(-c2oc(NC(=O)Cc3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000009434550 569534699 /nfs/dbraw/zinc/53/46/99/569534699.db2.gz BQNRXKCEVAXBMZ-UHFFFAOYSA-N 0 0 438.483 5.684 50 30 IKEARN C=CCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O ZINC000009435211 569534792 /nfs/dbraw/zinc/53/47/92/569534792.db2.gz KLBBBOFJNKBLAW-UHFFFAOYSA-N 0 0 437.135 5.065 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c2ncn3nc(CO/N=C/c4ccc(Cl)cc4)nc3c12 ZINC000009435372 569534806 /nfs/dbraw/zinc/53/48/06/569534806.db2.gz VXSONIWLWGALGC-RPPGKUMJSA-N 0 0 436.947 5.405 50 30 IKEARN CCc1cccc(CC)c1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000009443064 569535683 /nfs/dbraw/zinc/53/56/83/569535683.db2.gz RVLOVHDYKWXUDP-UHFFFAOYSA-N 0 0 428.561 5.523 50 30 IKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCc4ccccc4)nnc3c2CO1 ZINC000009446651 569535945 /nfs/dbraw/zinc/53/59/45/569535945.db2.gz CBOLXXKLUTYYHU-UHFFFAOYSA-N 0 0 441.560 5.488 50 30 IKEARN CSc1nnc(CCCNC(=O)c2ccccc2-c2ccccc2C#N)n1C1CCCC1 ZINC000009454707 569536665 /nfs/dbraw/zinc/53/66/65/569536665.db2.gz KUYYQYQYUUCLCX-UHFFFAOYSA-N 0 0 445.592 5.016 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000009462663 569537293 /nfs/dbraw/zinc/53/72/93/569537293.db2.gz QPSMUHWMGMTHMJ-MLKPGFSBSA-N 0 0 429.589 6.173 50 30 IKEARN CCc1cc(S[C@H](C)c2nnc(-c3ccccc3)o2)n2c3ccccc3nc2c1C#N ZINC000009468624 569538662 /nfs/dbraw/zinc/53/86/62/569538662.db2.gz GISRTWMRYGBLRX-OAHLLOKOSA-N 0 0 425.517 5.825 50 30 IKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2 ZINC000009476831 569539085 /nfs/dbraw/zinc/53/90/85/569539085.db2.gz YGYWXFZFWTVZJZ-UVSJPBNCSA-N 0 0 446.886 5.915 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009480224 569539396 /nfs/dbraw/zinc/53/93/96/569539396.db2.gz VXFFBEAWRRNHIE-UHFFFAOYSA-N 0 0 434.609 5.776 50 30 IKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000009494402 569540903 /nfs/dbraw/zinc/54/09/03/569540903.db2.gz PDRVXBFJQMIYBD-SFHVURJKSA-N 0 0 443.638 5.479 50 30 IKEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1Cl ZINC000009508065 569542209 /nfs/dbraw/zinc/54/22/09/569542209.db2.gz GXXWXUREHHRUHR-UHFFFAOYSA-N 0 0 448.910 5.692 50 30 IKEARN N#Cc1ccc(-n2c(SCCCC(=O)c3cccs3)nc3ccccc3c2=O)cc1 ZINC000009512111 569542900 /nfs/dbraw/zinc/54/29/00/569542900.db2.gz IVVBXIDHIOKSDV-UHFFFAOYSA-N 0 0 431.542 5.074 50 30 IKEARN N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000009517106 569543559 /nfs/dbraw/zinc/54/35/59/569543559.db2.gz WRZKECVQFDUESC-UHFFFAOYSA-N 0 0 442.540 6.144 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000009530891 569545086 /nfs/dbraw/zinc/54/50/86/569545086.db2.gz PUNJQDNEQDEVMZ-LHSJRXKWSA-N 0 0 425.315 6.248 50 30 IKEARN C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009548939 569546581 /nfs/dbraw/zinc/54/65/81/569546581.db2.gz XCMFLYGVLPHBDZ-JOCHJYFZSA-N 0 0 444.535 5.742 50 30 IKEARN COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1O ZINC000009553427 569546720 /nfs/dbraw/zinc/54/67/20/569546720.db2.gz SAVWUDZQPJJYQN-SANMLTNESA-N 0 0 440.499 5.222 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc(-c2cccs2)c2c1CCCC2 ZINC000009554222 569546791 /nfs/dbraw/zinc/54/67/91/569546791.db2.gz QQFAKSFIHZRQPD-UHFFFAOYSA-N 0 0 439.993 5.945 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1c(Cl)cccc1Cl ZINC000009577482 569548245 /nfs/dbraw/zinc/54/82/45/569548245.db2.gz GPQRKZJRYOKPNK-NDENLUEZSA-N 0 0 447.295 5.377 50 30 IKEARN C=CCn1c(SCC(=O)c2oc3ccccc3c2C)nnc1[C@@H]1COc2ccccc2O1 ZINC000009578519 569548345 /nfs/dbraw/zinc/54/83/45/569548345.db2.gz SWKGAJHBMAUKTG-NRFANRHFSA-N 0 0 447.516 5.006 50 30 IKEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000009585957 569549609 /nfs/dbraw/zinc/54/96/09/569549609.db2.gz UTBKBMBWSUQOAN-UHFFFAOYSA-N 0 0 445.935 5.190 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@@H](c3ccccc3Cl)C12 ZINC000009597402 569550962 /nfs/dbraw/zinc/55/09/62/569550962.db2.gz YJIAKZCIYDVBLB-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN CC(=[NH+]Cc1ccc(F)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000009635837 569554652 /nfs/dbraw/zinc/55/46/52/569554652.db2.gz HGMLPDPARCTNCY-JVWAILMASA-N 0 0 442.519 5.591 50 30 IKEARN C=CCNC(=S)N/N=C/c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 ZINC000009635934 569554665 /nfs/dbraw/zinc/55/46/65/569554665.db2.gz OVSHEMLXHIQVNM-WPWMEQJKSA-N 0 0 434.609 5.002 50 30 IKEARN CCOc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009731815 569564703 /nfs/dbraw/zinc/56/47/03/569564703.db2.gz ONSIDAQBKWUIQJ-HSZRJFAPSA-N 0 0 444.535 5.011 50 30 IKEARN CCOc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009731816 569564711 /nfs/dbraw/zinc/56/47/11/569564711.db2.gz ONSIDAQBKWUIQJ-QHCPKHFHSA-N 0 0 444.535 5.011 50 30 IKEARN N#CCSc1nc2c(sc(=S)n2CCc2ccccc2)c(=O)n1C1CCCCC1 ZINC000009775501 569567003 /nfs/dbraw/zinc/56/70/03/569567003.db2.gz RWPSYRNHTNIVFO-UHFFFAOYSA-N 0 0 442.635 5.353 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SC(c1ccccc1)c1ccccc1)CCCC3 ZINC000009779238 569567406 /nfs/dbraw/zinc/56/74/06/569567406.db2.gz ONFJZZGFYLCNGL-UHFFFAOYSA-N 0 0 444.625 6.405 50 30 IKEARN C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000009790734 569568210 /nfs/dbraw/zinc/56/82/10/569568210.db2.gz XLXWZEPFJNLZEQ-AWEZNQCLSA-N 0 0 431.920 5.199 50 30 IKEARN Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(C#N)c(C)c1C ZINC000009794515 569568406 /nfs/dbraw/zinc/56/84/06/569568406.db2.gz MONHPYVQMOUKCO-SFHVURJKSA-N 0 0 436.562 5.003 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@@H](c3ccccc3F)C12 ZINC000009856574 569571599 /nfs/dbraw/zinc/57/15/99/569571599.db2.gz PHBJNRDSUUILQZ-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(Cl)c4)nn32)cc1 ZINC000009856496 569571615 /nfs/dbraw/zinc/57/16/15/569571615.db2.gz JOFRKQLKNDNFEO-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@H](c3ccccc3F)C12 ZINC000009856569 569571623 /nfs/dbraw/zinc/57/16/23/569571623.db2.gz RMZBRMGTRPFGKU-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)cc1 ZINC000009856498 569571624 /nfs/dbraw/zinc/57/16/24/569571624.db2.gz ADNDRQUZAXNHGK-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)cc1 ZINC000009856499 569571627 /nfs/dbraw/zinc/57/16/27/569571627.db2.gz ADNDRQUZAXNHGK-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861340 569572025 /nfs/dbraw/zinc/57/20/25/569572025.db2.gz YWXRZJRAAOSIAX-HSZRJFAPSA-N 0 0 429.347 6.300 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2ncnc3sccc32)c1C#N ZINC000009866593 569572239 /nfs/dbraw/zinc/57/22/39/569572239.db2.gz OTHBLQLWCRSKAI-UHFFFAOYSA-N 0 0 425.583 5.217 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)S2)cc1C ZINC000009907459 569573145 /nfs/dbraw/zinc/57/31/45/569573145.db2.gz XNOKXFABQVUTMD-KGENOOAVSA-N 0 0 436.537 5.094 50 30 IKEARN CCOC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCC3)cc1 ZINC000009907617 569573200 /nfs/dbraw/zinc/57/32/00/569573200.db2.gz SXBOSDDPMOKAMX-VULFUBBASA-N 0 0 436.508 5.556 50 30 IKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc(Br)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000009933307 569573743 /nfs/dbraw/zinc/57/37/43/569573743.db2.gz NJYDEZOSBWRDCZ-RPWUZVMVSA-N 0 0 446.348 5.874 50 30 IKEARN CC(C)c1ccc(-c2c3c(nc(SCC(=O)Nc4ccccc4)c2C#N)CCC3)cc1 ZINC000009968633 569575926 /nfs/dbraw/zinc/57/59/26/569575926.db2.gz OCSVRSQSNVXWFK-UHFFFAOYSA-N 0 0 427.573 5.963 50 30 IKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1Cl ZINC000009969589 569576087 /nfs/dbraw/zinc/57/60/87/569576087.db2.gz VNIBCCUKEMSFMR-OAQYLSRUSA-N 0 0 437.879 5.110 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009969606 569576104 /nfs/dbraw/zinc/57/61/04/569576104.db2.gz DHZZBLSWDRXUME-HSZRJFAPSA-N 0 0 443.455 5.203 50 30 IKEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000009971261 569576285 /nfs/dbraw/zinc/57/62/85/569576285.db2.gz HUYXGJWAGCRFOS-UZSLGNBGSA-N 0 0 426.516 6.241 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1C1CCCCC1 ZINC000009983872 569576613 /nfs/dbraw/zinc/57/66/13/569576613.db2.gz ZTELNEOZMWRTBY-UHFFFAOYSA-N 0 0 449.418 5.314 50 30 IKEARN CC[C@@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000009971561 569576316 /nfs/dbraw/zinc/57/63/16/569576316.db2.gz NXLFEMSJJVDVJP-GOSISDBHSA-N 0 0 438.578 5.018 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013695 569577098 /nfs/dbraw/zinc/57/70/98/569577098.db2.gz WYWPCRNZUDUEQG-DEOSSOPVSA-N 0 0 432.539 5.631 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013569 569577107 /nfs/dbraw/zinc/57/71/07/569577107.db2.gz IMHRVJQTZDTWAW-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)nnc1-c1ccoc1C ZINC000010021851 569577235 /nfs/dbraw/zinc/57/72/35/569577235.db2.gz OLHSGHXMHJHEIK-UHFFFAOYSA-N 0 0 446.576 5.474 50 30 IKEARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010083084 569577716 /nfs/dbraw/zinc/57/77/16/569577716.db2.gz VXAJQVICSBSNIB-UHFFFAOYSA-N 0 0 437.927 5.454 50 30 IKEARN Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1 ZINC000010201668 569578951 /nfs/dbraw/zinc/57/89/51/569578951.db2.gz LCEKOKZRQRRBJG-SNVBAGLBSA-N 0 0 438.456 5.116 50 30 IKEARN C=CCn1c2ccccc2nc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000010237911 569579689 /nfs/dbraw/zinc/57/96/89/569579689.db2.gz DTXROJRAKAGJKG-UHFFFAOYSA-N 0 0 426.756 5.913 50 30 IKEARN N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000020042300 569587032 /nfs/dbraw/zinc/58/70/32/569587032.db2.gz SZVPCFOASTVRSZ-UHFFFAOYSA-N 0 0 437.528 5.002 50 30 IKEARN COc1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C ZINC000027527980 122575671 /nfs/dbraw/zinc/57/56/71/122575671.db2.gz BAQGGTWHWFIMHJ-AGGBOBLOSA-N 0 0 428.557 5.676 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1 ZINC000000985525 291397735 /nfs/dbraw/zinc/39/77/35/291397735.db2.gz KUNGZANNQKGWNF-UHFFFAOYSA-N 0 0 441.571 6.282 50 30 biogenic,in-vitro IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 ZINC000000631008 193863845 /nfs/dbraw/zinc/86/38/45/193863845.db2.gz GVFVTHRQZMBLLI-DXPJPUQTSA-N 0 0 444.918 6.048 50 30 IKEARN CCOc1ccc2nc3sc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(N)c3cc2c1 ZINC000006134262 193880041 /nfs/dbraw/zinc/88/00/41/193880041.db2.gz USDKUDZYCXPHNL-UHFFFAOYSA-N 0 0 448.573 5.495 50 30 IKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000006177752 193888450 /nfs/dbraw/zinc/88/84/50/193888450.db2.gz QAVGOCZZKVGYNY-JHMRYYBSSA-N 0 0 437.531 5.094 50 30 IKEARN COc1ccc(-c2cc(C3CC3)nc(SCC(=O)Nc3ccccc3Cl)c2C#N)cc1 ZINC000006181822 193888861 /nfs/dbraw/zinc/88/88/61/193888861.db2.gz PAHXADINDJNJJY-UHFFFAOYSA-N 0 0 449.963 5.890 50 30 IKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)o1 ZINC000008614961 132288680 /nfs/dbraw/zinc/28/86/80/132288680.db2.gz IFMHVLPNIQKVAR-UHFFFAOYSA-N 0 0 440.503 5.020 50 30 IKEARN N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccc(Cl)cc31)CCC2 ZINC000008856114 132296381 /nfs/dbraw/zinc/29/63/81/132296381.db2.gz ZENWZDSYMPICQH-UHFFFAOYSA-N 0 0 449.988 6.017 50 30 IKEARN Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1 ZINC000009335071 518218370 /nfs/dbraw/zinc/21/83/70/518218370.db2.gz BYLVTWNOBYXDAI-JFLMPSFJSA-N 0 0 441.332 6.592 50 30 IKEARN C#CCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C ZINC000002093929 518315631 /nfs/dbraw/zinc/31/56/31/518315631.db2.gz JNRVMJGWQKYZGA-UHFFFAOYSA-N 0 0 443.566 5.798 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000009295938 518317028 /nfs/dbraw/zinc/31/70/28/518317028.db2.gz ONLPZLXFPNNZMR-BOPFTXTBSA-N 0 0 434.300 5.255 50 30 IKEARN C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1 ZINC000012342942 518455140 /nfs/dbraw/zinc/45/51/40/518455140.db2.gz WLRGDZXANHXURB-QRQIAZFYSA-N 0 0 441.512 5.926 50 30 IKEARN C/C(=N/OCc1ccccc1C#N)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843462 518457817 /nfs/dbraw/zinc/45/78/17/518457817.db2.gz HLNPWUWOEAAEOC-GTWSWNCMSA-N 0 0 437.518 6.713 50 30 IKEARN C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843460 518457918 /nfs/dbraw/zinc/45/79/18/518457918.db2.gz OMHJHUJPRHIDOT-OFWBYEQRSA-N 0 0 426.535 7.149 50 30 IKEARN C/C(=N\Nc1c(Cl)cncc1Cl)c1cc2cc(Br)ccc2oc1=O ZINC000012343288 518463836 /nfs/dbraw/zinc/46/38/36/518463836.db2.gz FUPDQRULPJWESU-ODCIPOBUSA-N 0 0 427.085 5.093 50 30 IKEARN C/C(=N\NC(=S)NC(C)(C)C)c1sc(-c2ncc(C(F)(F)F)cc2Cl)nc1C ZINC000012369895 518464099 /nfs/dbraw/zinc/46/40/99/518464099.db2.gz DFVMWRWYXNWUGH-YCPBAFNGSA-N 0 0 449.955 5.172 50 30 IKEARN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000013893634 518466558 /nfs/dbraw/zinc/46/65/58/518466558.db2.gz HPAOCGFJUZYEFB-YZSQISJMSA-N 0 0 444.516 6.133 50 30 IKEARN C/C(=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1 ZINC000012650709 518469057 /nfs/dbraw/zinc/46/90/57/518469057.db2.gz BAZSWVFNELLLQD-JVWAILMASA-N 0 0 444.560 5.135 50 30 IKEARN C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000013564406 518584648 /nfs/dbraw/zinc/58/46/48/518584648.db2.gz FYGNZWIUSAWRQA-RRPNLBNLSA-N 0 0 439.555 5.041 50 30 IKEARN CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000035895320 518595637 /nfs/dbraw/zinc/59/56/37/518595637.db2.gz SDLIEYULIJAVBE-KKUQBAQOSA-N 0 0 431.539 5.982 50 30 IKEARN C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2cc1Cl ZINC000009134513 518612093 /nfs/dbraw/zinc/61/20/93/518612093.db2.gz NHCGUXIIHOFNOL-UHFFFAOYSA-N 0 0 436.895 5.372 50 30 IKEARN C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 ZINC000012475098 518613516 /nfs/dbraw/zinc/61/35/16/518613516.db2.gz KEIPVPAPVZOVCH-UHFFFAOYSA-N 0 0 431.414 5.081 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)cc3)c2c1 ZINC000011866444 518616540 /nfs/dbraw/zinc/61/65/40/518616540.db2.gz BCEACQWQOXGUAK-UHFFFAOYSA-N 0 0 427.500 6.624 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002294371 518624515 /nfs/dbraw/zinc/62/45/15/518624515.db2.gz OGBCOTWFFJMYAK-UHFFFAOYSA-N 0 0 434.649 6.842 50 30 biogenic IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002183461 518625014 /nfs/dbraw/zinc/62/50/14/518625014.db2.gz YAMQBWHQAPQMQQ-SFHVURJKSA-N 0 0 438.662 6.326 50 30 IKEARN C=C(C)CSc1nnc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000039976025 518626495 /nfs/dbraw/zinc/62/64/95/518626495.db2.gz ARYUMAQZFJAVMX-IBGZPJMESA-N 0 0 441.647 5.399 50 30 IKEARN C=C(C)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 ZINC000001241886 518626508 /nfs/dbraw/zinc/62/65/08/518626508.db2.gz DXFNYLFUTDNYGX-UHFFFAOYSA-N 0 0 429.574 5.711 50 30 IKEARN C=C(C)CSc1nnc2n1c(=O)c1c(n2CC(=C)C)-c2ccccc2CC12CCCCC2 ZINC000002372018 518626743 /nfs/dbraw/zinc/62/67/43/518626743.db2.gz QNYRSILYQOEEJU-UHFFFAOYSA-N 0 0 446.620 5.560 50 30 IKEARN C=C(C)CSc1nnc2n1-c1nnc(SCC(=C)C)n1-c1sc3c(c1-2)CCCC3 ZINC000001247263 518627044 /nfs/dbraw/zinc/62/70/44/518627044.db2.gz YCIZGKXWFYFWCC-UHFFFAOYSA-N 0 0 442.639 5.105 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]12 ZINC000254397364 518645240 /nfs/dbraw/zinc/64/52/40/518645240.db2.gz FVWJYYTZTCVBKE-YLGWIKJRSA-N 0 0 442.728 6.997 50 30 IKEARN C=CC=C(SC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000009317454 518656206 /nfs/dbraw/zinc/65/62/06/518656206.db2.gz DIAHCWJBJROACT-MFOYZWKCSA-N 0 0 428.604 5.158 50 30 IKEARN C=C1[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000013304914 518667558 /nfs/dbraw/zinc/66/75/58/518667558.db2.gz RVFAOPJSTKZSIX-HZPDHXFCSA-N 0 0 430.118 5.680 50 30 IKEARN C=C1[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000001462545 518668391 /nfs/dbraw/zinc/66/83/91/518668391.db2.gz RVFAOPJSTKZSIX-HOTGVXAUSA-N 0 0 430.118 5.680 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)s2)C[C@H]2CCCO2)o1 ZINC000036203566 518698913 /nfs/dbraw/zinc/69/89/13/518698913.db2.gz AZNSZVCTZFAKBK-OAQYLSRUSA-N 0 0 429.626 5.951 50 30 IKEARN C=CCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccccc2)cs1 ZINC000015608256 518733969 /nfs/dbraw/zinc/73/39/69/518733969.db2.gz SCIBXCQJYQFECW-HSZRJFAPSA-N 0 0 429.545 5.293 50 30 IKEARN C=CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 ZINC000009433154 518737101 /nfs/dbraw/zinc/73/71/01/518737101.db2.gz SNTCFGIOXNQWRE-DQEYMECFSA-N 0 0 444.600 5.904 50 30 IKEARN C=CCN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1ccccc1 ZINC000021915227 518737448 /nfs/dbraw/zinc/73/74/48/518737448.db2.gz KAUJGOVAGVZLPR-UHFFFAOYSA-N 0 0 425.532 5.356 50 30 IKEARN C=CCN(C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000012821867 518739138 /nfs/dbraw/zinc/73/91/38/518739138.db2.gz QSXWDTAAZFVDCU-UHFFFAOYSA-N 0 0 431.420 5.153 50 30 IKEARN C=CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1nc(-c2ccccc2)cs1 ZINC000019203892 518740247 /nfs/dbraw/zinc/74/02/47/518740247.db2.gz WLKMAFQAZYVFNM-UHFFFAOYSA-N 0 0 433.558 5.775 50 30 IKEARN C=CCN(C(=O)c1cccnc1SCc1c(C)noc1C)c1nc2c(s1)CCCC2 ZINC000032719087 518740712 /nfs/dbraw/zinc/74/07/12/518740712.db2.gz JCBKAUBUFJAXIA-UHFFFAOYSA-N 0 0 440.594 5.147 50 30 IKEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000013138349 518765409 /nfs/dbraw/zinc/76/54/09/518765409.db2.gz LAFGWQRWZGBUCE-UHFFFAOYSA-N 0 0 438.984 5.189 50 30 IKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)Nc1ccc(C)cc1 ZINC000036115090 518796022 /nfs/dbraw/zinc/79/60/22/518796022.db2.gz FBFAAOJVLVHWLU-UHFFFAOYSA-N 0 0 435.593 6.374 50 30 IKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(Cl)cc1 ZINC000036031730 518796728 /nfs/dbraw/zinc/79/67/28/518796728.db2.gz UYPXNJHWRLFXGN-UHFFFAOYSA-N 0 0 426.969 5.821 50 30 IKEARN C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC)c1 ZINC000035979831 518801825 /nfs/dbraw/zinc/80/18/25/518801825.db2.gz ZRYKPVCICUEQHU-UHFFFAOYSA-N 0 0 430.335 5.075 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1Cl ZINC000012891976 518816651 /nfs/dbraw/zinc/81/66/51/518816651.db2.gz REMBHUYNBJALCE-UHFFFAOYSA-N 0 0 440.952 5.282 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S ZINC000019798302 518824401 /nfs/dbraw/zinc/82/44/01/518824401.db2.gz SDJHHVOKJHTZSI-WQRHYEAKSA-N 0 0 449.956 5.454 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S ZINC000013809710 518831959 /nfs/dbraw/zinc/83/19/59/518831959.db2.gz GDVIPIGFMFXACN-CPNJWEJPSA-N 0 0 435.526 5.348 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccccc3Cl)c2)SC1=S ZINC000012343719 518833586 /nfs/dbraw/zinc/83/35/86/518833586.db2.gz OOTZKPQJCFBXAU-HMMYKYKNSA-N 0 0 445.993 5.575 50 30 IKEARN C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(\C)c1ccc(F)cc1 ZINC000019800819 518847724 /nfs/dbraw/zinc/84/77/24/518847724.db2.gz QEDZPCJTDQBXSY-SUPWZFAMSA-N 0 0 449.473 5.297 50 30 IKEARN C=CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000027489096 518853268 /nfs/dbraw/zinc/85/32/68/518853268.db2.gz KYCLETROIHSORM-XMMPIXPASA-N 0 0 443.344 6.329 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3cccc4ccccc43)cc2-c2ccccc2S1(=O)=O ZINC000033271894 518875949 /nfs/dbraw/zinc/87/59/49/518875949.db2.gz NOGKAOAMDQJIJD-UHFFFAOYSA-N 0 0 440.524 5.454 50 30 IKEARN C=CCNC(=O)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000002065397 518880255 /nfs/dbraw/zinc/88/02/55/518880255.db2.gz BCCVPYSEHREEFF-GHVJWSGMSA-N 0 0 448.975 5.533 50 30 IKEARN C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000002449261 518949381 /nfs/dbraw/zinc/94/93/81/518949381.db2.gz QZKDVHUVNNHPQY-LGJNPRDNSA-N 0 0 446.016 5.343 50 30 IKEARN C=CCNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1 ZINC000008873831 518961542 /nfs/dbraw/zinc/96/15/42/518961542.db2.gz OWJQTQAYKKOLID-UHFFFAOYSA-N 0 0 448.444 6.966 50 30 IKEARN CC(C)(C)c1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O ZINC000012381543 518990285 /nfs/dbraw/zinc/99/02/85/518990285.db2.gz XOPUESJIOIAWEL-PKAZHMFMSA-N 0 0 428.020 5.797 50 30 IKEARN C=CCOc1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1OCC ZINC000036245346 519000144 /nfs/dbraw/zinc/00/01/44/519000144.db2.gz WEJKNKHXSKYPOW-CSKARUKUSA-N 0 0 426.310 5.837 50 30 IKEARN C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000012908864 519010981 /nfs/dbraw/zinc/01/09/81/519010981.db2.gz HXXFQLGKLAWEKU-UYRXBGFRSA-N 0 0 425.941 5.078 50 30 IKEARN C=CCOc1ccc(/C=C(/C(=O)c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1 ZINC000008779097 519011461 /nfs/dbraw/zinc/01/14/61/519011461.db2.gz VLUPEUDLWZGSSO-CLCOLTQESA-N 0 0 439.511 6.605 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC ZINC000009232820 519015530 /nfs/dbraw/zinc/01/55/30/519015530.db2.gz DYYFOROXQUWCDA-YBFXNURJSA-N 0 0 449.956 5.848 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000013551470 519030081 /nfs/dbraw/zinc/03/00/81/519030081.db2.gz FNUUFYIDPPKJOL-NOZRDPDXSA-N 0 0 445.450 5.541 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000012194259 519030547 /nfs/dbraw/zinc/03/05/47/519030547.db2.gz FJEKASOJDJPVBY-YIXXDRMTSA-N 0 0 442.515 5.511 50 30 IKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002077028 519030556 /nfs/dbraw/zinc/03/05/56/519030556.db2.gz BXFDDFILJYVWMO-UHFFFAOYSA-N 0 0 449.591 5.575 50 30 IKEARN C=CCOc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1 ZINC000013141525 519033700 /nfs/dbraw/zinc/03/37/00/519033700.db2.gz IZFHMOUHDJLIDZ-UHFFFAOYSA-N 0 0 442.588 5.833 50 30 IKEARN C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000020892394 519049517 /nfs/dbraw/zinc/04/95/17/519049517.db2.gz WPCHVZGVYJGXNQ-OAQYLSRUSA-N 0 0 425.941 5.174 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2Cc1cccc(C(F)(F)F)c1 ZINC000035924520 519064027 /nfs/dbraw/zinc/06/40/27/519064027.db2.gz UFVGNFNSVTWAKT-UHFFFAOYSA-N 0 0 430.470 5.659 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NCc1ccccc1)n2Cc1cc(F)ccc1F ZINC000035927875 519064200 /nfs/dbraw/zinc/06/42/00/519064200.db2.gz AYPRRJAWQWCFHZ-UHFFFAOYSA-N 0 0 432.470 5.463 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2Cc1ccc(F)cc1F ZINC000035924523 519064317 /nfs/dbraw/zinc/06/43/17/519064317.db2.gz DJJDQJIPKHNDOD-UHFFFAOYSA-N 0 0 446.497 6.402 50 30 IKEARN C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087842 519083357 /nfs/dbraw/zinc/08/33/57/519083357.db2.gz RSLWXNJEVJLTSX-UHFFFAOYSA-N 0 0 429.294 7.143 50 30 IKEARN C=CCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@@](C)(CC)Cc2ccccc2-1 ZINC000002375513 519093111 /nfs/dbraw/zinc/09/31/11/519093111.db2.gz QYMZBLJVEQHERN-SANMLTNESA-N 0 0 442.588 5.108 50 30 IKEARN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1scc([O-])[n+]1-c1ccc(C)cc1 ZINC000025560101 519121495 /nfs/dbraw/zinc/12/14/95/519121495.db2.gz NOLUZRYEKYMDJC-UHFFFAOYSA-N 0 0 441.001 5.618 50 30 IKEARN C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccccc1 ZINC000044085767 519148376 /nfs/dbraw/zinc/14/83/76/519148376.db2.gz WTWVPSZPHWQICV-UHFFFAOYSA-N 0 0 428.355 5.229 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(Cl)c1Cl ZINC000027015891 519148747 /nfs/dbraw/zinc/14/87/47/519148747.db2.gz NLZKYLLDXPJXAY-DAFNUICNSA-N 0 0 432.376 6.209 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccccc1Cl ZINC000245226349 519149865 /nfs/dbraw/zinc/14/98/65/519149865.db2.gz SFFRKNZZMKEFCL-UHFFFAOYSA-N 0 0 435.936 6.134 50 30 IKEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000044085749 519151039 /nfs/dbraw/zinc/15/10/39/519151039.db2.gz UBKLYJDDSISYJX-UHFFFAOYSA-N 0 0 428.901 5.029 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(F)cc1Cl)CCCCC3 ZINC000003336594 519158943 /nfs/dbraw/zinc/15/89/43/519158943.db2.gz TWGPDZIPMMPVFB-UHFFFAOYSA-N 0 0 434.989 5.998 50 30 IKEARN C=CCn1c(CN(C)Cc2ccc(-c3ccccc3C)cc2)nnc1SC[C@@H]1CCCO1 ZINC000055182729 519179557 /nfs/dbraw/zinc/17/95/57/519179557.db2.gz QWBYJVSUEFAZFR-QHCPKHFHSA-N 0 0 448.636 5.343 50 30 IKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1c(F)cccc1Cl ZINC000013843837 519183197 /nfs/dbraw/zinc/18/31/97/519183197.db2.gz UUNRDWZPIRDXAT-UHFFFAOYSA-N 0 0 445.991 6.425 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000009307673 519185499 /nfs/dbraw/zinc/18/54/99/519185499.db2.gz PWEYYZISCIRZHR-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000012788172 519191009 /nfs/dbraw/zinc/19/10/09/519191009.db2.gz KQWLXFUCIGLKKH-CQSZACIVSA-N 0 0 431.920 5.199 50 30 IKEARN C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccoc1C ZINC000013117224 519200588 /nfs/dbraw/zinc/20/05/88/519200588.db2.gz PMEYFXMFIKEJMN-UHFFFAOYSA-N 0 0 436.581 5.491 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1C ZINC000002355494 519211964 /nfs/dbraw/zinc/21/19/64/519211964.db2.gz GFCJMTFRPJKUQA-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(C)c1 ZINC000002447668 519212924 /nfs/dbraw/zinc/21/29/24/519212924.db2.gz LBXSJSCFRBUDBZ-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000009307519 519213123 /nfs/dbraw/zinc/21/31/23/519213123.db2.gz WCRPHRAPCVDZSM-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2ccccc2n1 ZINC000000816368 519216139 /nfs/dbraw/zinc/21/61/39/519216139.db2.gz SWTSURAYEJKJNG-UHFFFAOYSA-N 0 0 429.549 5.027 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000015018912 519218302 /nfs/dbraw/zinc/21/83/02/519218302.db2.gz DKFCSSWRSRFWLQ-UHFFFAOYSA-N 0 0 442.903 5.401 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000012379133 519222152 /nfs/dbraw/zinc/22/21/52/519222152.db2.gz MLTONZZBNYIBJT-UHFFFAOYSA-N 0 0 443.016 5.316 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000013513308 519222296 /nfs/dbraw/zinc/22/22/96/519222296.db2.gz NHYUOJUKPZJWPQ-UHFFFAOYSA-N 0 0 435.574 5.145 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002544701 519222754 /nfs/dbraw/zinc/22/27/54/519222754.db2.gz UFCKIACKAZXZJH-UHFFFAOYSA-N 0 0 436.581 5.168 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(OC)cc1 ZINC000002444439 519223589 /nfs/dbraw/zinc/22/35/89/519223589.db2.gz LLFFGYWZILMYNO-UHFFFAOYSA-N 0 0 436.581 5.168 50 30 IKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)nnc1C(C)C ZINC000017095596 519225672 /nfs/dbraw/zinc/22/56/72/519225672.db2.gz RUVYCEPEUWPOPE-UHFFFAOYSA-N 0 0 427.599 5.059 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002292164 519231263 /nfs/dbraw/zinc/23/12/63/519231263.db2.gz ZBYISUQVRYYTTR-CYBMUJFWSA-N 0 0 445.009 5.397 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000003267514 519231795 /nfs/dbraw/zinc/23/17/95/519231795.db2.gz ZSTFECXNXDJWGP-UHFFFAOYSA-N 0 0 438.618 5.405 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1[C@H]1COc2ccccc2O1 ZINC000009605893 519233165 /nfs/dbraw/zinc/23/31/65/519233165.db2.gz IIWIDWWVLSOZEH-HSZRJFAPSA-N 0 0 443.528 5.105 50 30 IKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2sc(-c3ccccc3)cc2c1=O ZINC000001896246 519238534 /nfs/dbraw/zinc/23/85/34/519238534.db2.gz PTUVHTQLOQYLAU-UHFFFAOYSA-N 0 0 446.641 6.901 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc(OC)cc(OC)c1 ZINC000035847678 519240087 /nfs/dbraw/zinc/24/00/87/519240087.db2.gz AQTBPGABTPVYIP-UHFFFAOYSA-N 0 0 436.364 5.747 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 ZINC000013110217 519240162 /nfs/dbraw/zinc/24/01/62/519240162.db2.gz DLXLREYHFKOVOH-SFHVURJKSA-N 0 0 434.348 5.576 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000035847686 519240629 /nfs/dbraw/zinc/24/06/29/519240629.db2.gz HIUYFQRTQFBYKP-UHFFFAOYSA-N 0 0 436.364 5.747 50 30 IKEARN C=CCn1c(SCc2cccc(C(=O)NCc3ccc(F)cc3)c2)nnc1-c1ccco1 ZINC000096292061 519241596 /nfs/dbraw/zinc/24/15/96/519241596.db2.gz ZGTPQSOQWKIYIP-UHFFFAOYSA-N 0 0 448.523 5.086 50 30 IKEARN C=CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002222936 519241806 /nfs/dbraw/zinc/24/18/06/519241806.db2.gz BOCFYODNFBMCMG-UHFFFAOYSA-N 0 0 442.628 6.455 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccncc1 ZINC000014247586 519245380 /nfs/dbraw/zinc/24/53/80/519245380.db2.gz BTBVHDYQOFRAKW-UHFFFAOYSA-N 0 0 435.578 5.341 50 30 IKEARN C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000017095675 519245515 /nfs/dbraw/zinc/24/55/15/519245515.db2.gz HZBVHBGKSMFTNF-KRWDZBQOSA-N 0 0 428.001 6.673 50 30 IKEARN C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nc2ccccc21 ZINC000011650450 519246477 /nfs/dbraw/zinc/24/64/77/519246477.db2.gz YAESIGUITAGELE-UHFFFAOYSA-N 0 0 434.590 5.964 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C ZINC000013020033 519257664 /nfs/dbraw/zinc/25/76/64/519257664.db2.gz BDNPSYOEYREVBD-CYBMUJFWSA-N 0 0 436.459 5.171 50 30 IKEARN C=CCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccccc1OC ZINC000095946820 519259264 /nfs/dbraw/zinc/25/92/64/519259264.db2.gz GNCPNUPHSWYIOJ-UHFFFAOYSA-N 0 0 426.851 5.358 50 30 IKEARN CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000012856308 519259150 /nfs/dbraw/zinc/25/91/50/519259150.db2.gz BEFUWMVQNXRZDW-WRONEBCDSA-N 0 0 438.571 7.337 50 30 IKEARN C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013114907 519259806 /nfs/dbraw/zinc/25/98/06/519259806.db2.gz GWKHTAVDCJCUSM-QGZVFWFLSA-N 0 0 445.592 6.332 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC(F)F)c(OC)c3)c12 ZINC000012684756 519266020 /nfs/dbraw/zinc/26/60/20/519266020.db2.gz LKUKKQSCWUCMMG-PKNBQFBNSA-N 0 0 437.446 5.290 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)cc(Cl)c3OC)c12 ZINC000035178734 519267314 /nfs/dbraw/zinc/26/73/14/519267314.db2.gz KWVMQIZNTAUQOB-KTKRTIGZSA-N 0 0 440.330 5.995 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3c(C)nn(CC(C)C)c3Cl)c12 ZINC000096925863 519267563 /nfs/dbraw/zinc/26/75/63/519267563.db2.gz VBXQUIUFBWOYQF-QXMHVHEDSA-N 0 0 435.959 5.494 50 30 IKEARN C=CCn1c2ccccc2nc1SCc1nnc(-c2ccccc2Br)o1 ZINC000009670054 519268919 /nfs/dbraw/zinc/26/89/19/519268919.db2.gz RKKYVWGUUVCGHT-UHFFFAOYSA-N 0 0 427.327 5.327 50 30 IKEARN C=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095676761 519294251 /nfs/dbraw/zinc/29/42/51/519294251.db2.gz UCRSPYLHWASUKR-UHFFFAOYSA-N 0 0 440.102 5.047 50 30 IKEARN C=C[C@H]1C=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]21 ZINC000091297402 519300689 /nfs/dbraw/zinc/30/06/89/519300689.db2.gz PTIHDIXARMLYBE-XDAJTCOGSA-N 0 0 438.567 6.257 50 30 IKEARN CC(C)(O)C#Cc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(O)c2)cc1 ZINC000020999283 519332447 /nfs/dbraw/zinc/33/24/47/519332447.db2.gz ZHFAJQYSASOATN-NDEPHWFRSA-N 0 0 436.555 5.144 50 30 IKEARN CC(C)Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Br)cc3)n2)cc1 ZINC000013658240 519430891 /nfs/dbraw/zinc/43/08/91/519430891.db2.gz CFWITKNMMCOARG-XHPQRKPJSA-N 0 0 439.382 6.111 50 30 IKEARN CC(=O)N(c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F ZINC000096129812 519474559 /nfs/dbraw/zinc/47/45/59/519474559.db2.gz AMTZHCDQPTVLJV-JYRVWZFOSA-N 0 0 444.434 5.294 50 30 IKEARN CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1)c1c(C)cccc1C ZINC000096305200 519476290 /nfs/dbraw/zinc/47/62/90/519476290.db2.gz LPDAQFYGEIOTBQ-QXMHVHEDSA-N 0 0 444.478 6.359 50 30 IKEARN CC(C)CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2c(Cl)cccc2Cl)C1=O ZINC000003069877 519609476 /nfs/dbraw/zinc/60/94/76/519609476.db2.gz SPPJFZOSDLPQHZ-CLCOLTQESA-N 0 0 439.726 5.487 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@]21C ZINC000257348658 519645554 /nfs/dbraw/zinc/64/55/54/519645554.db2.gz HVEXIRSOIACQFA-UPBWCNJYSA-N 0 0 430.677 7.378 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350702 519645799 /nfs/dbraw/zinc/64/57/99/519645799.db2.gz ZJFYDPFCQFKJHC-AXNXTQODSA-N 0 0 430.677 7.740 50 30 IKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257348901 519646007 /nfs/dbraw/zinc/64/60/07/519646007.db2.gz JVBJMRIVVNLPKI-HZGIUJRKSA-N 0 0 433.677 6.024 50 30 IKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2)CC(C)C ZINC000013682392 519717862 /nfs/dbraw/zinc/71/78/62/519717862.db2.gz JQULBHOFWPHMQW-AFPJDJCSSA-N 0 0 448.390 6.429 50 30 IKEARN CC(=O)Nc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000017179840 519727562 /nfs/dbraw/zinc/72/75/62/519727562.db2.gz KGYNRTBLXDPDRW-UHFFFAOYSA-N 0 0 425.536 5.958 50 30 IKEARN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000014605388 519734769 /nfs/dbraw/zinc/73/47/69/519734769.db2.gz GDMYJMAPRZGDDJ-SANMLTNESA-N 0 0 431.580 5.075 50 30 IKEARN CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000013568552 519781640 /nfs/dbraw/zinc/78/16/40/519781640.db2.gz VNLHLXBIHDGYKZ-QYBDOPJKSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Oc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000038534884 519782076 /nfs/dbraw/zinc/78/20/76/519782076.db2.gz YAGABWFIBDLYFJ-MUFRIFMGSA-N 0 0 436.467 7.362 50 30 IKEARN CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000013568543 519784923 /nfs/dbraw/zinc/78/49/23/519784923.db2.gz XNPQQCZYFCCLKP-MRDQGFSESA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 ZINC000013570026 519834265 /nfs/dbraw/zinc/83/42/65/519834265.db2.gz GGUKEGPZIBBTMC-QFEZKATASA-N 0 0 428.484 5.548 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102607556 519839379 /nfs/dbraw/zinc/83/93/79/519839379.db2.gz KKJNQEZOLFNTKR-HOGKFDNTSA-N 0 0 435.907 5.678 50 30 IKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000021722891 519883943 /nfs/dbraw/zinc/88/39/43/519883943.db2.gz AIWDFLWXFYSPMZ-XMMPIXPASA-N 0 0 433.552 5.431 50 30 IKEARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000008997103 519903436 /nfs/dbraw/zinc/90/34/36/519903436.db2.gz QVVUBRKUPNRMHT-QHCPKHFHSA-N 0 0 435.593 5.206 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000018116547 519910874 /nfs/dbraw/zinc/91/08/74/519910874.db2.gz LFYMAAVEQYMJLZ-VWLOTQADSA-N 0 0 447.535 5.928 50 30 IKEARN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253586541 519938929 /nfs/dbraw/zinc/93/89/29/519938929.db2.gz DOMWKUIIPQCAJU-IHFIBMCWSA-N 0 0 428.613 5.970 50 30 IKEARN CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681788 519945214 /nfs/dbraw/zinc/94/52/14/519945214.db2.gz JNMMIYWYYKPWFO-BQYQJAHWSA-N 0 0 430.248 7.252 50 30 IKEARN CCCCCCC[NH+]=C(CC)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000102990262 519960995 /nfs/dbraw/zinc/96/09/95/519960995.db2.gz MGEZIJXPNADMCO-QFEZKATASA-N 0 0 438.519 6.376 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@@H](C)CC ZINC000102991035 519961491 /nfs/dbraw/zinc/96/14/91/519961491.db2.gz DILPGWNXQGHZIB-QHCPKHFHSA-N 0 0 440.628 5.839 50 30 IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000072400086 519970284 /nfs/dbraw/zinc/97/02/84/519970284.db2.gz NKQFKJYKCVDLPT-KHPPLWFESA-N 0 0 440.624 8.044 50 30 in-vitro IKEARN CCCCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1 ZINC000102996141 519971711 /nfs/dbraw/zinc/97/17/11/519971711.db2.gz VACAQHZYAVJWPY-UHFFFAOYSA-N 0 0 428.646 5.585 50 30 IKEARN CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252441228 519980186 /nfs/dbraw/zinc/98/01/86/519980186.db2.gz LBERVHLCXUMDOT-SYHBSSCQSA-N 0 0 442.684 7.571 50 30 IKEARN CCCCCCCCCCCC(=O)N1CCC2(CC1)Nc1cc(Cl)ccc1C(=O)N2 ZINC000102999836 519982186 /nfs/dbraw/zinc/98/21/86/519982186.db2.gz KLGJQHXSQTZZKY-UHFFFAOYSA-N 0 0 434.024 5.735 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000008449914 519983316 /nfs/dbraw/zinc/98/33/16/519983316.db2.gz VGVWHIWQHBELQY-UHFFFAOYSA-N 0 0 429.004 7.452 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000064858533 519992514 /nfs/dbraw/zinc/99/25/14/519992514.db2.gz FKWHKBXVLNKTGT-UHFFFAOYSA-N 0 0 442.688 7.794 50 30 in-vitro IKEARN CCCCCCCCCCCCCCCCCC(=O)O/N=C1\CCc2cc(OC)ccc21 ZINC000008427260 519992685 /nfs/dbraw/zinc/99/26/85/519992685.db2.gz HAWPHJBFQGNYHZ-ORIPQNMZSA-N 0 0 443.672 8.150 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@]1(CO)CCCO1 ZINC000101020996 519994854 /nfs/dbraw/zinc/99/48/54/519994854.db2.gz NNCZMROTQMDGEM-VWLOTQADSA-N 0 0 427.670 6.516 50 30 IKEARN CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1 ZINC000100990526 520000438 /nfs/dbraw/zinc/00/04/38/520000438.db2.gz ZILOAZTVOLFCRO-UHFFFAOYSA-N 0 0 431.086 7.145 50 30 IKEARN CCCCCCCCCCCCCCCCNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000096021522 520001885 /nfs/dbraw/zinc/00/18/85/520001885.db2.gz VQQZTFUBNMNCQU-UHFFFAOYSA-N 0 0 446.683 8.561 50 30 IKEARN CCCCCCCCCCCCCCC[C@H](O)CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094920 520005866 /nfs/dbraw/zinc/00/58/66/520005866.db2.gz PWZJXSPDNGIODC-GOTSBHOMSA-O 0 0 444.677 5.311 50 30 in-vitro IKEARN CCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(C)=O ZINC000097997098 520010222 /nfs/dbraw/zinc/01/02/22/520010222.db2.gz ZFYRMQFKUCQZMW-DEOSSOPVSA-N 0 0 446.632 5.052 50 30 IKEARN CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000230006041 520011189 /nfs/dbraw/zinc/01/11/89/520011189.db2.gz WHLBCNRCXJZXMF-VNXMGFANSA-N 0 0 428.610 5.320 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097952975 520017596 /nfs/dbraw/zinc/01/75/96/520017596.db2.gz MUUVYRSJUZVUTP-XMMPIXPASA-N 0 0 445.651 7.396 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954680 520018011 /nfs/dbraw/zinc/01/80/11/520018011.db2.gz ZIAWBIRTRVUACD-XMMPIXPASA-N 0 0 445.651 7.396 50 30 IKEARN CCCCCCCCCCOC(=O)c1cccc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000102102974 520020950 /nfs/dbraw/zinc/02/09/50/520020950.db2.gz ZHPZKCMNKIXXJZ-UHFFFAOYSA-N 0 0 443.500 6.544 50 30 IKEARN CCCCCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 ZINC000100858387 520021119 /nfs/dbraw/zinc/02/11/19/520021119.db2.gz CKOIOZPSWBGYQT-JJKYIXSRSA-N 0 0 449.635 7.682 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O ZINC000002062877 520022240 /nfs/dbraw/zinc/02/22/40/520022240.db2.gz MKKYDYZZUMRNHG-UHFFFAOYSA-N 0 0 435.564 6.402 50 30 IKEARN CCCCCCCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000102818095 520029208 /nfs/dbraw/zinc/02/92/08/520029208.db2.gz OVGQHQKHUOFDFI-UHFFFAOYSA-N 0 0 444.579 6.372 50 30 IKEARN CCCCCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000097950524 520030681 /nfs/dbraw/zinc/03/06/81/520030681.db2.gz PXFVKROMEQHXED-UHFFFAOYSA-N 0 0 449.020 5.120 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1 ZINC000103038249 520042756 /nfs/dbraw/zinc/04/27/56/520042756.db2.gz FPAHKPIGHJWKQI-RELWKKBWSA-N 0 0 440.634 6.654 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 ZINC000097997900 520043242 /nfs/dbraw/zinc/04/32/42/520043242.db2.gz VRQNXTFIYLKSON-QLYXXIJNSA-N 0 0 449.591 6.949 50 30 IKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccccc1 ZINC000050860251 520047918 /nfs/dbraw/zinc/04/79/18/520047918.db2.gz VSFDCALZSHNYNN-UHFFFAOYSA-N 0 0 438.619 7.225 50 30 IKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1 ZINC000050704702 520048063 /nfs/dbraw/zinc/04/80/63/520048063.db2.gz ARPKSXSDHKDPJO-UHFFFAOYSA-N 0 0 445.010 7.968 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(/N=C3\c4cc(F)ccc4NC3=O)cc2)cc1 ZINC000033355895 520050183 /nfs/dbraw/zinc/05/01/83/520050183.db2.gz JYBTVXGFPCGVBM-UHFFFAOYSA-N 0 0 428.551 7.469 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000097953038 520053866 /nfs/dbraw/zinc/05/38/66/520053866.db2.gz FTYRNCAFQRHGCW-UHFFFAOYSA-N 0 0 429.568 5.473 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc21 ZINC000002349038 520054017 /nfs/dbraw/zinc/05/40/17/520054017.db2.gz XAZRMXZBDHGZMH-UHFFFAOYSA-N 0 0 443.551 5.059 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101285160 520059476 /nfs/dbraw/zinc/05/94/76/520059476.db2.gz HMLZKWOPDZSXTP-HSZRJFAPSA-N 0 0 448.523 5.747 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000059503807 520060183 /nfs/dbraw/zinc/06/01/83/520060183.db2.gz KOOQSRKTRUFHRG-HSZRJFAPSA-N 0 0 448.523 5.747 50 30 IKEARN CCCCCCCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000053319294 520067151 /nfs/dbraw/zinc/06/71/51/520067151.db2.gz LPMSBAODQYLMBV-UHFFFAOYSA-N 0 0 433.646 7.458 50 30 IKEARN CCCCCCCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 ZINC000002420845 520071388 /nfs/dbraw/zinc/07/13/88/520071388.db2.gz BANLSISJZGVLBP-UHFFFAOYSA-N 0 0 443.595 5.500 50 30 IKEARN CCCCCCCn1cc(OC(=O)CCC)c2c3nc4ccccc4n3c(CCC)nc21 ZINC000002350327 520072462 /nfs/dbraw/zinc/07/24/62/520072462.db2.gz SGKLOHKJBLFNFF-UHFFFAOYSA-N 0 0 434.584 6.466 50 30 IKEARN CC/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC ZINC000002185323 520207701 /nfs/dbraw/zinc/20/77/01/520207701.db2.gz JFBIQWUQAAUWBX-OOROLWMESA-N 0 0 428.863 5.931 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 ZINC000002296712 520228653 /nfs/dbraw/zinc/22/86/53/520228653.db2.gz GUZYPJMBECRBKG-QHCPKHFHSA-N 0 0 425.569 5.423 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001079485 520254625 /nfs/dbraw/zinc/25/46/25/520254625.db2.gz UOYPBBMXWYNOKZ-MRXNPFEDSA-N 0 0 426.419 5.037 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000001079568 520256163 /nfs/dbraw/zinc/25/61/63/520256163.db2.gz WVLPDWFBZYBTDB-QGZVFWFLSA-N 0 0 432.322 6.296 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000019721014 520258077 /nfs/dbraw/zinc/25/80/77/520258077.db2.gz DGVQUIVMQBNTKQ-FPOVZHCZSA-N 0 0 434.333 5.491 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc([N+](=O)[O-])cc4)nn3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000021658655 520259433 /nfs/dbraw/zinc/25/94/33/520259433.db2.gz OFBJWBOXZRGQKN-HSZRJFAPSA-N 0 0 448.910 5.770 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000008781194 520259818 /nfs/dbraw/zinc/25/98/18/520259818.db2.gz IRAFJWCEGJOZKT-HSZRJFAPSA-N 0 0 432.907 6.602 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Br)c1)OCO3 ZINC000012349572 520260023 /nfs/dbraw/zinc/26/00/23/520260023.db2.gz BKRIASRLTWHDJO-FQEVSTJZSA-N 0 0 426.310 5.378 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1ccco1 ZINC000021722218 520261610 /nfs/dbraw/zinc/26/16/10/520261610.db2.gz UVXGBJSEOUUXHN-HSZRJFAPSA-N 0 0 431.492 5.399 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@@H]2c1ccco1 ZINC000021722206 520262194 /nfs/dbraw/zinc/26/21/94/520262194.db2.gz AUEIMCPMWHAKJR-XMMPIXPASA-N 0 0 445.494 6.267 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccccc1 ZINC000021722107 520262211 /nfs/dbraw/zinc/26/22/11/520262211.db2.gz CTZAQFNJTNQTIO-DFBJGRDBSA-N 0 0 445.563 5.192 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1cccs1 ZINC000015826261 520262238 /nfs/dbraw/zinc/26/22/38/520262238.db2.gz WMYGIGQHVGXWGL-QHCPKHFHSA-N 0 0 447.560 5.867 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1ccco1 ZINC000021722220 520262249 /nfs/dbraw/zinc/26/22/49/520262249.db2.gz UVXGBJSEOUUXHN-QHCPKHFHSA-N 0 0 431.492 5.399 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1cccs1 ZINC000021356132 520262352 /nfs/dbraw/zinc/26/23/52/520262352.db2.gz TXLDGBORDSRBLL-DEOSSOPVSA-N 0 0 446.547 6.344 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccccc1Cl ZINC000009313318 520265313 /nfs/dbraw/zinc/26/53/13/520265313.db2.gz YLBHACCMDZAHFA-HHHXNRCGSA-N 0 0 442.990 7.157 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@@H]2c1ccccc1 ZINC000009281385 520265351 /nfs/dbraw/zinc/26/53/51/520265351.db2.gz LSFLZNUJDFQEQS-MUUNZHRXSA-N 0 0 448.570 6.380 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)c3cccs3)[C@@H]2c2ccccc2)C1 ZINC000009482808 520265531 /nfs/dbraw/zinc/26/55/31/520265531.db2.gz CJXHSLSYBRACAX-JOCHJYFZSA-N 0 0 429.545 5.600 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@@H]2c1ccco1 ZINC000021722795 520265974 /nfs/dbraw/zinc/26/59/74/520265974.db2.gz HGFWPISOQPDINR-XMMPIXPASA-N 0 0 448.544 5.285 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)OCc1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000000664336 520268299 /nfs/dbraw/zinc/26/82/99/520268299.db2.gz WSDGGKBASRLSBF-FQEVSTJZSA-N 0 0 437.923 5.011 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000002255636 520271106 /nfs/dbraw/zinc/27/11/06/520271106.db2.gz DWOIAUIMPXLSLC-SSEXGKCCSA-N 0 0 429.563 7.816 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850246 520274352 /nfs/dbraw/zinc/27/43/52/520274352.db2.gz HJFCDOZPRJQOBK-IBGZPJMESA-N 0 0 431.005 5.872 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850127 520274410 /nfs/dbraw/zinc/27/44/10/520274410.db2.gz JNIOXNAYSSONJO-IBGZPJMESA-N 0 0 431.005 5.872 50 30 IKEARN CC1(C)CC(=O)C=C(Nc2ccc(C34C[C@H]5C[C@H](CC(Br)(C5)C3)C4)cc2)C1 ZINC000100098702 520287811 /nfs/dbraw/zinc/28/78/11/520287811.db2.gz CVDCNTZSJSSRKK-APNWDRHGSA-N 0 0 428.414 7.006 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1 ZINC000036602819 520288103 /nfs/dbraw/zinc/28/81/03/520288103.db2.gz RREADCRJTXDABK-RUZDIDTESA-N 0 0 441.571 7.292 50 30 IKEARN CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)c(OCCC)c1 ZINC000012546855 520320284 /nfs/dbraw/zinc/32/02/84/520320284.db2.gz BSXCEIFYZAJMOI-JLHYYAGUSA-N 0 0 445.584 7.369 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1C ZINC000013122084 520331320 /nfs/dbraw/zinc/33/13/20/520331320.db2.gz WUFDHUTXBVGMFP-HSZRJFAPSA-N 0 0 446.478 5.101 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000016293760 520485719 /nfs/dbraw/zinc/48/57/19/520485719.db2.gz NYOLGTHMWYXCMV-BVZFJXPGSA-N 0 0 449.522 5.149 50 30 IKEARN CCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC ZINC000008444086 520486103 /nfs/dbraw/zinc/48/61/03/520486103.db2.gz UPIFDHKHXHBGTB-AREMUKBSSA-N 0 0 432.564 6.028 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 ZINC000020650017 520495626 /nfs/dbraw/zinc/49/56/26/520495626.db2.gz RWQVKVXQJZLEOR-HMAPJEAMSA-N 0 0 448.390 6.717 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccccc13)O2 ZINC000020648360 520496149 /nfs/dbraw/zinc/49/61/49/520496149.db2.gz WEINRUDCSGIPGT-YZSQISJMSA-N 0 0 446.591 6.385 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(=O)OC)cc1)O2 ZINC000020663572 520496833 /nfs/dbraw/zinc/49/68/33/520496833.db2.gz CWPAXVVMKCWARC-KQWNVCNZSA-N 0 0 437.536 5.197 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1 ZINC000019827930 520498409 /nfs/dbraw/zinc/49/84/09/520498409.db2.gz PKAPHACYLSPAAN-CYFREDJKSA-N 0 0 435.951 5.573 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000001184399 520499953 /nfs/dbraw/zinc/49/99/53/520499953.db2.gz BQEAGWNBPANOMQ-OPAMFIHVSA-N 0 0 439.602 5.395 50 30 IKEARN CC1(C)CS/C(=N\CCc2ccccc2)N1C(=O)c1cccnc1Sc1ccccc1 ZINC000013129633 520515722 /nfs/dbraw/zinc/51/57/22/520515722.db2.gz BAXCSXFKHRPQSV-PNHLSOANSA-N 0 0 447.629 5.799 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1OC ZINC000013286330 520556693 /nfs/dbraw/zinc/55/66/93/520556693.db2.gz SJRCFQVRCGPLPQ-BEIQUOEZSA-N 0 0 425.579 5.469 50 30 IKEARN CC1(C)C[C@H](n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 ZINC000002060633 520559033 /nfs/dbraw/zinc/55/90/33/520559033.db2.gz XHTPKSASFCGETM-LJQANCHMSA-N 0 0 449.620 5.414 50 30 IKEARN CC1(C)Cc2c(sc3nc(C4CCCCC4)n(/N=C/c4ccc(F)cc4)c(=O)c23)CO1 ZINC000002269561 520577123 /nfs/dbraw/zinc/57/71/23/520577123.db2.gz KBWNRIWEIUOYRP-LGJNPRDNSA-N 0 0 439.556 5.378 50 30 IKEARN CCOc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000012527441 520618664 /nfs/dbraw/zinc/61/86/64/520618664.db2.gz XDDFFJMOICQQRS-MHWRWJLKSA-N 0 0 444.531 5.065 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(Br)c1OCC ZINC000012464993 520631940 /nfs/dbraw/zinc/63/19/40/520631940.db2.gz CIMKPWCYDIVTHT-ATVHPVEESA-N 0 0 447.354 5.138 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000012605953 520633905 /nfs/dbraw/zinc/63/39/05/520633905.db2.gz ZQGOIHPVFKKDCR-JLPGSUDCSA-N 0 0 444.556 5.864 50 30 IKEARN CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(I)c1OC ZINC000000649687 520638181 /nfs/dbraw/zinc/63/81/81/520638181.db2.gz HERMCXVZVCSPNV-YBEGLDIGSA-N 0 0 438.286 5.028 50 30 IKEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000002123442 520691185 /nfs/dbraw/zinc/69/11/85/520691185.db2.gz FLYDMYKOYVKCLC-UHFFFAOYSA-N 0 0 436.866 5.919 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000001441112 520779730 /nfs/dbraw/zinc/77/97/30/520779730.db2.gz PEDBJMZWQJGIIB-MHZLTWQESA-N 0 0 427.500 5.837 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013492 520805638 /nfs/dbraw/zinc/80/56/38/520805638.db2.gz LMOMWKOSFYAEJB-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000010013487 520805682 /nfs/dbraw/zinc/80/56/82/520805682.db2.gz FJSMDQJXVWOXQR-NRFANRHFSA-N 0 0 428.866 5.225 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000001010250 520807499 /nfs/dbraw/zinc/80/74/99/520807499.db2.gz ONFNMQBVMJHACL-NRFANRHFSA-N 0 0 426.438 5.312 50 30 IKEARN CCOc1ccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 ZINC000025560179 520812942 /nfs/dbraw/zinc/81/29/42/520812942.db2.gz OZHKBXNNFKQDBH-CVKSISIWSA-N 0 0 443.528 6.110 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001183784 520814357 /nfs/dbraw/zinc/81/43/57/520814357.db2.gz ZTEHWVZATXHWEJ-IVZQSRNASA-N 0 0 441.980 5.715 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000861071 520818710 /nfs/dbraw/zinc/81/87/10/520818710.db2.gz YROSDODVBIPNCI-RXFWQSSRSA-N 0 0 445.534 5.673 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000666628 520819839 /nfs/dbraw/zinc/81/98/39/520819839.db2.gz IYGDBOCEZSZGLS-DEOSSOPVSA-N 0 0 436.596 5.233 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1 ZINC000001155930 520820793 /nfs/dbraw/zinc/82/07/93/520820793.db2.gz GAPWZHICPGVRHT-XMMPIXPASA-N 0 0 447.531 5.027 50 30 IKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002062029 520821344 /nfs/dbraw/zinc/82/13/44/520821344.db2.gz ZWJUESPZACRXLF-DEOSSOPVSA-N 0 0 449.522 5.052 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001456566 520822057 /nfs/dbraw/zinc/82/20/57/520822057.db2.gz NFVGQWMKSVJSOC-HXOBKFHXSA-N 0 0 437.561 5.015 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848680 520823145 /nfs/dbraw/zinc/82/31/45/520823145.db2.gz JXDCVZKEBIJJLD-DEOSSOPVSA-N 0 0 449.978 5.730 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 ZINC000000718181 520824664 /nfs/dbraw/zinc/82/46/64/520824664.db2.gz AEKKKQZGFKZCDI-JOCHJYFZSA-N 0 0 441.449 5.417 50 30 IKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)C1C(=O)c1ccccc1 ZINC000012416645 520828286 /nfs/dbraw/zinc/82/82/86/520828286.db2.gz MBAKNYDGHLYQIR-QFIPXVFZSA-N 0 0 434.326 6.515 50 30 IKEARN CCOc1ccc(-n2c(C)cc([C@@H]3c4c(C)[nH]nc4NC4=C3C(=O)CC(C)(C)C4)c2C)cc1 ZINC000012583543 520832492 /nfs/dbraw/zinc/83/24/92/520832492.db2.gz XHAYHRUOCUGOEQ-XMMPIXPASA-N 0 0 444.579 5.725 50 30 IKEARN CCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(OCC)c1 ZINC000014257478 520855210 /nfs/dbraw/zinc/85/52/10/520855210.db2.gz UJTBVSPSHANVKH-WSDLNYQXSA-N 0 0 446.370 5.816 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 ZINC000009030803 520857113 /nfs/dbraw/zinc/85/71/13/520857113.db2.gz XKFUFHLEJRHHES-CLCOLTQESA-N 0 0 441.527 6.829 50 30 IKEARN CCOc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000019865389 520861061 /nfs/dbraw/zinc/86/10/61/520861061.db2.gz XZNYWKZYTUABSV-KWPJTZOTSA-N 0 0 444.556 6.293 50 30 IKEARN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)cc1 ZINC000012589564 520893962 /nfs/dbraw/zinc/89/39/62/520893962.db2.gz OBMCIYAZZWVEQS-XMMPIXPASA-N 0 0 442.563 5.782 50 30 IKEARN CC1C/C(=C\c2ccccc2Br)C(=O)/C(=C\c2ccccc2Br)C1 ZINC000006172526 520899958 /nfs/dbraw/zinc/89/99/58/520899958.db2.gz DPCPTISPIMFHIU-BQWARBPISA-N 0 0 446.182 6.678 50 30 IKEARN CC1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 ZINC000004547106 520900957 /nfs/dbraw/zinc/90/09/57/520900957.db2.gz KQLODMNRFYNBPZ-IFQMDVHZSA-N 0 0 426.170 7.766 50 30 IKEARN CCOC(=O)Cc1ccc(/N=C/c2ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c2)cc1 ZINC000008855049 520904954 /nfs/dbraw/zinc/90/49/54/520904954.db2.gz IGZUHXJOCCNLEQ-CVKSISIWSA-N 0 0 439.556 5.569 50 30 IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006078500 520924160 /nfs/dbraw/zinc/92/41/60/520924160.db2.gz LWLJPUIMQDIKSN-VWLOTQADSA-N 0 0 449.639 5.149 50 30 IKEARN CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000036611888 520977933 /nfs/dbraw/zinc/97/79/33/520977933.db2.gz PTJXCVUKMLEYAD-DHRITJCHSA-N 0 0 446.523 5.651 50 30 IKEARN CCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850769 520978869 /nfs/dbraw/zinc/97/88/69/520978869.db2.gz KLJWGWQOMKMPBK-HXUWFJFHSA-N 0 0 426.586 5.227 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997078 520980237 /nfs/dbraw/zinc/98/02/37/520980237.db2.gz NKUZGTZAGUXRPV-HSZRJFAPSA-N 0 0 445.548 5.137 50 30 IKEARN CCOc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000059387332 521029074 /nfs/dbraw/zinc/02/90/74/521029074.db2.gz YEDFBWZARQFJNL-UHFFFAOYSA-N 0 0 445.485 5.015 50 30 IKEARN CCOC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(Cl)cc1Cl ZINC000012859055 521066523 /nfs/dbraw/zinc/06/65/23/521066523.db2.gz MDFJEMXDADDZCP-IZHXIWSZSA-N 0 0 440.298 5.016 50 30 IKEARN CCOc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 ZINC000021722328 521092300 /nfs/dbraw/zinc/09/23/00/521092300.db2.gz MPPAOJDPMZISDT-RUZDIDTESA-N 0 0 443.503 5.891 50 30 IKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000013617276 521118459 /nfs/dbraw/zinc/11/84/59/521118459.db2.gz LEHKLFXCYIZPJE-AKBOQNEDSA-N 0 0 443.616 6.481 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000051366985 521118867 /nfs/dbraw/zinc/11/88/67/521118867.db2.gz WLVVQLIZCFBEMH-MLKPGFSBSA-N 0 0 445.588 5.873 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012648741 521168162 /nfs/dbraw/zinc/16/81/62/521168162.db2.gz YLNFDTSZCDVHIG-WGDIFIGCSA-N 0 0 446.934 6.244 50 30 IKEARN CCOc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 ZINC000012895315 521175970 /nfs/dbraw/zinc/17/59/70/521175970.db2.gz HLFHVHZAOITRGI-UHFFFAOYSA-N 0 0 432.545 5.058 50 30 IKEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)cc1 ZINC000009731846 521242164 /nfs/dbraw/zinc/24/21/64/521242164.db2.gz NJAVUQHUCUXTIU-JOCHJYFZSA-N 0 0 448.954 5.655 50 30 IKEARN CCOc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012346920 521248570 /nfs/dbraw/zinc/24/85/70/521248570.db2.gz WQOFDWNGZPMCLV-NRFANRHFSA-N 0 0 429.520 5.177 50 30 IKEARN CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O ZINC000015016291 521296482 /nfs/dbraw/zinc/29/64/82/521296482.db2.gz VNVBIXCRPPKJLE-MOSHPQCFSA-N 0 0 442.462 6.149 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1 ZINC000027527946 521367167 /nfs/dbraw/zinc/36/71/67/521367167.db2.gz XGARXZOHWZUNPN-CRIWNOGGSA-N 0 0 428.605 6.832 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)c(Cl)c1 ZINC000013286477 521513600 /nfs/dbraw/zinc/51/36/00/521513600.db2.gz IRZMPEFICQNLLK-QUOYTPRUSA-N 0 0 445.997 5.651 50 30 IKEARN CCOc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000096179145 521532459 /nfs/dbraw/zinc/53/24/59/521532459.db2.gz LIPNXQLBCIZNOH-PSCYQSDVSA-N 0 0 445.544 5.250 50 30 IKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000008779957 521579596 /nfs/dbraw/zinc/57/95/96/521579596.db2.gz JKHGYJATRXVMIK-RUZDIDTESA-N 0 0 444.575 5.636 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012563298 521617162 /nfs/dbraw/zinc/61/71/62/521617162.db2.gz OSEUYHUNOPAQFS-GOSISDBHSA-N 0 0 429.969 6.087 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000012579504 521617726 /nfs/dbraw/zinc/61/77/26/521617726.db2.gz ORLCPCJHIRPNPH-QGZVFWFLSA-N 0 0 435.467 5.817 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1ccc(CC#N)cc1 ZINC000026056500 521636464 /nfs/dbraw/zinc/63/64/64/521636464.db2.gz FSSVUWCYRIDCIO-UHFFFAOYSA-N 0 0 432.471 5.262 50 30 IKEARN CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2cccc(C)c2)c2c(C)oc(C)c21 ZINC000009065361 521638319 /nfs/dbraw/zinc/63/83/19/521638319.db2.gz VHTYZDDJVHKENV-VXPUYCOJSA-N 0 0 429.516 6.015 50 30 IKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccc(OC)cc13)O2 ZINC000020647119 521649366 /nfs/dbraw/zinc/64/93/66/521649366.db2.gz YQNUFVWNSQQJSQ-AFUMVMLFSA-N 0 0 448.563 5.614 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2ccc(Cl)cc2C)c(C)n1 ZINC000032973118 521650959 /nfs/dbraw/zinc/65/09/59/521650959.db2.gz CLMVHELQGKWBLF-UHFFFAOYSA-N 0 0 441.938 5.101 50 30 IKEARN CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N[C@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000065304871 521677936 /nfs/dbraw/zinc/67/79/36/521677936.db2.gz PYTBGZISYBCEOL-DKERFCRFSA-N 0 0 441.616 5.164 50 30 IKEARN CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000021356382 521711791 /nfs/dbraw/zinc/71/17/91/521711791.db2.gz ZOPMHFYKLCHVJZ-QHCPKHFHSA-N 0 0 437.540 5.032 50 30 IKEARN CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000021722869 521711874 /nfs/dbraw/zinc/71/18/74/521711874.db2.gz SLRMXMXCJNOQNQ-VWLOTQADSA-N 0 0 447.579 5.439 50 30 IKEARN CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000036611413 521791615 /nfs/dbraw/zinc/79/16/15/521791615.db2.gz WXKCDJIXOMLWJQ-NUGSKGIGSA-N 0 0 444.866 5.425 50 30 IKEARN CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 ZINC000036611487 521792823 /nfs/dbraw/zinc/79/28/23/521792823.db2.gz HIOQHIZYNSATGO-WSDLNYQXSA-N 0 0 428.901 5.358 50 30 IKEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000036611394 521793844 /nfs/dbraw/zinc/79/38/44/521793844.db2.gz FCZQLMAWZAAJLL-ODCIPOBUSA-N 0 0 445.759 5.713 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 ZINC000008438053 521805164 /nfs/dbraw/zinc/80/51/64/521805164.db2.gz SMEIBFKIOWIDLV-HUOZHCEOSA-N 0 0 434.561 5.914 50 30 IKEARN COc1c(Cl)cc(Cl)cc1/C=N/c1cnn(C)c1C(=O)Nc1cccc(Cl)c1 ZINC000000850516 521837131 /nfs/dbraw/zinc/83/71/31/521837131.db2.gz NRBUWVZAMOLDMD-NUGSKGIGSA-N 0 0 437.714 5.392 50 30 IKEARN CCc1ccccc1NC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021722682 521872067 /nfs/dbraw/zinc/87/20/67/521872067.db2.gz ZSVXZNDQMRWIIZ-HHHXNRCGSA-N 0 0 441.531 5.461 50 30 IKEARN COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Cl)c1OC ZINC000013076283 521921285 /nfs/dbraw/zinc/92/12/85/521921285.db2.gz GANPHQJZEVJECL-ATVHPVEESA-N 0 0 435.932 6.390 50 30 IKEARN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000002941315 521958191 /nfs/dbraw/zinc/95/81/91/521958191.db2.gz OERFJZDXUYBERT-HYARGMPZSA-N 0 0 438.526 5.101 50 30 IKEARN COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000013063447 521965215 /nfs/dbraw/zinc/96/52/15/521965215.db2.gz GBUSOKAPJFIHFR-XMHGGMMESA-N 0 0 447.918 5.579 50 30 IKEARN COc1cc(C=Nc2ccc(C(C)=O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103748326 521998911 /nfs/dbraw/zinc/99/89/11/521998911.db2.gz ZVVHEEOKUZGKEE-YDZHTSKRSA-N 0 0 435.392 5.257 50 30 IKEARN COc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000072334093 522012472 /nfs/dbraw/zinc/01/24/72/522012472.db2.gz SAQSPBPPASJDJO-DHRITJCHSA-N 0 0 449.850 6.006 50 30 IKEARN CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3n2C(F)(F)F)cc1 ZINC000013068616 522129233 /nfs/dbraw/zinc/12/92/33/522129233.db2.gz MKUVIFUUCSVVCN-SILNSSARSA-N 0 0 435.449 6.002 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1Br ZINC000068732082 522249511 /nfs/dbraw/zinc/24/95/11/522249511.db2.gz KZFXJLHNDOQRRG-RUZDIDTESA-N 0 0 447.376 6.342 50 30 IKEARN COC(=O)c1ccccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)o1 ZINC000018136972 522252714 /nfs/dbraw/zinc/25/27/14/522252714.db2.gz YFUKDNFDIIYZKM-XDHOZWIPSA-N 0 0 438.892 5.278 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000000804420 522307711 /nfs/dbraw/zinc/30/77/11/522307711.db2.gz FOSTUEWWNKDYCU-UHFFFAOYSA-N 0 0 437.580 5.456 50 30 IKEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000009260618 522310453 /nfs/dbraw/zinc/31/04/53/522310453.db2.gz AHAXEKYNBCOJMM-UHFFFAOYSA-N 0 0 439.294 6.044 50 30 IKEARN COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccc(Cl)cc1Cl ZINC000012950868 522400067 /nfs/dbraw/zinc/40/00/67/522400067.db2.gz DXLGNPSSIAYASH-AUEPDCJTSA-N 0 0 438.698 5.170 50 30 IKEARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000012545433 522514768 /nfs/dbraw/zinc/51/47/68/522514768.db2.gz PLPHQZUDGGMOMQ-LLVKDONJSA-N 0 0 443.878 5.370 50 30 IKEARN COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O ZINC000022612082 522534312 /nfs/dbraw/zinc/53/43/12/522534312.db2.gz KNHCKVQFMMQSOT-RPPGKUMJSA-N 0 0 437.952 5.296 50 30 IKEARN CN(CCC#N)C(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000012539910 522668748 /nfs/dbraw/zinc/66/87/48/522668748.db2.gz NOJQKLWNCHJVED-UHFFFAOYSA-N 0 0 449.510 5.098 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(C)cc2)c1 ZINC000035847755 522838281 /nfs/dbraw/zinc/83/82/81/522838281.db2.gz FPAAZXSPOXRDRS-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000627439 522877181 /nfs/dbraw/zinc/87/71/81/522877181.db2.gz DCHYFSAAGOEXQS-DEOSSOPVSA-N 0 0 431.532 5.043 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(F)cc1 ZINC000001434667 522882862 /nfs/dbraw/zinc/88/28/62/522882862.db2.gz QGBBCDVTQWDVTP-IVZQSRNASA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000000654035 522884415 /nfs/dbraw/zinc/88/44/15/522884415.db2.gz SMAQQHDNAMPQGO-OAQYLSRUSA-N 0 0 429.497 5.172 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000797780 522885346 /nfs/dbraw/zinc/88/53/46/522885346.db2.gz ORJGVVCQYURSQT-OAQYLSRUSA-N 0 0 431.875 5.341 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000797781 522888096 /nfs/dbraw/zinc/88/80/96/522888096.db2.gz ORJGVVCQYURSQT-NRFANRHFSA-N 0 0 431.875 5.341 50 30 IKEARN COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)n(C)c3cc(C)ccc31)=C2 ZINC000062001459 523023597 /nfs/dbraw/zinc/02/35/97/523023597.db2.gz WHICLONRJAYFHR-UHFFFAOYSA-N 0 0 432.564 5.303 50 30 biogenic IKEARN COc1cc2c(cc1OC)[C@@H](CC#N)N(C(=O)c1sc3cc(F)ccc3c1Cl)CC2 ZINC000023450809 523037972 /nfs/dbraw/zinc/03/79/72/523037972.db2.gz IZCHXABDGJZTPY-MRXNPFEDSA-N 0 0 444.915 5.364 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348494 523115174 /nfs/dbraw/zinc/11/51/74/523115174.db2.gz GCRIWPLHBVKSPY-VLSSOZHTSA-N 0 0 444.612 5.265 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cc(OC)ccc2OC)cc1 ZINC000013148371 523239935 /nfs/dbraw/zinc/23/99/35/523239935.db2.gz NVQIHOXUVYTHOU-RVDMUPIBSA-N 0 0 440.499 5.461 50 30 IKEARN CCn1c2ccccc2c2cc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4[nH]3)ccc21 ZINC000012559563 523275520 /nfs/dbraw/zinc/27/55/20/523275520.db2.gz MVRBBBXASCMHMB-CLCOLTQESA-N 0 0 441.534 7.114 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21 ZINC000020649756 523305559 /nfs/dbraw/zinc/30/55/59/523305559.db2.gz MMZUPYWJHZJXHG-GDQCRLHRSA-N 0 0 446.547 5.366 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c2ccccc21 ZINC000009423620 523306234 /nfs/dbraw/zinc/30/62/34/523306234.db2.gz XHXLKYJBFVAGKL-MFKUBSTISA-N 0 0 437.495 6.113 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182596 523308251 /nfs/dbraw/zinc/30/82/51/523308251.db2.gz GQWIGWHKQSVVMS-KSEXSDGBSA-N 0 0 449.503 5.007 50 30 IKEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000009271945 523400033 /nfs/dbraw/zinc/40/00/33/523400033.db2.gz KMLLDMKCWPJFHI-VZUCSPMQSA-N 0 0 447.443 5.036 50 30 IKEARN COc1ccc(/C=C/C(=O)c2cccc(-n3cccc3)c2)cc1COc1cccc(Cl)c1 ZINC000036611183 523403102 /nfs/dbraw/zinc/40/31/02/523403102.db2.gz ABLQFSIARXYYQS-ZRDIBKRKSA-N 0 0 443.930 6.614 50 30 IKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000012437351 523419495 /nfs/dbraw/zinc/41/94/95/523419495.db2.gz SRHPYMJSPOOPMI-RCCKNPSSSA-N 0 0 427.500 5.445 50 30 IKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1 ZINC000001762133 523419981 /nfs/dbraw/zinc/41/99/81/523419981.db2.gz ICKQDWXVBXZGBR-XMHGGMMESA-N 0 0 443.593 6.810 50 30 IKEARN CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000013597214 523420789 /nfs/dbraw/zinc/42/07/89/523420789.db2.gz SGZYKMMJIROBTI-WWFKBGPPSA-N 0 0 437.568 6.237 50 30 IKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)c(OC)c1 ZINC000012419930 523445437 /nfs/dbraw/zinc/44/54/37/523445437.db2.gz QOSLWYWLLHQDSV-YSURURNPSA-N 0 0 425.407 5.431 50 30 IKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009041174 523566460 /nfs/dbraw/zinc/56/64/60/523566460.db2.gz DYQWWXXDCPZJAQ-HSZRJFAPSA-N 0 0 431.488 5.190 50 30 IKEARN CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000013617239 523606284 /nfs/dbraw/zinc/60/62/84/523606284.db2.gz HUHMPQIMRFPRLA-BQHJCBTJSA-N 0 0 447.560 5.101 50 30 IKEARN CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000009380052 523607474 /nfs/dbraw/zinc/60/74/74/523607474.db2.gz SGZYKMMJIROBTI-IOYLVGNBSA-N 0 0 437.568 6.237 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccccc2)Nc2ccc(C(C)C)cc2)c1C ZINC000032973289 523635439 /nfs/dbraw/zinc/63/54/39/523635439.db2.gz UWFGOXYFXNWPBB-UHFFFAOYSA-N 0 0 431.584 5.084 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c1C ZINC000032972211 523639466 /nfs/dbraw/zinc/63/94/66/523639466.db2.gz NWLNLZVRIALOKM-UHFFFAOYSA-N 0 0 431.584 5.350 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl ZINC000013482298 523664910 /nfs/dbraw/zinc/66/49/10/523664910.db2.gz SRSOJXJDJDRYLG-PJFOTGOESA-N 0 0 431.319 5.224 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000012466096 523665383 /nfs/dbraw/zinc/66/53/83/523665383.db2.gz JNAAZPVXVYVNER-CKBSFLJSSA-N 0 0 431.319 5.224 50 30 IKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@H]2c2ccco2)cc1 ZINC000009332487 523678134 /nfs/dbraw/zinc/67/81/34/523678134.db2.gz PMKHIXTVTHTQKW-IVCQMTBJSA-N 0 0 428.488 5.355 50 30 IKEARN CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc(F)c2)C2=C1CCCC2=O ZINC000001461726 523739253 /nfs/dbraw/zinc/73/92/53/523739253.db2.gz ANDLIIJVOZICIW-UHFFFAOYSA-N 0 0 431.507 5.448 50 30 IKEARN CCc1ccc(/N=C2/S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 ZINC000012467282 523874733 /nfs/dbraw/zinc/87/47/33/523874733.db2.gz AINQTJXLCMPTIW-RWBSCQHUSA-N 0 0 428.557 6.062 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002082237 523876366 /nfs/dbraw/zinc/87/63/66/523876366.db2.gz OMVXEYJMJIXGKS-JTUXUYRKSA-N 0 0 432.614 6.990 50 30 IKEARN CCc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 ZINC000021355744 523972788 /nfs/dbraw/zinc/97/27/88/523972788.db2.gz XFARLUOGFIBODQ-MHZLTWQESA-N 0 0 441.531 5.461 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000035982121 524006502 /nfs/dbraw/zinc/00/65/02/524006502.db2.gz QHSIPLRFUZZWRP-CQSIOLINSA-N 0 0 431.532 5.096 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000035817501 524006826 /nfs/dbraw/zinc/00/68/26/524006826.db2.gz JESQQNXVXJKARR-CQSIOLINSA-N 0 0 433.523 5.529 50 30 IKEARN CN(C)C(=O)Oc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001004226 524008223 /nfs/dbraw/zinc/00/82/23/524008223.db2.gz KKWOYVBXBGCBGL-UHFFFAOYSA-N 0 0 437.536 5.147 50 30 IKEARN CCc1ccc(OCc2nnc(Sc3ncccc3C#N)n2[C@@H](C)c2ccccc2)cc1 ZINC000012749584 524008374 /nfs/dbraw/zinc/00/83/74/524008374.db2.gz ZLBDBWDRDPLGIC-SFHVURJKSA-N 0 0 441.560 5.447 50 30 IKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000008435196 524032037 /nfs/dbraw/zinc/03/20/37/524032037.db2.gz LEGFWWCGZGFWME-CCSRSWJSSA-N 0 0 449.988 6.519 50 30 IKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000012562411 524034256 /nfs/dbraw/zinc/03/42/56/524034256.db2.gz CSUGHDSBSCHVAU-UNOMPAQXSA-N 0 0 443.494 5.621 50 30 IKEARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000064874159 524052597 /nfs/dbraw/zinc/05/25/97/524052597.db2.gz DTDXSJZCBRQEGY-QHCPKHFHSA-N 0 0 446.938 5.373 50 30 IKEARN CCc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000064873996 524052616 /nfs/dbraw/zinc/05/26/16/524052616.db2.gz UWEGGUDNYVHHRN-DEOSSOPVSA-N 0 0 440.547 5.356 50 30 IKEARN CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984409 524071368 /nfs/dbraw/zinc/07/13/68/524071368.db2.gz GPBLXYXBFOJHNS-UHFFFAOYSA-N 0 0 435.520 5.655 50 30 IKEARN CNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000021722388 524077094 /nfs/dbraw/zinc/07/70/94/524077094.db2.gz UPRZMAGQQCKCLP-CRICUBBOSA-N 0 0 443.503 5.002 50 30 IKEARN CNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000021722386 524077115 /nfs/dbraw/zinc/07/71/15/524077115.db2.gz UPRZMAGQQCKCLP-NSYGIPOTSA-N 0 0 443.503 5.002 50 30 IKEARN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nc2c1 ZINC000002166306 524086352 /nfs/dbraw/zinc/08/63/52/524086352.db2.gz ZUXCKQDXJCPZCG-CCVNUDIWSA-N 0 0 447.321 8.121 50 30 IKEARN COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000008857108 524109236 /nfs/dbraw/zinc/10/92/36/524109236.db2.gz CTIPLYGVRCKMJB-SXWXDVRUSA-N 0 0 431.488 5.157 50 30 IKEARN COc1ccc(CO/N=C(/C)c2cc(-c3ccccc3)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000035843373 524110454 /nfs/dbraw/zinc/11/04/54/524110454.db2.gz BRZJRBPXCAOGQS-CEUNXORHSA-N 0 0 444.962 7.056 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2C)cc1 ZINC000008439399 524110677 /nfs/dbraw/zinc/11/06/77/524110677.db2.gz OBYCXPGPWMCKQI-RUZDIDTESA-N 0 0 445.559 5.351 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1O ZINC000013568530 524130804 /nfs/dbraw/zinc/13/08/04/524130804.db2.gz LXXCBZMSVOQMKD-MQNRADLISA-N 0 0 446.934 6.034 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1O ZINC000013568532 524130858 /nfs/dbraw/zinc/13/08/58/524130858.db2.gz LXXCBZMSVOQMKD-BZQUYTCOSA-N 0 0 446.934 6.034 50 30 IKEARN Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013284017 524144223 /nfs/dbraw/zinc/14/42/23/524144223.db2.gz YUAKGFDGJYFRRK-UHFFFAOYSA-N 0 0 425.863 6.233 50 30 IKEARN Cc1cccc(/C=C\C(=O)c2c(=O)n(C(C)C)c3ccccc3c2-c2ccc(Cl)cc2)c1 ZINC000222335425 524152769 /nfs/dbraw/zinc/15/27/69/524152769.db2.gz PSBSCCSRGOWPKJ-WJDWOHSUSA-N 0 0 441.958 7.107 50 30 IKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000001434743 524172816 /nfs/dbraw/zinc/17/28/16/524172816.db2.gz CAMUSSBJXLSYGW-WXTAPIANSA-N 0 0 441.487 5.583 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000000709515 524186649 /nfs/dbraw/zinc/18/66/49/524186649.db2.gz OJVSDPMGDOHGSH-WXTAPIANSA-N 0 0 426.516 5.683 50 30 IKEARN Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 ZINC000021356346 524190118 /nfs/dbraw/zinc/19/01/18/524190118.db2.gz BVYIGKSZOMPRNC-RUZDIDTESA-N 0 0 448.544 5.266 50 30 IKEARN Cc1ccc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 ZINC000008384604 524212417 /nfs/dbraw/zinc/21/24/17/524212417.db2.gz OQZASONRRBHPCD-GMQQYTKMSA-N 0 0 429.523 5.588 50 30 IKEARN Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1c(Cl)n(C)nc1C(F)(F)F ZINC000020615360 524228676 /nfs/dbraw/zinc/22/86/76/524228676.db2.gz PCABFJHFGNOOSK-KVSWJAHQSA-N 0 0 435.921 6.619 50 30 IKEARN Cc1ccc(C=NN=C2c3ccccc3C(=O)C2C(=O)C(c2ccccc2)c2ccccc2)o1 ZINC000252679493 524242765 /nfs/dbraw/zinc/24/27/65/524242765.db2.gz NIUOLHPWJOKCPA-QYWGPUAJSA-N 0 0 446.506 6.252 50 30 IKEARN COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/OC(C)=O)oc21 ZINC000067350844 524255115 /nfs/dbraw/zinc/25/51/15/524255115.db2.gz GPEMBOVLYMUNRS-GFMRDNFCSA-N 0 0 426.881 5.264 50 30 IKEARN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1 ZINC000002181380 524282733 /nfs/dbraw/zinc/28/27/33/524282733.db2.gz MACBUBYXLZAEDI-LGJNPRDNSA-N 0 0 449.576 6.534 50 30 IKEARN COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009127077 524292317 /nfs/dbraw/zinc/29/23/17/524292317.db2.gz PBRUGJDPXMVVSU-FQEVSTJZSA-N 0 0 446.963 5.823 50 30 IKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21 ZINC000020683596 524299502 /nfs/dbraw/zinc/29/95/02/524299502.db2.gz KHZHNLYHGABBRR-XBJXUOPSSA-N 0 0 446.576 5.050 50 30 IKEARN COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C)C#N ZINC000009209122 524299686 /nfs/dbraw/zinc/29/96/86/524299686.db2.gz BLQNXUMHAQWJRA-GOSISDBHSA-N 0 0 442.544 5.526 50 30 IKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C[C@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 ZINC000020683612 524299803 /nfs/dbraw/zinc/29/98/03/524299803.db2.gz KHZHNLYHGABBRR-NVVXQYLJSA-N 0 0 446.576 5.050 50 30 IKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O ZINC000002411656 524317652 /nfs/dbraw/zinc/31/76/52/524317652.db2.gz QBXJVZOFNGZRQZ-MBUAGSHXSA-N 0 0 436.866 6.239 50 30 IKEARN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000328596700 524325707 /nfs/dbraw/zinc/32/57/07/524325707.db2.gz QKPPTHHBOPUPFY-ZDUSSCGKSA-N 0 0 426.423 5.151 50 30 IKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000025559054 524326818 /nfs/dbraw/zinc/32/68/18/524326818.db2.gz YHTJQMJJLBOWDZ-MZJWZYIUSA-N 0 0 447.478 6.149 50 30 IKEARN COc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1OC ZINC000001235766 524328001 /nfs/dbraw/zinc/32/80/01/524328001.db2.gz KPNMKLBBPBUSOP-YWROOUKNSA-N 0 0 432.501 5.218 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)c1 ZINC000020132693 524409664 /nfs/dbraw/zinc/40/96/64/524409664.db2.gz AVHJOCWMEUDNDD-HMAPJEAMSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1 ZINC000021722336 524427856 /nfs/dbraw/zinc/42/78/56/524427856.db2.gz TVHYJLMBXAXXSD-RUZDIDTESA-N 0 0 443.572 6.577 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000020558776 524486340 /nfs/dbraw/zinc/48/63/40/524486340.db2.gz LYIWTAALJKVTCE-HYARGMPZSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)cc1 ZINC000020575671 524486725 /nfs/dbraw/zinc/48/67/25/524486725.db2.gz DMUHXMDTHMGMTA-UNOMPAQXSA-N 0 0 444.965 5.196 50 30 IKEARN COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843466 524492275 /nfs/dbraw/zinc/49/22/75/524492275.db2.gz KSAVSOGBECVXDD-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN Cc1cccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 ZINC000020575726 524529286 /nfs/dbraw/zinc/52/92/86/524529286.db2.gz LHZZYHSNRRJNJX-UNOMPAQXSA-N 0 0 444.965 5.196 50 30 IKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(F)cc2)c1 ZINC000013286051 524532269 /nfs/dbraw/zinc/53/22/69/524532269.db2.gz XGHFKLYZRCEBSE-NPGCFZLRSA-N 0 0 447.560 6.313 50 30 IKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2C)c1 ZINC000013286048 524532330 /nfs/dbraw/zinc/53/23/30/524532330.db2.gz UTIRDWYKPIHXFQ-SLJQUXCSSA-N 0 0 443.597 6.482 50 30 IKEARN COc1ccc(NC(=O)ONC(=N)c2ccc(Oc3c(Cl)cncc3Cl)cc2)cc1 ZINC000012369963 524580960 /nfs/dbraw/zinc/58/09/60/524580960.db2.gz VZQLOEJGSDZCBV-UHFFFAOYSA-N 0 0 447.278 5.058 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cccs2)n1 ZINC000001051195 524582054 /nfs/dbraw/zinc/58/20/54/524582054.db2.gz IYRMYBMNAPPNAO-UPCLLVRISA-N 0 0 445.544 5.045 50 30 IKEARN Cc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1C ZINC000021722317 524628818 /nfs/dbraw/zinc/62/88/18/524628818.db2.gz FXWOBPGWIFFPJH-RUZDIDTESA-N 0 0 427.504 6.109 50 30 IKEARN COc1ccc(NC(=S)N/N=C2\CC3(CCCCC3)Oc3ccc(O)cc32)cc1Cl ZINC000020682677 524665938 /nfs/dbraw/zinc/66/59/38/524665938.db2.gz LNDRBEJEUWDKGB-XIEYBQDHSA-N 0 0 445.972 5.230 50 30 IKEARN Cc1ccc(Cl)cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)o1 ZINC000013548723 524719637 /nfs/dbraw/zinc/71/96/37/524719637.db2.gz BFHPEEGDNAPDDT-YBFXNURJSA-N 0 0 429.328 6.453 50 30 IKEARN COc1ccccc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CCC2 ZINC000001430774 524748693 /nfs/dbraw/zinc/74/86/93/524748693.db2.gz OVFUNMHMPDLFNT-KRWDZBQOSA-N 0 0 432.545 5.035 50 30 IKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000000861342 524761904 /nfs/dbraw/zinc/76/19/04/524761904.db2.gz FAGKBBGHAXKAHP-QUGAMOGWSA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc(OC)c(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1 ZINC000012572556 524800259 /nfs/dbraw/zinc/80/02/59/524800259.db2.gz UFYBMNAMROTYCB-XYOKQWHBSA-N 0 0 445.902 5.762 50 30 IKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cccs1 ZINC000000781599 524805476 /nfs/dbraw/zinc/80/54/76/524805476.db2.gz CPBIHIHWHZSILW-GYCJOSAFSA-N 0 0 437.561 5.070 50 30 IKEARN Cc1cccc(S/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000000715316 524810136 /nfs/dbraw/zinc/81/01/36/524810136.db2.gz BOFUPXFEXBFWCH-LSDHQDQOSA-N 0 0 446.391 5.685 50 30 IKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000000861343 524819129 /nfs/dbraw/zinc/81/91/29/524819129.db2.gz FAGKBBGHAXKAHP-WGDIFIGCSA-N 0 0 430.935 6.328 50 30 IKEARN Cc1cc(Cl)ccc1/N=C/N(C)SN(C(C)C)S(=O)(=O)Cc1ccccc1 ZINC000039425545 524878302 /nfs/dbraw/zinc/87/83/02/524878302.db2.gz ZCWUACZQDIUOPI-KGENOOAVSA-N 0 0 426.007 5.044 50 30 IKEARN Cc1cccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000001429562 524886815 /nfs/dbraw/zinc/88/68/15/524886815.db2.gz QTVPNSUSRZFCHD-LJQANCHMSA-N 0 0 444.600 5.971 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1 ZINC000013568519 524912302 /nfs/dbraw/zinc/91/23/02/524912302.db2.gz SYCGTWZEFYLLFC-LAUBAEHRSA-N 0 0 433.548 5.006 50 30 IKEARN COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000078549521 524978243 /nfs/dbraw/zinc/97/82/43/524978243.db2.gz FEEPHGRPKJSATG-INIZCTEOSA-N 0 0 443.334 5.051 50 30 IKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 ZINC000015979816 524992654 /nfs/dbraw/zinc/99/26/54/524992654.db2.gz QCEZYIGCIVTCMK-WTDSWWLTSA-N 0 0 444.270 6.599 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(Cl)c2)nc1 ZINC000018206099 525021214 /nfs/dbraw/zinc/02/12/14/525021214.db2.gz CYCYNJMNVMKCRD-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C ZINC000021722288 525148785 /nfs/dbraw/zinc/14/87/85/525148785.db2.gz FCKGNHMEIJGGMQ-VWLOTQADSA-N 0 0 427.504 6.109 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000019762478 525218797 /nfs/dbraw/zinc/21/87/97/525218797.db2.gz ZWMDYDWSLZDAAN-CJFMBICVSA-N 0 0 431.532 5.008 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1 ZINC000000812876 525230027 /nfs/dbraw/zinc/23/00/27/525230027.db2.gz NKZJACGFXGJYRH-MYUZEXMDSA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC ZINC000000709670 525231317 /nfs/dbraw/zinc/23/13/17/525231317.db2.gz BMGCNEXJQXCUPY-HFJWLAOPSA-N 0 0 427.504 5.078 50 30 IKEARN Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1C(F)(F)F ZINC000012785429 525252953 /nfs/dbraw/zinc/25/29/53/525252953.db2.gz XORKWXRUEGMXBP-UHFFFAOYSA-N 0 0 431.311 5.610 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2cccc(Cl)c2)cc1 ZINC000064874116 525254775 /nfs/dbraw/zinc/25/47/75/525254775.db2.gz CSJKXBYZKGQKTB-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(F)cc2)cc1 ZINC000064873970 525255854 /nfs/dbraw/zinc/25/58/54/525255854.db2.gz ICOLSOBTVNBSDX-HSZRJFAPSA-N 0 0 444.510 5.241 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(F)c(F)c2)cc1C ZINC000064775613 525256119 /nfs/dbraw/zinc/25/61/19/525256119.db2.gz ABERDVLOSHBRIR-QHCPKHFHSA-N 0 0 448.473 5.052 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2cccc(Cl)c2)cc1 ZINC000064874114 525256321 /nfs/dbraw/zinc/25/63/21/525256321.db2.gz CSJKXBYZKGQKTB-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1cccc(Cl)c1 ZINC000064874261 525264329 /nfs/dbraw/zinc/26/43/29/525264329.db2.gz MELTVQQZSJJIPE-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccc(NC(=S)C2=C(NCCc3c[nH]c4ccccc34)CC(C)(C)CC2=O)cc1C ZINC000019727921 525265090 /nfs/dbraw/zinc/26/50/90/525265090.db2.gz DEQZFNCOOQPLOZ-UHFFFAOYSA-N 0 0 445.632 6.000 50 30 IKEARN Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@H](c3ccccc3)N(c3ccccn3)C2=O)cc1 ZINC000008407920 525266952 /nfs/dbraw/zinc/26/69/52/525266952.db2.gz HPJZGHZBCROJNA-MHZLTWQESA-N 0 0 445.522 5.727 50 30 IKEARN COc1ccc([C@@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849716 525278715 /nfs/dbraw/zinc/27/87/15/525278715.db2.gz JDILMGGGTVZLCL-FQEVSTJZSA-N 0 0 444.491 5.194 50 30 IKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)c1ccccc1 ZINC000012876932 525350601 /nfs/dbraw/zinc/35/06/01/525350601.db2.gz RSZHYTMCURJIHZ-FTIQDDARSA-N 0 0 434.576 5.561 50 30 biogenic IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000252430701 525351769 /nfs/dbraw/zinc/35/17/69/525351769.db2.gz GAKVNINHIOJQFK-YPNDZAIESA-N 0 0 442.477 6.410 50 30 IKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 ZINC000018180931 525392794 /nfs/dbraw/zinc/39/27/94/525392794.db2.gz BNIZRPPVKJKMQP-VWLOTQADSA-N 0 0 448.563 5.503 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000009559907 525395893 /nfs/dbraw/zinc/39/58/93/525395893.db2.gz GIPWOQUJELTBGT-CZUORRHYSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1OC ZINC000000709641 525398176 /nfs/dbraw/zinc/39/81/76/525398176.db2.gz MTEXHNHGKQLPMQ-DNOBIOAJSA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000883252 525398288 /nfs/dbraw/zinc/39/82/88/525398288.db2.gz NOHJYOJEXDRYDO-DNOBIOAJSA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1 ZINC000102580660 525405122 /nfs/dbraw/zinc/40/51/22/525405122.db2.gz ALQJVCLZXJUQKW-FQRUVTKNSA-N 0 0 447.534 6.539 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O ZINC000013568555 525429841 /nfs/dbraw/zinc/42/98/41/525429841.db2.gz BNQZVNDPPTXWIL-MRDQGFSESA-N 0 0 446.934 6.034 50 30 IKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000000708740 525430178 /nfs/dbraw/zinc/43/01/78/525430178.db2.gz UOVHWDQSTBWHMY-RUZDIDTESA-N 0 0 443.543 6.175 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000001217704 525430531 /nfs/dbraw/zinc/43/05/31/525430531.db2.gz PIKWZUCRTCRENM-HFJWLAOPSA-N 0 0 441.487 5.583 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000000815912 525431106 /nfs/dbraw/zinc/43/11/06/525431106.db2.gz AVDNCSPUPQTZCG-PIIWDFAUSA-N 0 0 440.543 5.992 50 30 IKEARN Cc1ccc(OCc2nnc(SCc3cccc(C#N)c3)n2Cc2ccccc2)cc1C ZINC000016286137 525453445 /nfs/dbraw/zinc/45/34/45/525453445.db2.gz MEPSJATUVICICD-UHFFFAOYSA-N 0 0 440.572 5.686 50 30 IKEARN Cc1ccc(Oc2ccc(NC(=O)C3CCN(/C=C/C(=O)C(F)(F)F)CC3)cc2)cc1 ZINC000015980727 525474223 /nfs/dbraw/zinc/47/42/23/525474223.db2.gz YDXBKJUYNZEAEG-NTCAYCPXSA-N 0 0 432.442 5.083 50 30 IKEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccccc2)c2ccccc2Br)cc1 ZINC000018029419 525480474 /nfs/dbraw/zinc/48/04/74/525480474.db2.gz DNWCEZSQAPLOIB-UHFFFAOYSA-N 0 0 429.339 5.005 50 30 IKEARN Cc1ccc(S(=O)(=O)CC/C(=N\OCc2cccc(F)c2)c2ccc(Cl)cc2)cc1 ZINC000012954924 525485500 /nfs/dbraw/zinc/48/55/00/525485500.db2.gz UTYPQGKECHOHSU-WNAAXNPUSA-N 0 0 445.943 5.572 50 30 IKEARN COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(Oc3ccccc3)cc1)CC(C)(C)O2 ZINC000020683591 525505421 /nfs/dbraw/zinc/50/54/21/525505421.db2.gz JZRJFUMRKWZZJP-HPNDGRJYSA-N 0 0 447.560 5.739 50 30 IKEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc(Br)cc3)[C@@H]1CC2 ZINC000018127943 525507908 /nfs/dbraw/zinc/50/79/08/525507908.db2.gz WORYLAZEPKLIAL-GLKBCMMNSA-N 0 0 439.353 5.274 50 30 IKEARN Cc1c(/N=C/c2ccccc2OC(=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000002262606 525520946 /nfs/dbraw/zinc/52/09/46/525520946.db2.gz OZAUPUPIKGQSNL-JVWAILMASA-N 0 0 445.906 5.108 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000013591034 525521405 /nfs/dbraw/zinc/52/14/05/525521405.db2.gz DHWCOHRLBXKPKB-DHRITJCHSA-N 0 0 426.303 5.802 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000252448901 525532778 /nfs/dbraw/zinc/53/27/78/525532778.db2.gz SDYMIDMUFXWPCF-RLQYWUBHSA-N 0 0 438.514 6.415 50 30 IKEARN Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C ZINC000021722820 525561401 /nfs/dbraw/zinc/56/14/01/525561401.db2.gz AGQWWMJHABFVAB-VWLOTQADSA-N 0 0 448.544 5.266 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000009312173 525591215 /nfs/dbraw/zinc/59/12/15/525591215.db2.gz UOSHNJLDXINYON-JOCHJYFZSA-N 0 0 441.369 5.993 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4)ccc3C1=O)cn2C ZINC000009422281 525600337 /nfs/dbraw/zinc/60/03/37/525600337.db2.gz MNFBGVXLSMDJHY-WYMPLXKRSA-N 0 0 425.440 5.022 50 30 IKEARN Cc1ccc(-c2c3c4c(sc3nc3c2C[C@](C#N)(c2ccccc2)CC3)CCCC4)cc1 ZINC000009512366 525712857 /nfs/dbraw/zinc/71/28/57/525712857.db2.gz HKDACAUNLZMPAN-GDLZYMKVSA-N 0 0 434.608 7.101 50 30 IKEARN Cc1ccc(-c2cc(C(=O)OCC(=O)NC3(C#N)CCCCC3)c3ccccc3n2)c(C)c1 ZINC000013002439 525728343 /nfs/dbraw/zinc/72/83/43/525728343.db2.gz WOOPKQGSYATLQV-UHFFFAOYSA-N 0 0 441.531 5.018 50 30 IKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)o2)cc1Cl ZINC000012284811 525742047 /nfs/dbraw/zinc/74/20/47/525742047.db2.gz SODJNMUBRYUUIM-VQHVLOKHSA-N 0 0 437.322 8.026 50 30 IKEARN COc1cccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3[nH]2)c1 ZINC000049538701 525761118 /nfs/dbraw/zinc/76/11/18/525761118.db2.gz PWWXUHILWSNGJC-UYRXBGFRSA-N 0 0 444.487 5.021 50 30 IKEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c1OC ZINC000020650982 525767003 /nfs/dbraw/zinc/76/70/03/525767003.db2.gz UQNYGRMLIMRYTC-FMCGGJTJSA-N 0 0 439.552 5.140 50 30 IKEARN COc1cccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1OC ZINC000009215581 525767484 /nfs/dbraw/zinc/76/74/84/525767484.db2.gz YLWXIYQPGAHYOH-JJFYIABZSA-N 0 0 440.854 5.692 50 30 IKEARN COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1OC ZINC000002432929 525768378 /nfs/dbraw/zinc/76/83/78/525768378.db2.gz NHALFUIWFHBRER-MTJSOVHGSA-N 0 0 436.847 5.193 50 30 IKEARN COc1cccc(/C=C2\Sc3ccccc3C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000013590713 525770060 /nfs/dbraw/zinc/77/00/60/525770060.db2.gz BOLZBKPITIHMJR-NHDPSOOVSA-N 0 0 443.351 6.911 50 30 IKEARN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4ccccc4Cl)cc3)n2)cc1 ZINC000009925852 525781393 /nfs/dbraw/zinc/78/13/93/525781393.db2.gz CZPMPYCAHRLXGE-VULFUBBASA-N 0 0 447.947 6.437 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000064874081 525792170 /nfs/dbraw/zinc/79/21/70/525792170.db2.gz XQSGFJVHESHMTG-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccsc1/C=C1\C(=O)c2c(cccc2Oc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000012955559 525817115 /nfs/dbraw/zinc/81/71/15/525817115.db2.gz HKTBNOQEZATRBJ-GJISQHIDSA-N 0 0 442.967 7.914 50 30 IKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1C ZINC000003066536 525823567 /nfs/dbraw/zinc/82/35/67/525823567.db2.gz UMWQPQQYVDAXMW-UXHLAJHPSA-N 0 0 432.523 7.441 50 30 IKEARN Cc1ccsc1[C@@H]1c2c(C)nn(-c3cccc(Cl)c3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000014361057 525885550 /nfs/dbraw/zinc/88/55/50/525885550.db2.gz CTAKUWBJEVMYHL-OAQYLSRUSA-N 0 0 437.996 6.405 50 30 IKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C/c2ccc(Cl)cc2)CCCC4)cc1 ZINC000012650497 525893565 /nfs/dbraw/zinc/89/35/65/525893565.db2.gz XDMNSWDLCWHEDU-VULFUBBASA-N 0 0 448.979 5.734 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000253497761 525914067 /nfs/dbraw/zinc/91/40/67/525914067.db2.gz ANTLLZHQDMIOLB-YXKQFYMKSA-N 0 0 447.446 6.959 50 30 biogenic IKEARN C[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000089224316 525915813 /nfs/dbraw/zinc/91/58/13/525915813.db2.gz AFBDSAJOMZYQAI-CNOZUTPLSA-N 0 0 437.355 5.628 50 30 world IKEARN Cc1c2c(ccc1OC(=O)c1ccc(Cl)cc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009420958 525932279 /nfs/dbraw/zinc/93/22/79/525932279.db2.gz XZAFPBFHOUMQDZ-YDZHTSKRSA-N 0 0 443.886 5.976 50 30 IKEARN Cc1c2c(ccc1OCc1cccc(Cl)c1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009422246 525935085 /nfs/dbraw/zinc/93/50/85/525935085.db2.gz IONAXSZBJDZEKE-ZMOGYAJESA-N 0 0 429.903 6.335 50 30 IKEARN Cc1c2c(ccc1OCc1c(F)cccc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009422345 525935196 /nfs/dbraw/zinc/93/51/96/525935196.db2.gz SKHUFRCZPOGCOW-WYMPLXKRSA-N 0 0 447.893 6.474 50 30 IKEARN Cc1ccc(/C(CC23CC4CC(C2)CC(C/C(=N/O)c2ccc(C)s2)(C4)C3)=N\O)s1 ZINC000013756561 525941734 /nfs/dbraw/zinc/94/17/34/525941734.db2.gz QXSANBYNEGSURI-DQIQZUARSA-N 0 0 442.650 6.850 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102860209 525945216 /nfs/dbraw/zinc/94/52/16/525945216.db2.gz LSMHGTKATUANNY-ZHHPLPSFSA-N 0 0 429.516 5.507 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 ZINC000009283055 525970469 /nfs/dbraw/zinc/97/04/69/525970469.db2.gz UPLFVCCMLNRHSE-LDADJPATSA-N 0 0 426.950 6.284 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1 ZINC000020850490 525987160 /nfs/dbraw/zinc/98/71/60/525987160.db2.gz FCTGPFJVYUOKLL-QFIPXVFZSA-N 0 0 448.567 5.676 50 30 IKEARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1 ZINC000021683167 526008602 /nfs/dbraw/zinc/00/86/02/526008602.db2.gz OAIWNGQUWHMHFK-HNNXBMFYSA-N 0 0 426.592 5.091 50 30 IKEARN Cc1ccc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3Cl)o2)cc1 ZINC000020602398 526015161 /nfs/dbraw/zinc/01/51/61/526015161.db2.gz RIWKCTSTNKQPIB-MDZDMXLPSA-N 0 0 431.713 6.479 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000000861114 526043357 /nfs/dbraw/zinc/04/33/57/526043357.db2.gz MBGAFOVYUZEWKC-NIYFSFCBSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1cc(/C=C2\CC/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)n1-c1ccccc1 ZINC000004762428 526091679 /nfs/dbraw/zinc/09/16/79/526091679.db2.gz RPBOEZYGGFKWQO-FQHZWJPGSA-N 0 0 446.594 7.332 50 30 IKEARN CSc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000021722932 526125382 /nfs/dbraw/zinc/12/53/82/526125382.db2.gz RAKVWSBFRPGOKR-DEOSSOPVSA-N 0 0 445.544 6.214 50 30 IKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012652104 526143526 /nfs/dbraw/zinc/14/35/26/526143526.db2.gz IMIYEASXSPIHHA-SANMLTNESA-N 0 0 442.946 6.469 50 30 IKEARN Cc1cc(C(=O)CSc2nc(CCc3ccccc3)c3c(c2C#N)CCCC3)c(C)n1C ZINC000012635193 526214914 /nfs/dbraw/zinc/21/49/14/526214914.db2.gz UOQGWCMGHZOHRI-UHFFFAOYSA-N 0 0 443.616 5.548 50 30 IKEARN CSc1nc2ccc(/N=C/c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)cc2s1 ZINC000012428204 526216489 /nfs/dbraw/zinc/21/64/89/526216489.db2.gz MJVRWGWESRIFNK-SRZZPIQSSA-N 0 0 441.563 5.562 50 30 IKEARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000011869604 526218747 /nfs/dbraw/zinc/21/87/47/526218747.db2.gz DQKAQYMMVPTNJI-ZLBXDVNXSA-N 0 0 428.440 5.095 50 30 biogenic IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 ZINC000036611369 526225717 /nfs/dbraw/zinc/22/57/17/526225717.db2.gz XOTQPZVNMUSSJI-SSDVNMTOSA-N 0 0 428.901 5.276 50 30 IKEARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000035489179 526241940 /nfs/dbraw/zinc/24/19/40/526241940.db2.gz LATHMBIBTZXTOU-WEWMWRJBSA-N 0 0 433.486 5.544 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000009043174 526268512 /nfs/dbraw/zinc/26/85/12/526268512.db2.gz XMCCXPYRDDZXTN-HXUWFJFHSA-N 0 0 439.298 5.167 50 30 IKEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000048365397 526276777 /nfs/dbraw/zinc/27/67/77/526276777.db2.gz HGOTYGPFFGWLBC-UHFFFAOYSA-N 0 0 435.959 5.250 50 30 IKEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000032908836 526277343 /nfs/dbraw/zinc/27/73/43/526277343.db2.gz QKBNZFTXLSETMI-UHFFFAOYSA-N 0 0 430.596 5.453 50 30 IKEARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1/N=C1\SCC(=O)N1CC(C)C ZINC000017094367 526290363 /nfs/dbraw/zinc/29/03/63/526290363.db2.gz XOHCADDXOGODKQ-QOCHGBHMSA-N 0 0 425.385 5.074 50 30 IKEARN O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000012652126 526300657 /nfs/dbraw/zinc/30/06/57/526300657.db2.gz BGINIRZEPREMEX-RUZDIDTESA-N 0 0 434.967 6.427 50 30 IKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000012684775 526314956 /nfs/dbraw/zinc/31/49/56/526314956.db2.gz DTOKKZMWUMFVAG-ACCUITESSA-N 0 0 438.512 5.900 50 30 IKEARN O=C(C=C=CCSc1nnc(-c2cccc3ccccc32)o1)c1ccc([N+](=O)[O-])cc1 ZINC000010034869 526319563 /nfs/dbraw/zinc/31/95/63/526319563.db2.gz KGTSMVUHXKZJHA-UHFFFAOYSA-N 0 0 429.457 5.167 50 30 IKEARN Fc1ccc(Nc2nc(N=NCc3cccc4ccccc43)nc(N3CCCCC3)n2)cc1 ZINC000008397357 526355417 /nfs/dbraw/zinc/35/54/17/526355417.db2.gz YAMFACUMKIPIEB-WPWMEQJKSA-N 0 0 441.514 5.344 50 30 IKEARN Oc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000013304963 526369961 /nfs/dbraw/zinc/36/99/61/526369961.db2.gz JPGWXONZVVNIMI-MFKUBSTISA-N 0 0 445.320 5.725 50 30 IKEARN Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@H]12 ZINC000012375287 526369975 /nfs/dbraw/zinc/36/99/75/526369975.db2.gz PPJFANUQDXSZTQ-WUVSORNESA-N 0 0 426.516 5.656 50 30 IKEARN O=C(O/N=C/c1c(F)cccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000002153091 526414400 /nfs/dbraw/zinc/41/44/00/526414400.db2.gz COJVDNDPUVWPDH-JQAMDZJQSA-N 0 0 446.187 5.528 50 30 IKEARN N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21 ZINC000020507154 526429692 /nfs/dbraw/zinc/42/96/92/526429692.db2.gz KHTWMFGHUATBSM-ZDXQCDESSA-N 0 0 425.488 5.297 50 30 IKEARN N#CC1(C#N)[C@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000020814322 526430709 /nfs/dbraw/zinc/43/07/09/526430709.db2.gz QZNUVBSFMIMCKU-AKFKNWHVSA-N 0 0 425.488 5.297 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 ZINC000008926469 526431014 /nfs/dbraw/zinc/43/10/14/526431014.db2.gz OXCIYJZVMDHYKH-SMIHKQSGSA-N 0 0 436.902 5.019 50 30 IKEARN N#CC1(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)CCCCC1 ZINC000009595412 526437326 /nfs/dbraw/zinc/43/73/26/526437326.db2.gz AYBXVAAROKKXGP-UHFFFAOYSA-N 0 0 428.608 5.301 50 30 IKEARN O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl ZINC000033347588 526438458 /nfs/dbraw/zinc/43/84/58/526438458.db2.gz FWVAUVWZIOZWNX-RGVLZGJSSA-N 0 0 427.308 6.542 50 30 IKEARN N#CC1(c2ccccc2)C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 ZINC000025424860 526439403 /nfs/dbraw/zinc/43/94/03/526439403.db2.gz UQKCZQYCSDNAOB-NNFYUIBOSA-N 0 0 444.361 7.285 50 30 IKEARN N#CCC[C@@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000012558062 526465365 /nfs/dbraw/zinc/46/53/65/526465365.db2.gz WVPXDRSKAKXGGJ-HNNXBMFYSA-N 0 0 432.940 5.605 50 30 IKEARN N#CCCn1cc(/C=C\C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c2ccccc21 ZINC000096912765 526465737 /nfs/dbraw/zinc/46/57/37/526465737.db2.gz NWRWOYNTZGUVHM-DSTYWPJMSA-N 0 0 440.572 5.932 50 30 IKEARN N#CCCn1cc(/C=C\C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 ZINC000096565413 526466619 /nfs/dbraw/zinc/46/66/19/526466619.db2.gz DBEBMEDFGOSAFN-KHPPLWFESA-N 0 0 440.572 5.584 50 30 IKEARN N#CCCn1cc(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 ZINC000058173617 526466721 /nfs/dbraw/zinc/46/67/21/526466721.db2.gz MISHNZJBHMZFAD-UHFFFAOYSA-N 0 0 428.561 5.227 50 30 IKEARN N#CCCn1cc(/C=C\C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 ZINC000096578749 526466883 /nfs/dbraw/zinc/46/68/83/526466883.db2.gz VLEYJOXJXIIDKX-GHYICZDASA-N 0 0 440.572 5.584 50 30 IKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 ZINC000013097502 526467594 /nfs/dbraw/zinc/46/75/94/526467594.db2.gz SVSLTKPRECYPQG-QHCPKHFHSA-N 0 0 425.923 6.376 50 30 IKEARN N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000012651179 526467803 /nfs/dbraw/zinc/46/78/03/526467803.db2.gz RKWYVGHMYSXMJU-UHFFFAOYSA-N 0 0 441.922 6.113 50 30 IKEARN N#CCN(C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1 ZINC000009466916 526469628 /nfs/dbraw/zinc/46/96/28/526469628.db2.gz ZLPNTDWTWVILHP-UHFFFAOYSA-N 0 0 436.587 5.516 50 30 IKEARN N#CCN(Cc1ccccc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000040155488 526471485 /nfs/dbraw/zinc/47/14/85/526471485.db2.gz CKPNAIBIJUSRSL-UHFFFAOYSA-N 0 0 429.524 5.193 50 30 IKEARN N#CCSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002634150 526480287 /nfs/dbraw/zinc/48/02/87/526480287.db2.gz XNUQTMGWQYNWPH-UHFFFAOYSA-N 0 0 429.254 5.876 50 30 IKEARN N#CCc1ccc(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cc1 ZINC000012533889 526484680 /nfs/dbraw/zinc/48/46/80/526484680.db2.gz NNMUUSILSLEVIB-UHFFFAOYSA-N 0 0 447.589 5.062 50 30 IKEARN N#C[C@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 ZINC000013148084 526504092 /nfs/dbraw/zinc/50/40/92/526504092.db2.gz NOZFJVJCQZHKGF-FQEVSTJZSA-N 0 0 434.540 5.558 50 30 IKEARN N#C[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000001389524 526511356 /nfs/dbraw/zinc/51/13/56/526511356.db2.gz FGFBGJULTWVNAN-GFCCVEGCSA-N 0 0 426.276 5.231 50 30 IKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCCN1CCOCC1 ZINC000020814256 526515823 /nfs/dbraw/zinc/51/58/23/526515823.db2.gz GNONEPDKKDHPSG-UHFFFAOYSA-N 0 0 442.009 5.426 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)NC1CCCCC1 ZINC000016425943 526517025 /nfs/dbraw/zinc/51/70/25/526517025.db2.gz KTDMLSBJOKKLJV-UHFFFAOYSA-N 0 0 433.499 5.570 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc(-c2cccs2)c2c1CCCC2 ZINC000008986470 526530865 /nfs/dbraw/zinc/53/08/65/526530865.db2.gz VYSSCQKSSVMKKB-UHFFFAOYSA-N 0 0 431.413 7.160 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(-c2ccccc2)cc1/C=C\c1ccc2c(c1)OCCO2 ZINC000033502839 526533880 /nfs/dbraw/zinc/53/38/80/526533880.db2.gz OFLWHDSRSVAYBP-BENRWUELSA-N 0 0 429.479 5.968 50 30 IKEARN N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000033011050 526580815 /nfs/dbraw/zinc/58/08/15/526580815.db2.gz BUYIABIYSAQWIX-UHFFFAOYSA-N 0 0 442.313 5.253 50 30 IKEARN N#Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)cc1 ZINC000020523323 526586160 /nfs/dbraw/zinc/58/61/60/526586160.db2.gz KTLNRAOEESBNJO-VYIQYICTSA-N 0 0 444.288 5.552 50 30 IKEARN N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)s2)cc1 ZINC000012783780 526631858 /nfs/dbraw/zinc/63/18/58/526631858.db2.gz VQLYVLMYKNHZRD-UHFFFAOYSA-N 0 0 444.541 5.172 50 30 IKEARN O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012636813 526636904 /nfs/dbraw/zinc/63/69/04/526636904.db2.gz DSZVJUOPOWGAMO-UHFFFAOYSA-N 0 0 432.295 5.448 50 30 IKEARN N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1Cl ZINC000015532690 526653788 /nfs/dbraw/zinc/65/37/88/526653788.db2.gz PMMJFNTVQOBYMV-UHFFFAOYSA-N 0 0 432.730 5.279 50 30 IKEARN O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022643283 526663852 /nfs/dbraw/zinc/66/38/52/526663852.db2.gz LMMMNDPMMLDTEJ-UHFFFAOYSA-N 0 0 433.367 5.958 50 30 IKEARN N#Cc1ccc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c(Cl)c1 ZINC000012794739 526671902 /nfs/dbraw/zinc/67/19/02/526671902.db2.gz XYJNGJYSIGEWFF-LJQANCHMSA-N 0 0 445.862 5.308 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009575285 526676696 /nfs/dbraw/zinc/67/66/96/526676696.db2.gz SCVOZDPFOPEBOP-ZSEKCTLFSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033026470 526676819 /nfs/dbraw/zinc/67/68/19/526676819.db2.gz AKLUZVOIEKVLJU-ASSNKEHSSA-N 0 0 441.314 5.954 50 30 IKEARN N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)o1 ZINC000012469248 526733625 /nfs/dbraw/zinc/73/36/25/526733625.db2.gz VBNGACPOONQMPX-UCQKPKSFSA-N 0 0 438.533 6.377 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012691177 526733698 /nfs/dbraw/zinc/73/36/98/526733698.db2.gz RSQMPSBZZQQTBA-UHFFFAOYSA-N 0 0 433.515 5.462 50 30 IKEARN N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000015012051 526736605 /nfs/dbraw/zinc/73/66/05/526736605.db2.gz JNRVANJSPHKXBH-OEAKJJBVSA-N 0 0 442.565 5.539 50 30 IKEARN N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012757248 526738620 /nfs/dbraw/zinc/73/86/20/526738620.db2.gz RGKVPMLJMVKWKK-VQTJNVASSA-N 0 0 435.618 5.491 50 30 IKEARN N#Cc1ccccc1Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O ZINC000012865614 526739040 /nfs/dbraw/zinc/73/90/40/526739040.db2.gz CHHHQMHGNFIRBJ-UHFFFAOYSA-N 0 0 446.601 5.092 50 30 IKEARN N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1N1CCCCCC1 ZINC000033324482 526784951 /nfs/dbraw/zinc/78/49/51/526784951.db2.gz AIRSHBWWRNTJAH-UHFFFAOYSA-N 0 0 442.313 5.528 50 30 IKEARN O=C(c1cccc2ccccc21)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1 ZINC000012652178 526785024 /nfs/dbraw/zinc/78/50/24/526785024.db2.gz GRHIJDUPTQCUDF-LJAQVGFWSA-N 0 0 444.534 6.661 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000000669925 526798301 /nfs/dbraw/zinc/79/83/01/526798301.db2.gz KQWSHJJCECJSCG-RUZDIDTESA-N 0 0 439.471 5.412 50 30 IKEARN N=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(CSc2ccccn2)c1 ZINC000013658418 526810694 /nfs/dbraw/zinc/81/06/94/526810694.db2.gz YPCLWBRDGHYSAZ-UHFFFAOYSA-N 0 0 432.332 5.158 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccccc1 ZINC000021722024 526827144 /nfs/dbraw/zinc/82/71/44/526827144.db2.gz BJDHASRHBIEXCH-VWLOTQADSA-N 0 0 429.545 5.367 50 30 IKEARN Cc1sc2nc(C)nc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c2c1C ZINC000022168230 526890547 /nfs/dbraw/zinc/89/05/47/526890547.db2.gz UYYYFIHBQCNOGK-AWEZNQCLSA-N 0 0 428.558 5.183 50 30 IKEARN Clc1ccc(-c2nc3cc(N=Cc4cccc(Br)c4)ccc3[nH]2)c(Cl)c1 ZINC000013550458 526936304 /nfs/dbraw/zinc/93/63/04/526936304.db2.gz YUGJGHIOFVXWQU-BHGWPJFGSA-N 0 0 445.147 7.050 50 30 IKEARN O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)S/C(=N\c2ccccc2)N1C1CC1 ZINC000008497079 526938566 /nfs/dbraw/zinc/93/85/66/526938566.db2.gz IJCKTLPHKMQYDC-XUYYCWMVSA-N 0 0 438.350 5.697 50 30 IKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(Cl)c1 ZINC000008934990 526938512 /nfs/dbraw/zinc/93/85/12/526938512.db2.gz BLTRMNJIPYPTKN-DNTJNYDQSA-N 0 0 427.154 6.325 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(Cl)cc1 ZINC000020115393 526939910 /nfs/dbraw/zinc/93/99/10/526939910.db2.gz OSUWILFLOHLUFU-HOFJZWJUSA-N 0 0 434.366 6.545 50 30 IKEARN O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013575678 526940138 /nfs/dbraw/zinc/94/01/38/526940138.db2.gz JSBIVTUUISRGHS-CPFLNSBHSA-N 0 0 445.456 5.132 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013550173 526940411 /nfs/dbraw/zinc/94/04/11/526940411.db2.gz CGSSCFISYSKLIY-NJMAKWBESA-N 0 0 435.892 6.057 50 30 IKEARN O=C1C(=NNc2ccccc2)c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000100327170 526948116 /nfs/dbraw/zinc/94/81/16/526948116.db2.gz VFLBDEVHPPWTGU-VFCFBJKWSA-N 0 0 429.829 5.722 50 30 IKEARN O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000020224102 526959780 /nfs/dbraw/zinc/95/97/80/526959780.db2.gz VACBLZYETQTWCE-QGZVFWFLSA-N 0 0 449.494 5.288 50 30 IKEARN Clc1ccc(Sc2oc(/C=N/c3ccc4c(c3)OCO4)cc2Br)cc1 ZINC000015227481 526960837 /nfs/dbraw/zinc/96/08/37/526960837.db2.gz MGUNXPOXDALTPO-ZVBGSRNCSA-N 0 0 436.714 6.326 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000009264145 526966095 /nfs/dbraw/zinc/96/60/95/526966095.db2.gz YFWSVQLVBLNGDU-AREMUKBSSA-N 0 0 449.381 7.174 50 30 IKEARN O=C1CCCC2=C1C(c1cccc(OCc3ccc(Cl)cc3)c1)C1=C(CCCC1=O)O2 ZINC000001158127 526966468 /nfs/dbraw/zinc/96/64/68/526966468.db2.gz UMDLNCHRTUPMSS-UHFFFAOYSA-N 0 0 434.919 6.047 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@H](c3ccc(Cl)cc3)C12 ZINC000020135527 526966493 /nfs/dbraw/zinc/96/64/93/526966493.db2.gz XFVXPCDOBHLLPI-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000009559935 527023279 /nfs/dbraw/zinc/02/32/79/527023279.db2.gz JUEYCOQFLNHMEV-CVDCTZTESA-N 0 0 427.475 5.622 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196235 527024895 /nfs/dbraw/zinc/02/48/95/527024895.db2.gz JIBVDMOFOBRWAP-PSLXWICFSA-N 0 0 435.932 6.088 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 ZINC000000709500 527024971 /nfs/dbraw/zinc/02/49/71/527024971.db2.gz KMNOZBRXYDIKND-BVZFJXPGSA-N 0 0 434.461 6.685 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000009243060 527032103 /nfs/dbraw/zinc/03/21/03/527032103.db2.gz ZBQOOGVMABWGQS-MZNJEOGPSA-N 0 0 426.907 5.500 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196232 527032445 /nfs/dbraw/zinc/03/24/45/527032445.db2.gz JIBVDMOFOBRWAP-FATZIPQQSA-N 0 0 435.932 6.088 50 30 IKEARN O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000009559936 527032649 /nfs/dbraw/zinc/03/26/49/527032649.db2.gz JUEYCOQFLNHMEV-WMZHIEFXSA-N 0 0 427.475 5.622 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 ZINC000000709499 527032754 /nfs/dbraw/zinc/03/27/54/527032754.db2.gz KMNOZBRXYDIKND-IQGLISFBSA-N 0 0 434.461 6.685 50 30 IKEARN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095660893 527033398 /nfs/dbraw/zinc/03/33/98/527033398.db2.gz ALKGBVQDMOFBFB-UHFFFAOYSA-N 0 0 448.310 5.869 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000000729593 527033779 /nfs/dbraw/zinc/03/37/79/527033779.db2.gz PNGNWPJWZXHUKW-ZLOXQWCVSA-N 0 0 441.383 7.034 50 30 IKEARN O=C1N(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C(F)(F)F)c2)SC12CC2 ZINC000095629524 527039464 /nfs/dbraw/zinc/03/94/64/527039464.db2.gz MLCRTQZBRKUHCG-QQXSKIMKSA-N 0 0 430.373 6.024 50 30 IKEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNCc1ccc(Cl)cc1Cl ZINC000100444444 527119314 /nfs/dbraw/zinc/11/93/14/527119314.db2.gz KZROVECMBCWBLY-NTUHNPAUSA-N 0 0 432.532 5.649 50 30 IKEARN O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\c1c(F)cccc1Cl ZINC000001861506 527123525 /nfs/dbraw/zinc/12/35/25/527123525.db2.gz KSPRSBXIRCWOJQ-NHDPSOOVSA-N 0 0 425.799 5.583 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\C=C\c1ccccc1 ZINC000013551152 527124491 /nfs/dbraw/zinc/12/44/91/527124491.db2.gz DMZXBOSPPFZBPO-KACMKLLYSA-N 0 0 438.888 5.280 50 30 IKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(Cl)c(Cl)c1 ZINC000034769455 527136464 /nfs/dbraw/zinc/13/64/64/527136464.db2.gz RKEAEUIGQRUTDR-UHFFFAOYSA-N 0 0 436.751 5.487 50 30 IKEARN O=S(=O)(/N=C/c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003028408 527160989 /nfs/dbraw/zinc/16/09/89/527160989.db2.gz LSAMVLKQPXGBON-ZVHZXABRSA-N 0 0 433.360 5.360 50 30 IKEARN O=C(Nc1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722354 527200691 /nfs/dbraw/zinc/20/06/91/527200691.db2.gz UXMJPCZSTGZVAR-QHCPKHFHSA-N 0 0 433.508 6.100 50 30 IKEARN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000049872331 527244775 /nfs/dbraw/zinc/24/47/75/527244775.db2.gz XWIMTSBJNRIAGD-UHFFFAOYSA-N 0 0 437.283 5.544 50 30 IKEARN O=S(=O)(Oc1ccccc1CN=Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000014257463 527262069 /nfs/dbraw/zinc/26/20/69/527262069.db2.gz IDRRGLKPSDHCRX-HZHRSRAPSA-N 0 0 435.530 5.024 50 30 IKEARN O=[N+]([O-])C(C=Nc1cccc(Br)c1)=CNc1cccc(Br)c1 ZINC000100701493 527318416 /nfs/dbraw/zinc/31/84/16/527318416.db2.gz UENBASIZYBEXNQ-SUQUQSPJSA-N 0 0 425.080 5.144 50 30 IKEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NC1c2ccccc2-c2ccccc21 ZINC000012601152 527328069 /nfs/dbraw/zinc/32/80/69/527328069.db2.gz FPOGTZVZNXREAT-UHFFFAOYSA-N 0 0 428.326 5.367 50 30 IKEARN O=C(Nc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1)c1cccs1 ZINC000022879367 527329439 /nfs/dbraw/zinc/32/94/39/527329439.db2.gz XKNVHVQCPCEXKZ-UHFFFAOYSA-N 0 0 428.538 5.714 50 30 IKEARN O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012960310 527343895 /nfs/dbraw/zinc/34/38/95/527343895.db2.gz NKAJMJNCVXJYNQ-BGEKPKEUSA-N 0 0 436.895 5.852 50 30 IKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 ZINC000014923660 527359187 /nfs/dbraw/zinc/35/91/87/527359187.db2.gz AHQRGEMLHBQZBL-WSDLNYQXSA-N 0 0 426.816 5.181 50 30 IKEARN O=[N+]([O-])c1cccc(/C=N/c2csc3nc(-c4ccccc4)cc(-c4ccccc4)c23)c1 ZINC000101257821 527385236 /nfs/dbraw/zinc/38/52/36/527385236.db2.gz LQLCVVCYQHQZBQ-JVWAILMASA-N 0 0 435.508 7.289 50 30 IKEARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1 ZINC000012629310 527395251 /nfs/dbraw/zinc/39/52/51/527395251.db2.gz WMXBFICETBXZPQ-PQHDRGKASA-N 0 0 443.572 5.280 50 30 IKEARN O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1 ZINC000012629313 527396626 /nfs/dbraw/zinc/39/66/26/527396626.db2.gz WMXBFICETBXZPQ-WNMDNWPKSA-N 0 0 443.572 5.280 50 30 IKEARN O=C(Nc1ccccc1Cl)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000012959259 527417201 /nfs/dbraw/zinc/41/72/01/527417201.db2.gz BOZHKOACNZJEFC-GHOZOMOVSA-N 0 0 432.820 5.419 50 30 IKEARN O=[S@@](c1ccc(Cl)cc1)c1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cn1 ZINC000012958198 527425674 /nfs/dbraw/zinc/42/56/74/527425674.db2.gz SDWYPPGZQZCWFS-NOMMVBCKSA-N 0 0 439.751 5.759 50 30 IKEARN O=C(N/C=N/OCc1ccc(Cl)cc1Cl)NOCc1ccc(Cl)c(Cl)c1 ZINC000012956289 527434590 /nfs/dbraw/zinc/43/45/90/527434590.db2.gz DNBSWVAHYWHWHV-UHFFFAOYSA-N 0 0 437.110 5.191 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000012347979 527456054 /nfs/dbraw/zinc/45/60/54/527456054.db2.gz BLVYYHHPVIVNLD-XMMPIXPASA-N 0 0 433.511 5.397 50 30 IKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1Cc1ccccc1)CCCC3 ZINC000008934338 527458849 /nfs/dbraw/zinc/45/88/49/527458849.db2.gz VEMMUFPKBXYMHM-VULFUBBASA-N 0 0 448.979 5.485 50 30 IKEARN O=C(CSCc1cc(-c2cccs2)on1)Nc1cccc(NCC(F)(F)F)c1 ZINC000328591396 527504254 /nfs/dbraw/zinc/50/42/54/527504254.db2.gz BUMVHPKVMVMTSV-UHFFFAOYSA-N 0 0 427.473 5.899 50 30 IKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012604540 527528376 /nfs/dbraw/zinc/52/83/76/527528376.db2.gz ASHLEVLTHOHXEG-XMMPIXPASA-N 0 0 444.554 5.586 50 30 IKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012604538 527528953 /nfs/dbraw/zinc/52/89/53/527528953.db2.gz ASHLEVLTHOHXEG-DEOSSOPVSA-N 0 0 444.554 5.586 50 30 IKEARN Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000015980928 527530616 /nfs/dbraw/zinc/53/06/16/527530616.db2.gz YGCOJOQDHKRULJ-NTUHNPAUSA-N 0 0 448.548 5.818 50 30 IKEARN O=C(Nc1sc(N=NCc2ccco2)nc1-c1ccc(Cl)cc1)c1cccs1 ZINC000016753174 527540016 /nfs/dbraw/zinc/54/00/16/527540016.db2.gz KRTLQFAQNQYAJJ-SRZZPIQSSA-N 0 0 428.926 5.816 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013569350 527553642 /nfs/dbraw/zinc/55/36/42/527553642.db2.gz NJBKABMZUCSEPZ-RXFWQSSRSA-N 0 0 448.526 5.240 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018199727 527553884 /nfs/dbraw/zinc/55/38/84/527553884.db2.gz VLYFPWGBPONZCI-KOSHJBKYSA-N 0 0 438.556 5.595 50 30 IKEARN Cc1nn(-c2ccccc2)cc1/C=C1\CC(C)C/C(=C/c2cn(-c3ccccc3)nc2C)C1=O ZINC000021487132 527557658 /nfs/dbraw/zinc/55/76/58/527557658.db2.gz PTKFOYVJYITOSK-JVBWRSBESA-N 0 0 448.570 6.141 50 30 IKEARN O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000072193906 527596457 /nfs/dbraw/zinc/59/64/57/527596457.db2.gz IHJRFJPQJFYAPL-IHWZAFJDSA-N 0 0 443.930 5.303 50 30 IKEARN O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000072193905 527597333 /nfs/dbraw/zinc/59/73/33/527597333.db2.gz IHJRFJPQJFYAPL-GMRPVLNISA-N 0 0 443.930 5.303 50 30 IKEARN O=C(C=CNc1ccc(Cl)cc1F)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000100418345 527598602 /nfs/dbraw/zinc/59/86/02/527598602.db2.gz IAXGGQMDCTZXJU-ZHACJKMWSA-N 0 0 434.269 6.659 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000012566316 527603100 /nfs/dbraw/zinc/60/31/00/527603100.db2.gz DSJYWMYLPQTSSY-ZRDIBKRKSA-N 0 0 429.928 7.704 50 30 IKEARN O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1 ZINC000020509962 527612870 /nfs/dbraw/zinc/61/28/70/527612870.db2.gz YGDXBCKMROYHHD-PQHBRNLVSA-N 0 0 428.535 6.938 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(Cl)cc1C ZINC000032972576 527628214 /nfs/dbraw/zinc/62/82/14/527628214.db2.gz BYSVPSBNDAHASN-UHFFFAOYSA-N 0 0 437.975 5.014 50 30 IKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl ZINC000008438691 527630075 /nfs/dbraw/zinc/63/00/75/527630075.db2.gz AYRZFHJNKMIXRS-RFAWQRTRSA-N 0 0 429.903 5.518 50 30 IKEARN O=C(/C=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)cc1 ZINC000097359938 527633484 /nfs/dbraw/zinc/63/34/84/527633484.db2.gz FCMDBCYIDNQJGM-ZCJKAFFOSA-N 0 0 430.503 7.271 50 30 IKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000009419379 527633868 /nfs/dbraw/zinc/63/38/68/527633868.db2.gz QTPQJWDEWHKIOE-TXTIWSOFSA-N 0 0 447.284 5.684 50 30 IKEARN O=C(C=C1NC(c2ccccc2)=C(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000002305416 527651567 /nfs/dbraw/zinc/65/15/67/527651567.db2.gz OAWZWXUFVBUOMH-HKWRFOASSA-N 0 0 430.301 5.257 50 30 IKEARN O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000035223389 527655196 /nfs/dbraw/zinc/65/51/96/527655196.db2.gz RZNXCPVJWOQYTG-WQLSENKSSA-N 0 0 438.376 5.454 50 30 IKEARN O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000033740032 527656386 /nfs/dbraw/zinc/65/63/86/527656386.db2.gz WXKQREZLZURXNV-QPEQYQDCSA-N 0 0 439.496 6.099 50 30 IKEARN O=C(C(=O)c1ccc(C#Cc2ccc(F)cc2)cc1)c1ccc(C#Cc2ccc(F)cc2)cc1 ZINC000002304154 527667491 /nfs/dbraw/zinc/66/74/91/527667491.db2.gz YRMRMRMSNRNNNK-UHFFFAOYSA-N 0 0 446.452 5.830 50 30 IKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(C)cc2)CC1 ZINC000005354709 535077812 /nfs/dbraw/zinc/07/78/12/535077812.db2.gz LKGUWMGDYINCHI-UHFFFAOYSA-N 0 0 437.591 5.645 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000626573 555512930 /nfs/dbraw/zinc/51/29/30/555512930.db2.gz RTRJDKRKYJMMAP-IBGZPJMESA-N 0 0 432.358 5.005 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000000626970 555512989 /nfs/dbraw/zinc/51/29/89/555512989.db2.gz YGGFGMYIPDTDLB-XMMPIXPASA-N 0 0 431.532 5.043 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000628604 555513757 /nfs/dbraw/zinc/51/37/57/555513757.db2.gz ZCQCQARHSHQXHQ-UHFFFAOYSA-N 0 0 449.978 6.573 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000628602 555513783 /nfs/dbraw/zinc/51/37/83/555513783.db2.gz YHWWFAYHZHMFBP-HSZRJFAPSA-N 0 0 439.939 5.767 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000000630715 555514637 /nfs/dbraw/zinc/51/46/37/555514637.db2.gz LYLCHAAMYDNCQX-MMTVBGGISA-N 0 0 439.559 5.741 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000000649740 555522477 /nfs/dbraw/zinc/52/24/77/555522477.db2.gz CUAQGFKCHYSLKC-JOCHJYFZSA-N 0 0 439.353 5.612 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000666735 555528602 /nfs/dbraw/zinc/52/86/02/555528602.db2.gz TZHQCUTUDAQUHL-QFQXNSOFSA-N 0 0 445.559 5.256 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl ZINC000000668370 555529935 /nfs/dbraw/zinc/52/99/35/555529935.db2.gz BWBNFUAXBGAFBL-HSZRJFAPSA-N 0 0 443.374 6.546 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000000669927 555530381 /nfs/dbraw/zinc/53/03/81/555530381.db2.gz KQWSHJJCECJSCG-VWLOTQADSA-N 0 0 439.471 5.412 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O[C@H](C)CC ZINC000000671962 555531537 /nfs/dbraw/zinc/53/15/37/555531537.db2.gz BELHMXOTTYPSEN-DNOBIOAJSA-N 0 0 446.591 6.417 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc4c(c2)OCO4)C3)s1 ZINC000000676838 555535202 /nfs/dbraw/zinc/53/52/02/555535202.db2.gz HTMLOCJJKALHQD-CPJLOUKISA-N 0 0 430.529 5.765 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000000681726 555537418 /nfs/dbraw/zinc/53/74/18/555537418.db2.gz MWVFFRFOJIOESC-SIBVEZHUSA-N 0 0 425.488 5.883 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc32)cc1 ZINC000000681731 555537431 /nfs/dbraw/zinc/53/74/31/555537431.db2.gz SGENHWCBNUIGCF-JMQGSBJISA-N 0 0 435.527 6.156 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccco1 ZINC000000681735 555537463 /nfs/dbraw/zinc/53/74/63/555537463.db2.gz MNMDEHXZKFJNTK-CRICUBBOSA-N 0 0 443.459 5.108 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000000681724 555537492 /nfs/dbraw/zinc/53/74/92/555537492.db2.gz MWVFFRFOJIOESC-BCHFMIIMSA-N 0 0 425.488 5.883 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000681877 555537707 /nfs/dbraw/zinc/53/77/07/555537707.db2.gz UNQYSMUMZWEZGU-QYBDOPJKSA-N 0 0 441.487 5.583 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccccc1Cl ZINC000000682658 555538227 /nfs/dbraw/zinc/53/82/27/555538227.db2.gz CTZAXLCKRMFICN-HXUWFJFHSA-N 0 0 448.872 6.045 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccccc1Cl ZINC000000682659 555538231 /nfs/dbraw/zinc/53/82/31/555538231.db2.gz CTZAXLCKRMFICN-FQEVSTJZSA-N 0 0 448.872 6.045 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000000709538 555546412 /nfs/dbraw/zinc/54/64/12/555546412.db2.gz JQNXMVSIJFLSCI-MMTVBGGISA-N 0 0 440.543 6.073 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1OC ZINC000000709634 555546426 /nfs/dbraw/zinc/54/64/26/555546426.db2.gz SQPJLGCMLIETMA-QLXKLKPCSA-N 0 0 446.572 6.053 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000000709516 555546462 /nfs/dbraw/zinc/54/64/62/555546462.db2.gz OJVSDPMGDOHGSH-QYBDOPJKSA-N 0 0 426.516 5.683 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 ZINC000000709464 555546494 /nfs/dbraw/zinc/54/64/94/555546494.db2.gz KFDGLDPNDVLWLR-LMKMVOKYSA-N 0 0 445.906 6.228 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000000709477 555546525 /nfs/dbraw/zinc/54/65/25/555546525.db2.gz UEXIRONLZCSIGY-XMMPIXPASA-N 0 0 430.504 5.267 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000000709517 555546536 /nfs/dbraw/zinc/54/65/36/555546536.db2.gz OJVSDPMGDOHGSH-HFJWLAOPSA-N 0 0 426.516 5.683 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000709963 555546819 /nfs/dbraw/zinc/54/68/19/555546819.db2.gz HJCKFKPMUDVFJX-IQGLISFBSA-N 0 0 434.461 6.685 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1OC ZINC000000709640 555546825 /nfs/dbraw/zinc/54/68/25/555546825.db2.gz MTEXHNHGKQLPMQ-XRHLQHRESA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1OC ZINC000000709952 555546850 /nfs/dbraw/zinc/54/68/50/555546850.db2.gz CCSSORKAWNHSNJ-DNOBIOAJSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC ZINC000000709673 555546872 /nfs/dbraw/zinc/54/68/72/555546872.db2.gz BMGCNEXJQXCUPY-DWXRJYCRSA-N 0 0 427.504 5.078 50 30 IKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000000710620 555547130 /nfs/dbraw/zinc/54/71/30/555547130.db2.gz DREGCMXRRNUOIK-XCLFUZPHSA-N 0 0 446.385 5.395 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(OC)c(Br)c4)ccc3o2)cc1 ZINC000000711646 555547473 /nfs/dbraw/zinc/54/74/73/555547473.db2.gz LUXANNRSYYJYCU-ZMOGYAJESA-N 0 0 437.293 6.025 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1O ZINC000000718068 555549347 /nfs/dbraw/zinc/54/93/47/555549347.db2.gz LEWZYXRJQLNBGU-AKJBCIBTSA-N 0 0 446.934 6.034 50 30 biogenic,in-vitro IKEARN COc1cc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000718230 555549479 /nfs/dbraw/zinc/54/94/79/555549479.db2.gz OQNRXDDJICPRGJ-HSZRJFAPSA-N 0 0 430.504 5.134 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000000720131 555549650 /nfs/dbraw/zinc/54/96/50/555549650.db2.gz SUQRXGNRUNKAAR-OWJWWREXSA-N 0 0 432.545 5.745 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 ZINC000000720842 555549869 /nfs/dbraw/zinc/54/98/69/555549869.db2.gz HDMIDZMGSQUFQA-ADXZGYQBSA-N 0 0 446.506 6.031 50 30 IKEARN CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000720755 555549889 /nfs/dbraw/zinc/54/98/89/555549889.db2.gz ZHVJSRZXIJMSLS-QHCPKHFHSA-N 0 0 440.971 6.283 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1O ZINC000000729455 555552622 /nfs/dbraw/zinc/55/26/22/555552622.db2.gz GNKHAOYTTTZSRO-BSEYFRJRSA-N 0 0 448.544 5.450 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000752193 555553627 /nfs/dbraw/zinc/55/36/27/555553627.db2.gz ZCUGSWXAZIKTEJ-QHCPKHFHSA-N 0 0 435.951 5.687 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccsc2)cc1 ZINC000000781162 555555054 /nfs/dbraw/zinc/55/50/54/555555054.db2.gz PVQUMWOXIGBNQT-QFIPXVFZSA-N 0 0 437.561 5.104 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000000781132 555555057 /nfs/dbraw/zinc/55/50/57/555555057.db2.gz COCBLBSQRYDPIB-XRHLQHRESA-N 0 0 426.516 5.683 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000000781131 555555066 /nfs/dbraw/zinc/55/50/66/555555066.db2.gz COCBLBSQRYDPIB-MYUZEXMDSA-N 0 0 426.516 5.683 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781255 555555231 /nfs/dbraw/zinc/55/52/31/555555231.db2.gz LNQPVILKDZBTBG-KSFYIVLOSA-N 0 0 425.525 5.200 50 30 IKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 ZINC000000805505 555559948 /nfs/dbraw/zinc/55/99/48/555559948.db2.gz BFLSOFSVIURLKS-NGOKVRLYSA-N 0 0 440.543 6.073 50 30 IKEARN COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc(OC)c1OC ZINC000000806598 555560046 /nfs/dbraw/zinc/56/00/46/555560046.db2.gz PQFJEWKLYNXFGB-VWLOTQADSA-N 0 0 431.513 5.579 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1OC ZINC000000812853 555560864 /nfs/dbraw/zinc/56/08/64/555560864.db2.gz KEJCZAYCFMYQRW-CRYYWNKWSA-N 0 0 444.506 5.822 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)o1 ZINC000000821076 555563840 /nfs/dbraw/zinc/56/38/40/555563840.db2.gz BMNWLYWOLFZPFA-CCLHPLFOSA-N 0 0 445.559 5.826 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000822769 555564590 /nfs/dbraw/zinc/56/45/90/555564590.db2.gz URHCQHNCKYUNEI-YADARESESA-N 0 0 435.951 5.653 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000000844131 555568772 /nfs/dbraw/zinc/56/87/72/555568772.db2.gz SJNPZJQFLYAIKK-HXOBKFHXSA-N 0 0 439.914 5.404 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc2c(cc1Cl)OCO2 ZINC000000851458 555570442 /nfs/dbraw/zinc/57/04/42/555570442.db2.gz MZHUNDCNEGIOGO-VWLOTQADSA-N 0 0 431.919 6.531 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000853746 555570790 /nfs/dbraw/zinc/57/07/90/555570790.db2.gz WYHRPDDRWYVJSZ-RLWLMLJZSA-N 0 0 445.559 5.399 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 ZINC000000869997 555574972 /nfs/dbraw/zinc/57/49/72/555574972.db2.gz RWPGUUJGDRLQDU-GDLZYMKVSA-N 0 0 432.523 6.487 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1 ZINC000000872436 555575537 /nfs/dbraw/zinc/57/55/37/555575537.db2.gz IGNKQYZXOGECOQ-XHCCPWGMSA-N 0 0 426.516 5.899 50 30 IKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)s1 ZINC000000883349 555578329 /nfs/dbraw/zinc/57/83/29/555578329.db2.gz PZWAYNKZLXUSCB-QUGAMOGWSA-N 0 0 430.573 6.299 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1OC ZINC000000883386 555578376 /nfs/dbraw/zinc/57/83/76/555578376.db2.gz BXJTUGWLCUHXTK-GDJIYFAZSA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000000883401 555578386 /nfs/dbraw/zinc/57/83/86/555578386.db2.gz RVKAPMSAJHNMDA-LMKMVOKYSA-N 0 0 432.545 5.745 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 ZINC000000970925 555591558 /nfs/dbraw/zinc/59/15/58/555591558.db2.gz CSZDKWFUAMZIAD-NSYGIPOTSA-N 0 0 434.461 6.685 50 30 IKEARN Oc1cc(O)c(/C=N/c2ccc3sc(-c4ccccc4)nc3c2)cc1Br ZINC000000974061 555592110 /nfs/dbraw/zinc/59/21/10/555592110.db2.gz HJILGPZMXYAJAD-SSDVNMTOSA-N 0 0 425.307 5.888 50 30 IKEARN Clc1ccc2[nH]c3c(c2c1)CCC/C3=N\N=C1/CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000977892 555592834 /nfs/dbraw/zinc/59/28/34/555592834.db2.gz ORICKPRFFDPIKK-VFIVCBTMSA-N 0 0 435.358 6.822 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000000986590 555595115 /nfs/dbraw/zinc/59/51/15/555595115.db2.gz ZTASUGYKTPNPGU-BCHFMIIMSA-N 0 0 442.584 6.305 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000000993758 555597672 /nfs/dbraw/zinc/59/76/72/555597672.db2.gz LMMGMZUBXLIXJQ-AREMUKBSSA-N 0 0 440.518 6.283 50 30 IKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 ZINC000000994450 555598028 /nfs/dbraw/zinc/59/80/28/555598028.db2.gz YXYXZFJSIGFFCZ-VWLOTQADSA-N 0 0 426.516 6.045 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001022101 555603699 /nfs/dbraw/zinc/60/36/99/555603699.db2.gz JMIPJZLQDGJHKC-CCLHPLFOSA-N 0 0 442.559 5.319 50 30 IKEARN Cc1[nH]nc(N=Cc2ccc(OCc3ccccc3)cc2)c1-c1cccc(Br)c1 ZINC000001030263 555605592 /nfs/dbraw/zinc/60/55/92/555605592.db2.gz QTOZMAVBNFKXQP-CVKSISIWSA-N 0 0 446.348 6.477 50 30 IKEARN FC(F)(F)c1cccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)c1 ZINC000001035794 555608070 /nfs/dbraw/zinc/60/80/70/555608070.db2.gz QYOGQHJBSMLSAT-BHGWPJFGSA-N 0 0 437.899 6.970 50 30 IKEARN Cc1cc(C)c2c(c1)occ(C1C3=C(CC(C)(C)CC3=O)OC3=C1C(=O)CC(C)(C)C3)c2=O ZINC000001042427 555610117 /nfs/dbraw/zinc/61/01/17/555610117.db2.gz JGHKBXSNRCIZRU-UHFFFAOYSA-N 0 0 446.543 5.810 50 30 IKEARN CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 ZINC000001066556 555618769 /nfs/dbraw/zinc/61/87/69/555618769.db2.gz TYMIGKASUDASBX-XHCCPWGMSA-N 0 0 425.532 5.848 50 30 IKEARN CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1 ZINC000001066558 555618797 /nfs/dbraw/zinc/61/87/97/555618797.db2.gz TYMIGKASUDASBX-PPHZAIPVSA-N 0 0 425.532 5.848 50 30 IKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1F ZINC000001074525 555623211 /nfs/dbraw/zinc/62/32/11/555623211.db2.gz XDKMKSMRMGPQFU-NSYGIPOTSA-N 0 0 449.522 5.148 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1OC ZINC000001097760 555628133 /nfs/dbraw/zinc/62/81/33/555628133.db2.gz ONWRRUVUXMKAKW-CRICUBBOSA-N 0 0 432.545 5.745 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001123525 555639012 /nfs/dbraw/zinc/63/90/12/555639012.db2.gz BHOVGMRNGZGRNQ-BCHFMIIMSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001123518 555639138 /nfs/dbraw/zinc/63/91/38/555639138.db2.gz BHOVGMRNGZGRNQ-AFMDSPMNSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1cccc(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3cccnc3)C3=C2CCCC3=O)c1 ZINC000001124485 555640009 /nfs/dbraw/zinc/64/00/09/555640009.db2.gz FSEAJXXMNHSWOK-DEOSSOPVSA-N 0 0 435.527 5.054 50 30 IKEARN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1OCc1ccccc1Cl ZINC000001126862 555641320 /nfs/dbraw/zinc/64/13/20/555641320.db2.gz OWEOKUOWFOPUEG-XMMPIXPASA-N 0 0 448.975 5.438 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000001129556 555643663 /nfs/dbraw/zinc/64/36/63/555643663.db2.gz DGPWEHMZLRGBKU-NRFANRHFSA-N 0 0 433.847 5.458 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1c(F)cccc1Cl ZINC000001130013 555643934 /nfs/dbraw/zinc/64/39/34/555643934.db2.gz CCPSBZYGMFJUEL-FATZIPQQSA-N 0 0 443.877 5.153 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1c(F)cccc1Cl ZINC000001130016 555643988 /nfs/dbraw/zinc/64/39/88/555643988.db2.gz CCPSBZYGMFJUEL-QKFKETGDSA-N 0 0 443.877 5.153 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000001130190 555644008 /nfs/dbraw/zinc/64/40/08/555644008.db2.gz YDGAXONAICYVCT-NRFANRHFSA-N 0 0 426.438 5.312 50 30 IKEARN Cc1ccc(C(=O)C2=C(N)N(c3cccnc3)C3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 ZINC000001130415 555644325 /nfs/dbraw/zinc/64/43/25/555644325.db2.gz RSQCHAOFARIGAM-HSZRJFAPSA-N 0 0 441.556 5.116 50 30 IKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001147915 555654683 /nfs/dbraw/zinc/65/46/83/555654683.db2.gz AWIYDOPOGWXPKE-NSYGIPOTSA-N 0 0 429.451 5.713 50 30 IKEARN O=C1CCCC2=C1C(c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)C1=C(CCCC1=O)O2 ZINC000001156874 555659318 /nfs/dbraw/zinc/65/93/18/555659318.db2.gz ZYLDEVSRPIGTEK-UHFFFAOYSA-N 0 0 445.471 5.302 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1cccc(Br)c1 ZINC000001171355 555666677 /nfs/dbraw/zinc/66/66/77/555666677.db2.gz YTQYBNLISSVMAD-HSZRJFAPSA-N 0 0 433.349 6.307 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000001175588 555669463 /nfs/dbraw/zinc/66/94/63/555669463.db2.gz PHUCGVPECAHFDE-OAQYLSRUSA-N 0 0 428.866 5.225 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001177194 555670305 /nfs/dbraw/zinc/67/03/05/555670305.db2.gz KRQRITBIGHTDQJ-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001183824 555673099 /nfs/dbraw/zinc/67/30/99/555673099.db2.gz DWULHNLCQUHIJD-QRQCRPRQSA-N 0 0 427.591 5.370 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001184785 555673354 /nfs/dbraw/zinc/67/33/54/555673354.db2.gz XXKWQIVCAMYFML-GAJHUEQPSA-N 0 0 439.552 5.448 50 30 IKEARN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001187429 555674900 /nfs/dbraw/zinc/67/49/00/555674900.db2.gz IXJOWDDYUDDZQR-YMVPSHTBSA-N 0 0 445.544 5.250 50 30 IKEARN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001187433 555674970 /nfs/dbraw/zinc/67/49/70/555674970.db2.gz IXJOWDDYUDDZQR-MCMRFMRISA-N 0 0 445.544 5.250 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000001199302 555677869 /nfs/dbraw/zinc/67/78/69/555677869.db2.gz MMIJTDNGKZNQHE-UZTOHYMASA-N 0 0 442.946 6.261 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001202506 555679063 /nfs/dbraw/zinc/67/90/63/555679063.db2.gz JEBIZTUAMZAJHH-QFQXNSOFSA-N 0 0 427.544 5.534 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000001202687 555679070 /nfs/dbraw/zinc/67/90/70/555679070.db2.gz LGJDTSPXJNLJLU-ZHRRBRCNSA-N 0 0 442.342 5.528 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001202517 555679106 /nfs/dbraw/zinc/67/91/06/555679106.db2.gz JEBIZTUAMZAJHH-LVXARBLLSA-N 0 0 427.544 5.534 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001202713 555679364 /nfs/dbraw/zinc/67/93/64/555679364.db2.gz BRXDEBWFHMZQRS-IBVKSMDESA-N 0 0 445.534 5.673 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc(Cl)cc1)N2 ZINC000001202882 555679423 /nfs/dbraw/zinc/67/94/23/555679423.db2.gz VYWNXLFAJOZAHZ-RUZDIDTESA-N 0 0 428.919 6.157 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001202716 555679442 /nfs/dbraw/zinc/67/94/42/555679442.db2.gz BRXDEBWFHMZQRS-RXFWQSSRSA-N 0 0 445.534 5.673 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000001204593 555680010 /nfs/dbraw/zinc/68/00/10/555680010.db2.gz OFFYFBDLLLMXKK-AOMKIAJQSA-N 0 0 425.887 5.014 50 30 IKEARN O=C(c1ccccc1)c1cc(Cl)ccc1NC=C1C(=O)CC(c2ccccc2)CC1=O ZINC000001207994 555681331 /nfs/dbraw/zinc/68/13/31/555681331.db2.gz BTSXZAFGVUOXIJ-UHFFFAOYSA-N 0 0 429.903 5.583 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Br)C2=C(CCCC2=O)N1 ZINC000001213393 555683110 /nfs/dbraw/zinc/68/31/10/555683110.db2.gz GMUGSLOUSBOHRG-OAQYLSRUSA-N 0 0 444.369 5.293 50 30 IKEARN COc1cc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000001215702 555683965 /nfs/dbraw/zinc/68/39/65/555683965.db2.gz ZCEACTMKSLSULO-PPHZAIPVSA-N 0 0 426.516 5.689 50 30 IKEARN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000001219215 555685053 /nfs/dbraw/zinc/68/50/53/555685053.db2.gz FRBKOIJENMRIFX-JOCHJYFZSA-N 0 0 432.907 5.189 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001219701 555685342 /nfs/dbraw/zinc/68/53/42/555685342.db2.gz WDLUUDAGFQCRQK-NRESZANFSA-N 0 0 445.902 5.531 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3cccs3)C12 ZINC000001283604 555689074 /nfs/dbraw/zinc/68/90/74/555689074.db2.gz LYLKXALWDMFGQR-SFHVURJKSA-N 0 0 428.970 5.307 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1 ZINC000001434668 555696431 /nfs/dbraw/zinc/69/64/31/555696431.db2.gz QGBBCDVTQWDVTP-QRQCRPRQSA-N 0 0 425.887 5.014 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccccc1Br ZINC000001440480 555697415 /nfs/dbraw/zinc/69/74/15/555697415.db2.gz JAYHHPYWRXRBIJ-HSZRJFAPSA-N 0 0 433.349 6.307 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccccc1Br ZINC000001440481 555697423 /nfs/dbraw/zinc/69/74/23/555697423.db2.gz JAYHHPYWRXRBIJ-QHCPKHFHSA-N 0 0 433.349 6.307 50 30 IKEARN CCOC(=O)c1c(NC2=CC(=O)C[C@H](c3ccc(OC)cc3)C2)sc2c1CCCC2 ZINC000001444536 555698420 /nfs/dbraw/zinc/69/84/20/555698420.db2.gz PEKCAGZINQHBCG-MRXNPFEDSA-N 0 0 425.550 5.255 50 30 IKEARN Cc1ccccc1-c1nc2cc(/N=C/c3cc4c(cc3Br)OCO4)ccc2o1 ZINC000001445267 555698767 /nfs/dbraw/zinc/69/87/67/555698767.db2.gz HYVIWFNKWSDMNG-BHGWPJFGSA-N 0 0 435.277 6.045 50 30 IKEARN Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 ZINC000001446274 555699101 /nfs/dbraw/zinc/69/91/01/555699101.db2.gz OEYYIIQKGKVDPR-UKILVPOCSA-N 0 0 441.512 5.694 50 30 IKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000001459244 555700287 /nfs/dbraw/zinc/70/02/87/555700287.db2.gz AWCFAQPUAJPTMI-UZTOHYMASA-N 0 0 427.523 5.871 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000001459780 555700508 /nfs/dbraw/zinc/70/05/08/555700508.db2.gz QKJLPLLSTSADJN-XMMPIXPASA-N 0 0 437.495 5.610 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000001459779 555700583 /nfs/dbraw/zinc/70/05/83/555700583.db2.gz QKJLPLLSTSADJN-DEOSSOPVSA-N 0 0 437.495 5.610 50 30 IKEARN COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 ZINC000001740142 555711463 /nfs/dbraw/zinc/71/14/63/555711463.db2.gz YIIGEADLQIYKRE-OVVQPSECSA-N 0 0 435.955 5.084 50 30 IKEARN N#Cc1c(SCC(=O)c2cc3ccccc3o2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000100233208 555722280 /nfs/dbraw/zinc/72/22/80/555722280.db2.gz VXFVTVJZTIWEBV-UYRXBGFRSA-N 0 0 438.430 7.034 50 30 IKEARN N#Cc1c(/N=C/c2cc(Br)ccc2O)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001885229 555722706 /nfs/dbraw/zinc/72/27/06/555722706.db2.gz DGXDMOMSKOTVMF-JFLMPSFJSA-N 0 0 443.300 6.704 50 30 IKEARN Cc1ccc(S(=O)(=O)N=C(SCc2ccccc2)SCc2ccccc2)cc1 ZINC000001896409 555723305 /nfs/dbraw/zinc/72/33/05/555723305.db2.gz KIXSGVGCNWFQHC-UHFFFAOYSA-N 0 0 427.616 5.907 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000002055152 555730357 /nfs/dbraw/zinc/73/03/57/555730357.db2.gz XUSXREMOXJOAHW-XMMPIXPASA-N 0 0 441.568 5.185 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 ZINC000002055156 555730382 /nfs/dbraw/zinc/73/03/82/555730382.db2.gz OJJOXPNKKIAKSJ-LJQANCHMSA-N 0 0 432.358 5.006 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000002057057 555731081 /nfs/dbraw/zinc/73/10/81/555731081.db2.gz UDSFBCNQXCPMGT-DEOSSOPVSA-N 0 0 446.547 6.407 50 30 IKEARN N#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060630 555731691 /nfs/dbraw/zinc/73/16/91/555731691.db2.gz KUJYAGWKVLBMSY-UHFFFAOYSA-N 0 0 441.600 5.527 50 30 biogenic IKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000002062864 555732484 /nfs/dbraw/zinc/73/24/84/555732484.db2.gz FHKIVRHVEDXIOA-UHFFFAOYSA-N 0 0 434.319 5.921 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002066168 555733341 /nfs/dbraw/zinc/73/33/41/555733341.db2.gz BGXNTKHLBHZYLC-HXUWFJFHSA-N 0 0 436.379 5.941 50 30 IKEARN CCCCN(CCCC)C1=C(C(=O)c2ccccc2)N(CC)S(=O)(=O)c2ccccc21 ZINC000002066485 555733715 /nfs/dbraw/zinc/73/37/15/555733715.db2.gz RKDBVJMQEAOXMX-UHFFFAOYSA-N 0 0 440.609 5.165 50 30 IKEARN O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000002068764 555733962 /nfs/dbraw/zinc/73/39/62/555733962.db2.gz IUZVZCXMSWUNFC-JAIQZWGSSA-N 0 0 427.308 6.542 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000002069356 555734233 /nfs/dbraw/zinc/73/42/33/555734233.db2.gz JOVBHZCZJRRXEQ-QHCPKHFHSA-N 0 0 441.568 5.041 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002073016 555735162 /nfs/dbraw/zinc/73/51/62/555735162.db2.gz NEUHYIQTLUDKOE-AOMKIAJQSA-N 0 0 441.980 5.716 50 30 IKEARN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCC#N)c2ccccc12 ZINC000002075369 555735748 /nfs/dbraw/zinc/73/57/48/555735748.db2.gz LJRGXNHXZMJEAK-UHFFFAOYSA-N 0 0 436.555 6.941 50 30 IKEARN CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC ZINC000002076488 555735957 /nfs/dbraw/zinc/73/59/57/555735957.db2.gz FXLCHAHQBTVRRJ-MZURAFEFSA-N 0 0 444.984 5.630 50 30 IKEARN Nc1ccccc1/N=C1/C=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C1=O ZINC000002077878 555736006 /nfs/dbraw/zinc/73/60/06/555736006.db2.gz KCWZGDITJUVXIB-BXVZCJGGSA-N 0 0 430.511 5.978 50 30 IKEARN O=C1C(=O)N(N(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1Cc1ccccc1 ZINC000002077883 555736043 /nfs/dbraw/zinc/73/60/43/555736043.db2.gz OLYUEWGUUXMOBK-UHFFFAOYSA-N 0 0 430.507 5.805 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccccc1CC ZINC000002081631 555738155 /nfs/dbraw/zinc/73/81/55/555738155.db2.gz VXHMWLUKQHOKRS-ZEHKLFRWSA-N 0 0 426.585 6.928 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccccc2OC)C(=O)N1c1ccccc1CC ZINC000002082267 555738651 /nfs/dbraw/zinc/73/86/51/555738651.db2.gz ZJXFXNJPTOKNLR-ZEHKLFRWSA-N 0 0 442.584 6.629 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000002092392 555741403 /nfs/dbraw/zinc/74/14/03/555741403.db2.gz WOWVYLDBBKOZML-LMTJQJACSA-N 0 0 444.556 6.129 50 30 IKEARN COc1ccc(/C=N/OC(=O)COc2cccc(Cl)c2)cc1COc1ccc(F)cc1 ZINC000002098284 555742353 /nfs/dbraw/zinc/74/23/53/555742353.db2.gz OWJKLMOYEVTDJW-LGJNPRDNSA-N 0 0 443.858 5.023 50 30 IKEARN CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000002104437 555742966 /nfs/dbraw/zinc/74/29/66/555742966.db2.gz YWTTXIPPIQOKRK-DHRITJCHSA-N 0 0 428.439 5.828 50 30 IKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)OC1=C2C(=O)c2ccccc21 ZINC000002139337 555747891 /nfs/dbraw/zinc/74/78/91/555747891.db2.gz JXAHPKGSADSYCK-QHCPKHFHSA-N 0 0 449.300 5.651 50 30 biogenic IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)c1ccccc1)[C@H]2c1ccccc1 ZINC000002151198 555749633 /nfs/dbraw/zinc/74/96/33/555749633.db2.gz UKNIOFICYOMGDJ-VWLOTQADSA-N 0 0 448.566 5.987 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 ZINC000002151321 555749701 /nfs/dbraw/zinc/74/97/01/555749701.db2.gz DGRQHEBQMCKXCC-RUZDIDTESA-N 0 0 434.539 5.659 50 30 IKEARN Cc1ccc(/N=C2/S/C(=C\c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 ZINC000002168231 555751436 /nfs/dbraw/zinc/75/14/36/555751436.db2.gz PAYRFYHAYXRJCI-IIZUOHISSA-N 0 0 439.540 5.680 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 ZINC000002173317 555752451 /nfs/dbraw/zinc/75/24/51/555752451.db2.gz RZODHAXXAPBNNY-PDGQHHTCSA-N 0 0 442.949 5.984 50 30 IKEARN C=CCc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc(OCC)c1O ZINC000002174505 555752463 /nfs/dbraw/zinc/75/24/63/555752463.db2.gz SNMGRZFHHGGUDW-UNOMPAQXSA-N 0 0 428.941 5.373 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000002183416 555754595 /nfs/dbraw/zinc/75/45/95/555754595.db2.gz BXAJRIBHNNEOQK-UHFFFAOYSA-N 0 0 442.650 6.397 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000002183483 555754641 /nfs/dbraw/zinc/75/46/41/555754641.db2.gz FYCUAADPEGICQK-UHFFFAOYSA-N 0 0 426.651 6.448 50 30 IKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002187588 555755535 /nfs/dbraw/zinc/75/55/35/555755535.db2.gz HVIFNIJXFXKMIU-UHFFFAOYSA-N 0 0 436.548 5.660 50 30 IKEARN CC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000002199711 555757208 /nfs/dbraw/zinc/75/72/08/555757208.db2.gz VBQVKXRTWMFEIQ-OAQYLSRUSA-N 0 0 443.981 5.481 50 30 IKEARN Fc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000002239317 555761212 /nfs/dbraw/zinc/76/12/12/555761212.db2.gz JSDFGTCPPGRDHW-IFRROFPPSA-N 0 0 446.132 5.324 50 30 IKEARN COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O ZINC000002257248 555763134 /nfs/dbraw/zinc/76/31/34/555763134.db2.gz XATOCZXWRYBSIQ-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@@H](C)CCC3 ZINC000002298463 555766619 /nfs/dbraw/zinc/76/66/19/555766619.db2.gz KRDBRXHSUNQNGH-KRWDZBQOSA-N 0 0 426.651 6.950 50 30 IKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Br)=Cc2ccccc2)cc1 ZINC000002320905 555768212 /nfs/dbraw/zinc/76/82/12/555768212.db2.gz TYPNHNNGNDVJIU-HCWGUIKXSA-N 0 0 441.398 5.801 50 30 IKEARN COc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000002506408 555784712 /nfs/dbraw/zinc/78/47/12/555784712.db2.gz MFQMBPDSNLOOMZ-CVKSISIWSA-N 0 0 445.523 5.008 50 30 IKEARN Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)cc1 ZINC000002542928 555786772 /nfs/dbraw/zinc/78/67/72/555786772.db2.gz TZUCEZLTSYQAKJ-WPWMEQJKSA-N 0 0 445.588 5.498 50 30 IKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 ZINC000002573750 555788213 /nfs/dbraw/zinc/78/82/13/555788213.db2.gz HAAUAOQFPSNHAJ-LJQANCHMSA-N 0 0 442.968 5.054 50 30 IKEARN COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000002578279 555788577 /nfs/dbraw/zinc/78/85/77/555788577.db2.gz SJGXMTJLBAXGIP-ZVHZXABRSA-N 0 0 425.941 5.248 50 30 IKEARN C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667497 555791748 /nfs/dbraw/zinc/79/17/48/555791748.db2.gz YPWTUUKWFBFQLO-CCLHPLFOSA-N 0 0 444.550 5.043 50 30 IKEARN CCCCCCCCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002753079 555810593 /nfs/dbraw/zinc/81/05/93/555810593.db2.gz XBNQFXDAVXSIQJ-UHFFFAOYSA-N 0 0 432.564 6.501 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000002755324 555810886 /nfs/dbraw/zinc/81/08/86/555810886.db2.gz NDYYYUREJCRBGO-AREMUKBSSA-N 0 0 427.544 5.807 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000002757846 555811555 /nfs/dbraw/zinc/81/15/55/555811555.db2.gz RWXTWGDPYNQHNG-OFVILXPXSA-N 0 0 447.600 5.345 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000002762198 555813130 /nfs/dbraw/zinc/81/31/30/555813130.db2.gz SXMZLGGLKKFOMY-KSFYIVLOSA-N 0 0 425.525 5.202 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000002762221 555813154 /nfs/dbraw/zinc/81/31/54/555813154.db2.gz GQGIMMCFOKBJSU-QRQCRPRQSA-N 0 0 425.525 5.202 50 30 IKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OCCO ZINC000002773364 555816419 /nfs/dbraw/zinc/81/64/19/555816419.db2.gz PQDRYJRFUAPZNV-HHHXNRCGSA-N 0 0 429.516 5.283 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002784245 555820091 /nfs/dbraw/zinc/82/00/91/555820091.db2.gz YNMSAXPRGZAOGJ-YADARESESA-N 0 0 435.951 5.655 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000002784246 555820186 /nfs/dbraw/zinc/82/01/86/555820186.db2.gz YNMSAXPRGZAOGJ-DVECYGJZSA-N 0 0 435.951 5.655 50 30 IKEARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000034707185 555821875 /nfs/dbraw/zinc/82/18/75/555821875.db2.gz ZDYOQYKUGJUPFX-YYFQYTQESA-N 0 0 431.919 5.055 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002796112 555822183 /nfs/dbraw/zinc/82/21/83/555822183.db2.gz ZMINNEZOMLJMAP-QFIPXVFZSA-N 0 0 427.972 5.820 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 ZINC000002795941 555822220 /nfs/dbraw/zinc/82/22/20/555822220.db2.gz NQHKQGZIBRBZBL-FQEVSTJZSA-N 0 0 446.385 5.396 50 30 IKEARN Cc1ccc2c(c1)/C(=C1/S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C1=O)C(=O)N2 ZINC000002807282 555826654 /nfs/dbraw/zinc/82/66/54/555826654.db2.gz PGTGMJXKKDIUMY-YZYICMKNSA-N 0 0 439.540 5.743 50 30 IKEARN COc1cccc(/C=C2\N=C(SCc3ccccc3)SC2=O)c1OCc1ccccc1 ZINC000002822389 555830045 /nfs/dbraw/zinc/83/00/45/555830045.db2.gz LLJSAXOVIAHFHT-QNGOZBTKSA-N 0 0 447.581 6.178 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccco2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000002844405 555836938 /nfs/dbraw/zinc/83/69/38/555836938.db2.gz YVXMMMIGPJJACV-HFJWLAOPSA-N 0 0 449.522 5.656 50 30 IKEARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000002861941 555845104 /nfs/dbraw/zinc/84/51/04/555845104.db2.gz ZUCGBBVKTIUPGD-RUZDIDTESA-N 0 0 448.519 5.266 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000002865485 555847051 /nfs/dbraw/zinc/84/70/51/555847051.db2.gz NBBHMJXMRLARDM-HRAATJIYSA-N 0 0 439.342 6.363 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000002865484 555847071 /nfs/dbraw/zinc/84/70/71/555847071.db2.gz NBBHMJXMRLARDM-KKSFZXQISA-N 0 0 439.342 6.363 50 30 IKEARN O=C(C=CNc1ccc(Oc2ccc(NC=CC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F ZINC000002875023 555851752 /nfs/dbraw/zinc/85/17/52/555851752.db2.gz WCMMLZJYHFELTI-WGDLNXRISA-N 0 0 444.331 5.593 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000002902438 555861019 /nfs/dbraw/zinc/86/10/19/555861019.db2.gz QHQHLTCPWHOYGY-FYJGNVAPSA-N 0 0 445.496 5.112 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCC#N ZINC000002912774 555862342 /nfs/dbraw/zinc/86/23/42/555862342.db2.gz ITBXDBVCFSZDFC-HHHXNRCGSA-N 0 0 438.527 6.060 50 30 IKEARN O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000002991719 555875205 /nfs/dbraw/zinc/87/52/05/555875205.db2.gz FBUKWIFOOWKFBS-UHFFFAOYSA-N 0 0 440.271 5.145 50 30 IKEARN O/N=C/c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000002999297 555877291 /nfs/dbraw/zinc/87/72/91/555877291.db2.gz PDHPYWNJTHUSSJ-LHSRNITLSA-N 0 0 429.303 5.349 50 30 IKEARN N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000034734301 555878775 /nfs/dbraw/zinc/87/87/75/555878775.db2.gz AHXRKGSAVUDMDI-UHFFFAOYSA-N 0 0 444.922 5.296 50 30 IKEARN CCCCCCCC(=O)N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl ZINC000003065900 555884540 /nfs/dbraw/zinc/88/45/40/555884540.db2.gz XVDBULGDXDEIJG-HNNXBMFYSA-N 0 0 439.861 6.561 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC ZINC000003094440 555885747 /nfs/dbraw/zinc/88/57/47/555885747.db2.gz NLLFPOVFGPSXNB-JOCHJYFZSA-N 0 0 441.568 5.041 50 30 IKEARN O=C(ON=C(c1cccs1)c1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003127692 555889978 /nfs/dbraw/zinc/88/99/78/555889978.db2.gz OQODXEQUYOGKCC-UHFFFAOYSA-N 0 0 449.397 6.457 50 30 IKEARN CCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003137965 555891148 /nfs/dbraw/zinc/89/11/48/555891148.db2.gz LYMOYQUXYKGBLT-UHFFFAOYSA-N 0 0 426.425 5.232 50 30 IKEARN Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(Cl)cc2)cc1 ZINC000003157720 555892696 /nfs/dbraw/zinc/89/26/96/555892696.db2.gz ZIDXTXSTXUAQOB-UHFFFAOYSA-N 0 0 432.950 7.753 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000003216108 555899556 /nfs/dbraw/zinc/89/95/56/555899556.db2.gz BQQHJYDVOZTUBE-UHFFFAOYSA-N 0 0 441.955 6.438 50 30 IKEARN N#CCCn1cc(C(=O)N(c2ccccc2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000003356883 555926653 /nfs/dbraw/zinc/92/66/53/555926653.db2.gz NBFQKKHTWKVASG-UHFFFAOYSA-N 0 0 437.459 5.350 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 ZINC000003639487 555943023 /nfs/dbraw/zinc/94/30/23/555943023.db2.gz AISMWPYDQOWCRL-VOIUYBSRSA-N 0 0 437.561 5.072 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)cc1 ZINC000003639564 555943060 /nfs/dbraw/zinc/94/30/60/555943060.db2.gz XGTVBDHKQSNKBC-AVRWGWEMSA-N 0 0 449.522 5.149 50 30 IKEARN Cc1ccc(C(=O)C2=C3Sc4ccccc4N3C[C@H](C(=O)c3ccc(C)cc3)C2)cc1 ZINC000003648540 555943889 /nfs/dbraw/zinc/94/38/89/555943889.db2.gz WNIMNXOYTCWXFQ-OAQYLSRUSA-N 0 0 425.553 6.213 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C ZINC000003667442 555945232 /nfs/dbraw/zinc/94/52/32/555945232.db2.gz SYKIJTGLLQMAQW-HXNPFYCNSA-N 0 0 444.556 6.291 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004043965 555955170 /nfs/dbraw/zinc/95/51/70/555955170.db2.gz CDZJJLMRMQTLMI-RUZDIDTESA-N 0 0 436.596 5.377 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004044001 555955255 /nfs/dbraw/zinc/95/52/55/555955255.db2.gz LPRZIIKGLMNTQR-QFQXNSOFSA-N 0 0 444.575 5.067 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004047866 555955466 /nfs/dbraw/zinc/95/54/66/555955466.db2.gz UXBLMKHKNIFXDS-PPHZAIPVSA-N 0 0 443.978 6.386 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004047868 555955508 /nfs/dbraw/zinc/95/55/08/555955508.db2.gz UXBLMKHKNIFXDS-WINIVTDRSA-N 0 0 443.978 6.386 50 30 IKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)nc1 ZINC000004048028 555955586 /nfs/dbraw/zinc/95/55/86/555955586.db2.gz SRKMMBAFNGJPOB-PGGKNCGUSA-N 0 0 435.242 5.461 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004059642 555956256 /nfs/dbraw/zinc/95/62/56/555956256.db2.gz DZUNJFLGANAYID-RUZDIDTESA-N 0 0 445.559 5.433 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004061681 555956858 /nfs/dbraw/zinc/95/68/58/555956858.db2.gz SEXTWCBGUMZWDP-XMMPIXPASA-N 0 0 437.580 5.565 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 ZINC000004064686 555957140 /nfs/dbraw/zinc/95/71/40/555957140.db2.gz GTAYUCKXHAMCRM-WVXBCFDCSA-N 0 0 446.550 6.828 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000004065032 555957422 /nfs/dbraw/zinc/95/74/22/555957422.db2.gz PUBGMKLSHJCVGM-XRHLQHRESA-N 0 0 442.515 5.389 50 30 IKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000004065118 555957475 /nfs/dbraw/zinc/95/74/75/555957475.db2.gz HFWYMXXBUFGSLR-PPHZAIPVSA-N 0 0 444.962 6.718 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000004067209 555957774 /nfs/dbraw/zinc/95/77/74/555957774.db2.gz AVJGPYYMGUTUTI-SANMLTNESA-N 0 0 445.559 5.229 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004067282 555957835 /nfs/dbraw/zinc/95/78/35/555957835.db2.gz OUFAUOJWDOVOML-RUZDIDTESA-N 0 0 445.559 5.221 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000004078005 555958358 /nfs/dbraw/zinc/95/83/58/555958358.db2.gz NNEXSNHINRWDGU-LMKMVOKYSA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000004078870 555958534 /nfs/dbraw/zinc/95/85/34/555958534.db2.gz LBSCKXDYZKHMGB-QUGAMOGWSA-N 0 0 444.918 6.048 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 ZINC000004080043 555958867 /nfs/dbraw/zinc/95/88/67/555958867.db2.gz IENZLPCPVYGBNZ-LMKMVOKYSA-N 0 0 435.354 6.973 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(OC(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004081160 555958900 /nfs/dbraw/zinc/95/89/00/555958900.db2.gz WWIXZOWECVWWJU-JOCHJYFZSA-N 0 0 430.470 6.424 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000004082011 555958949 /nfs/dbraw/zinc/95/89/49/555958949.db2.gz GUPPYNAVRNACFU-NSYGIPOTSA-N 0 0 435.354 6.973 50 30 IKEARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000004098965 555962184 /nfs/dbraw/zinc/96/21/84/555962184.db2.gz QQODLKZGRKWIFG-ZAAXVRCTSA-N 0 0 434.294 6.317 50 30 in-man IKEARN COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000004178648 555974187 /nfs/dbraw/zinc/97/41/87/555974187.db2.gz KYSUVDCHKJDXNG-ZVHZXABRSA-N 0 0 439.309 5.226 50 30 IKEARN S=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)NC1CCCCC1 ZINC000004209985 555976445 /nfs/dbraw/zinc/97/64/45/555976445.db2.gz PTBOWZYEXAQCOP-OEAKJJBVSA-N 0 0 446.414 5.159 50 30 IKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000004417962 555993917 /nfs/dbraw/zinc/99/39/17/555993917.db2.gz INFUVSOZCYBBND-VWLOTQADSA-N 0 0 437.580 5.709 50 30 IKEARN COc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000004552157 556000846 /nfs/dbraw/zinc/00/08/46/556000846.db2.gz BEPYDKGHSWSSOC-SDNWHVSQSA-N 0 0 426.428 5.008 50 30 IKEARN CCN(CC)c1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794637 556012093 /nfs/dbraw/zinc/01/20/93/556012093.db2.gz SLOZAVCBNVVGHZ-RUZDIDTESA-N 0 0 434.580 5.751 50 30 IKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OC ZINC000006089736 556076233 /nfs/dbraw/zinc/07/62/33/556076233.db2.gz UYDAAXFSHMLTJY-WGDIFIGCSA-N 0 0 446.572 6.135 50 30 IKEARN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000006177783 556079569 /nfs/dbraw/zinc/07/95/69/556079569.db2.gz CHMMRYNERNPVPI-WSDLNYQXSA-N 0 0 432.159 6.370 50 30 IKEARN CCSC1=N/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)S1 ZINC000006271258 556083233 /nfs/dbraw/zinc/08/32/33/556083233.db2.gz RFEPLNLXGVKRFF-WJDWOHSUSA-N 0 0 434.380 5.752 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000006378665 556085930 /nfs/dbraw/zinc/08/59/30/556085930.db2.gz XYZRQGMWCWQDSS-ZHZULCJRSA-N 0 0 446.484 5.292 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 ZINC000006407941 556087002 /nfs/dbraw/zinc/08/70/02/556087002.db2.gz GFBWHKMHZFPNDT-QRQCRPRQSA-N 0 0 427.591 5.431 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)c1 ZINC000006442926 556087579 /nfs/dbraw/zinc/08/75/79/556087579.db2.gz DBKOVHVHAYCADO-DEOSSOPVSA-N 0 0 430.548 5.246 50 30 IKEARN Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006459951 556089637 /nfs/dbraw/zinc/08/96/37/556089637.db2.gz YKPAGHFWHBMDOY-VLSFKVKESA-N 0 0 429.903 5.831 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1 ZINC000006498941 556091625 /nfs/dbraw/zinc/09/16/25/556091625.db2.gz VKWBHSAKGOIDEP-DWXRJYCRSA-N 0 0 428.488 5.209 50 30 IKEARN COc1ccc(-c2oc(/N=C/c3ccccc3Cl)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000007060085 556114104 /nfs/dbraw/zinc/11/41/04/556114104.db2.gz PPWOYGMSDNJJIG-MUFRIFMGSA-N 0 0 442.902 6.906 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2 ZINC000002744107 556136411 /nfs/dbraw/zinc/13/64/11/556136411.db2.gz NYXOCHVERNNHLF-DHRITJCHSA-N 0 0 429.372 6.937 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002889468 556147469 /nfs/dbraw/zinc/14/74/69/556147469.db2.gz JAUIPVXDVZRUEM-CQSZACIVSA-N 0 0 438.618 5.361 50 30 IKEARN O=c1c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2ncn1/N=C/c1cccs1 ZINC000008382951 556158917 /nfs/dbraw/zinc/15/89/17/556158917.db2.gz OYGWISIQDFMKCR-RWPZCVJISA-N 0 0 448.507 5.815 50 30 IKEARN CCCCCC(=O)/C=C/[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@H]12 ZINC000008385687 556161451 /nfs/dbraw/zinc/16/14/51/556161451.db2.gz KVAPQSSLLZXBHI-LMXHIZBGSA-N 0 0 446.543 5.536 50 30 IKEARN O=C1C/C(=N\N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21 ZINC000008385422 556161516 /nfs/dbraw/zinc/16/15/16/556161516.db2.gz PGUFQQJWSLCLJN-JQSWZAHZSA-N 0 0 429.932 5.751 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000008386260 556161838 /nfs/dbraw/zinc/16/18/38/556161838.db2.gz NTAYZZVHWJFUFS-UHFFFAOYSA-N 0 0 426.557 6.257 50 30 IKEARN CCOC(=O)c1c(/N=C/c2ccccc2O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000008386538 556162115 /nfs/dbraw/zinc/16/21/15/556162115.db2.gz FEHPCASFCOIWHD-JFLMPSFJSA-N 0 0 445.540 6.518 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(O)ccc2ccccc21 ZINC000008386506 556162152 /nfs/dbraw/zinc/16/21/52/556162152.db2.gz HHKCIZKVWZREIN-ZMPCKTLKSA-N 0 0 433.558 5.539 50 30 IKEARN COc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O ZINC000008396850 556163846 /nfs/dbraw/zinc/16/38/46/556163846.db2.gz HVOVCVCXCXFKMY-MKFXEVHTSA-N 0 0 435.303 5.642 50 30 IKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000008396796 556163887 /nfs/dbraw/zinc/16/38/87/556163887.db2.gz AZSQKYMBAGGFGD-SANMLTNESA-N 0 0 445.559 5.577 50 30 IKEARN c1ccc(/N=C2C(=N\c3ccccc3)\S/C(=N\C3CCCCC3)N\2C2CCCCC2)cc1 ZINC000008399107 556165073 /nfs/dbraw/zinc/16/50/73/556165073.db2.gz TXPDBMSODBCQAQ-KMQPISCYSA-N 0 0 444.648 7.517 50 30 IKEARN CCOC(=O)CN1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 ZINC000008399321 556165370 /nfs/dbraw/zinc/16/53/70/556165370.db2.gz FVUYCJKZSKFUJQ-AORWUECESA-N 0 0 442.544 5.117 50 30 IKEARN COc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1OC(C)C ZINC000008399696 556165577 /nfs/dbraw/zinc/16/55/77/556165577.db2.gz UCQHXBRMZRORQK-KEBDBYFISA-N 0 0 444.700 5.186 50 30 IKEARN CCOc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000008399865 556165600 /nfs/dbraw/zinc/16/56/00/556165600.db2.gz FZFSZHXVPDKCMF-ZBISPMLPSA-N 0 0 445.566 7.192 50 30 IKEARN Cc1cc(C=[NH+][N-]c2cccc3cccnc32)cc(C=NNc2cccc3cccnc32)c1O ZINC000008400275 556165839 /nfs/dbraw/zinc/16/58/39/556165839.db2.gz CAJKUNQVRKQFLC-RVSCTIAXSA-N 0 0 446.514 5.689 50 30 IKEARN COc1ccc(OCC(=O)Nc2ccc(C(=O)/C=C/c3ccc(SC)cc3)cc2)cc1 ZINC000008417735 556167692 /nfs/dbraw/zinc/16/76/92/556167692.db2.gz WKYOUHBZULHIMX-FZSIALSZSA-N 0 0 433.529 5.331 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000008430522 556170440 /nfs/dbraw/zinc/17/04/40/556170440.db2.gz PNGNWPJWZXHUKW-JCQPUDPBSA-N 0 0 441.383 7.034 50 30 IKEARN O=C(/C=C/c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 ZINC000008430760 556170442 /nfs/dbraw/zinc/17/04/42/556170442.db2.gz LVUSTTLJPLEOCA-VIOKTNGOSA-N 0 0 428.557 5.023 50 30 IKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1C1CCCCC1)CCCC3 ZINC000008431510 556171069 /nfs/dbraw/zinc/17/10/69/556171069.db2.gz NNIKZWXCCWWWAT-AFUMVMLFSA-N 0 0 441.000 5.941 50 30 IKEARN COc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1Cl ZINC000008434829 556172714 /nfs/dbraw/zinc/17/27/14/556172714.db2.gz URWRZNMVWVLYGW-ODLFYWEKSA-N 0 0 445.327 6.154 50 30 IKEARN O=[N+]([O-])c1cccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Cl)ccc2O)c1 ZINC000008437364 556173651 /nfs/dbraw/zinc/17/36/51/556173651.db2.gz QYSXCIYVRRBUSS-FBCBFZTJSA-N 0 0 445.866 5.450 50 30 IKEARN CCOc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008439500 556175799 /nfs/dbraw/zinc/17/57/99/556175799.db2.gz FDTIDYNSCPMNCV-VWLOTQADSA-N 0 0 445.559 5.433 50 30 IKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000008440806 556176546 /nfs/dbraw/zinc/17/65/46/556176546.db2.gz POSXQJOKESEPML-QFIPXVFZSA-N 0 0 435.476 5.138 50 30 IKEARN COc1cc(/C=C2\CC/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C ZINC000008444324 556179033 /nfs/dbraw/zinc/17/90/33/556179033.db2.gz BPFXIWBXTKYKNV-JFMUQQRKSA-N 0 0 436.548 6.108 50 30 IKEARN N=C(N/N=C1/c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccccc1Cl ZINC000008446365 556180192 /nfs/dbraw/zinc/18/01/92/556180192.db2.gz KLMQZKAIVVHJGY-QLYXXIJNSA-N 0 0 434.952 5.049 50 30 IKEARN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N/c1ccccc1 ZINC000008451931 556182383 /nfs/dbraw/zinc/18/23/83/556182383.db2.gz DVEURUIBUFCIJC-VCICBFQVSA-N 0 0 425.513 5.371 50 30 IKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(I)cc1 ZINC000008452340 556182803 /nfs/dbraw/zinc/18/28/03/556182803.db2.gz KVWVPCKZFPRETN-UHFFFAOYSA-N 0 0 429.386 6.931 50 30 IKEARN CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000008452573 556183106 /nfs/dbraw/zinc/18/31/06/556183106.db2.gz PAJLDDXCQWORLE-GCXIQGEKSA-N 0 0 434.948 6.153 50 30 IKEARN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4cccc(C)c4)cc3)n2)cc1 ZINC000008454089 556184742 /nfs/dbraw/zinc/18/47/42/556184742.db2.gz KFEZUKLYFFFVLZ-CVKSISIWSA-N 0 0 427.529 6.092 50 30 IKEARN CCCCCCCCCCCCCCCCNc1c2ccccc2nc2c1C(=O)CCC2 ZINC000008453875 556184786 /nfs/dbraw/zinc/18/47/86/556184786.db2.gz COXXMAXAHUIFES-UHFFFAOYSA-N 0 0 436.684 8.647 50 30 IKEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1cnn(-c2cc(C(F)(F)F)cc(C)n2)c1C ZINC000008616729 556192961 /nfs/dbraw/zinc/19/29/61/556192961.db2.gz ZXUFQOPELAPDPR-KKMKTNMSSA-N 0 0 436.821 5.137 50 30 IKEARN C/C(=N\OCc1cccc(C(=O)N=[S@](C)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000008648473 556196223 /nfs/dbraw/zinc/19/62/23/556196223.db2.gz JTBBXGSNDACVEM-CNRUIPLNSA-N 0 0 440.952 5.578 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2/C=C/c1ccccc1 ZINC000008721446 556203002 /nfs/dbraw/zinc/20/30/02/556203002.db2.gz MEBYLSQVZSCHEG-QHLVILHISA-N 0 0 448.566 6.484 50 30 IKEARN COc1ccc(C(=O)/C=C\c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000008733356 556204355 /nfs/dbraw/zinc/20/43/55/556204355.db2.gz YCYQULDYTBVOSU-AUWJEWJLSA-N 0 0 436.529 5.284 50 30 IKEARN CC(C)Oc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000008738515 556205011 /nfs/dbraw/zinc/20/50/11/556205011.db2.gz VDECFKOXCHAWHV-HKOYGPOVSA-N 0 0 439.555 7.336 50 30 IKEARN Cc1cccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000008741899 556207377 /nfs/dbraw/zinc/20/73/77/556207377.db2.gz ZRCJIXRZXOCBDR-VQAHOFKPSA-N 0 0 429.545 5.468 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000008742244 556207457 /nfs/dbraw/zinc/20/74/57/556207457.db2.gz UAMHNFUXDDMCPH-KCWPFWIISA-N 0 0 443.587 5.810 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)sc2c1 ZINC000008743731 556208046 /nfs/dbraw/zinc/20/80/46/556208046.db2.gz LDHOXZFJHVNDOU-FQEVSTJZSA-N 0 0 446.553 5.703 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008743750 556208086 /nfs/dbraw/zinc/20/80/86/556208086.db2.gz BYVTVBKHZVAONA-BFFNPARHSA-N 0 0 429.903 5.831 50 30 IKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008743985 556208440 /nfs/dbraw/zinc/20/84/40/556208440.db2.gz ALZYLWKJWLFBPC-JOCHJYFZSA-N 0 0 446.503 5.072 50 30 IKEARN Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000008781897 556214958 /nfs/dbraw/zinc/21/49/58/556214958.db2.gz ZQWBOKJVVYNKTL-AUEPDCJTSA-N 0 0 436.751 6.574 50 30 in-vitro IKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O ZINC000008782687 556215012 /nfs/dbraw/zinc/21/50/12/556215012.db2.gz ILJZTQJFNMSQKP-PSYZWBJOSA-N 0 0 432.501 5.218 50 30 biogenic,in-vitro IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008827584 556224570 /nfs/dbraw/zinc/22/45/70/556224570.db2.gz ZYABHEFXDHFXBQ-HSZRJFAPSA-N 0 0 446.503 5.206 50 30 IKEARN COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000008861060 556228297 /nfs/dbraw/zinc/22/82/97/556228297.db2.gz FWERGIIKWSLXRL-OVVQPSECSA-N 0 0 442.540 5.350 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008913921 556231599 /nfs/dbraw/zinc/23/15/99/556231599.db2.gz PXAXTOAIXMWOIW-IBGZPJMESA-N 0 0 438.936 5.703 50 30 IKEARN CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1 ZINC000008974625 556237926 /nfs/dbraw/zinc/23/79/26/556237926.db2.gz RKAPRONBLMDNBI-HMILPKGGSA-N 0 0 440.543 6.073 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009007668 556240248 /nfs/dbraw/zinc/24/02/48/556240248.db2.gz GHSDRJJBTNDFKZ-HSZRJFAPSA-N 0 0 446.934 5.637 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000009008808 556240587 /nfs/dbraw/zinc/24/05/87/556240587.db2.gz WHRHZLHXXNQFAM-FQEVSTJZSA-N 0 0 439.298 5.167 50 30 IKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000009041914 556241931 /nfs/dbraw/zinc/24/19/31/556241931.db2.gz SDWFGQVANVRFCC-SANMLTNESA-N 0 0 432.564 5.884 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009065286 556244520 /nfs/dbraw/zinc/24/45/20/556244520.db2.gz REPOGVPKXXNEMH-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 ZINC000009066252 556244856 /nfs/dbraw/zinc/24/48/56/556244856.db2.gz ROZACWHXJRDJAS-LJQANCHMSA-N 0 0 448.525 5.149 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000009067904 556244912 /nfs/dbraw/zinc/24/49/12/556244912.db2.gz CCIVEXPTYGLIBW-AREMUKBSSA-N 0 0 432.564 6.116 50 30 biogenic IKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009087961 556245846 /nfs/dbraw/zinc/24/58/46/556245846.db2.gz QEEOHGYJWWLBED-OAQYLSRUSA-N 0 0 448.862 5.027 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009109153 556247369 /nfs/dbraw/zinc/24/73/69/556247369.db2.gz KDWXDVAGMJZEAF-NRFANRHFSA-N 0 0 448.316 5.540 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000009113203 556247741 /nfs/dbraw/zinc/24/77/41/556247741.db2.gz RYVDBLNLUOGLOD-QRQCRPRQSA-N 0 0 427.887 5.628 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000009184952 556250497 /nfs/dbraw/zinc/25/04/97/556250497.db2.gz FVKHOZHJJZLNMD-FQEVSTJZSA-N 0 0 434.289 5.232 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009236054 556263902 /nfs/dbraw/zinc/26/39/02/556263902.db2.gz YKQAWPGEECCHEK-HSZRJFAPSA-N 0 0 426.516 5.158 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 ZINC000009246827 556267113 /nfs/dbraw/zinc/26/71/13/556267113.db2.gz PYYUUKYQCKCTOA-QLXKLKPCSA-N 0 0 432.926 6.767 50 30 IKEARN N#Cc1ccccc1COc1ccccc1/C=C1/S/C(=N\c2ccc(F)cc2)NC1=O ZINC000009261317 556269257 /nfs/dbraw/zinc/26/92/57/556269257.db2.gz UKKFGOBBEURFNA-LPYMAVHISA-N 0 0 429.476 5.168 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000009271671 556271069 /nfs/dbraw/zinc/27/10/69/556271069.db2.gz UYZHUUDARHVZRK-FQEVSTJZSA-N 0 0 442.353 5.608 50 30 IKEARN O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000009272139 556271083 /nfs/dbraw/zinc/27/10/83/556271083.db2.gz JPORGMDGWOQHJJ-ZDUSSCGKSA-N 0 0 430.154 5.218 50 30 IKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009273838 556271664 /nfs/dbraw/zinc/27/16/64/556271664.db2.gz CIGXJOQQVYILDJ-XMMPIXPASA-N 0 0 443.499 5.012 50 30 IKEARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000009288231 556272424 /nfs/dbraw/zinc/27/24/24/556272424.db2.gz MFAQQGXZODPUMT-QHCPKHFHSA-N 0 0 446.576 5.015 50 30 IKEARN CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000009288227 556272569 /nfs/dbraw/zinc/27/25/69/556272569.db2.gz MFAQQGXZODPUMT-HSZRJFAPSA-N 0 0 446.576 5.015 50 30 IKEARN O=C1c2ccccc2C2=C1C(c1cc3c(cc1[N+](=O)[O-])OCO3)Sc1ccccc1N2 ZINC000009291136 556273975 /nfs/dbraw/zinc/27/39/75/556273975.db2.gz ZCHQGVZQXKGEJO-HSZRJFAPSA-N 0 0 430.441 5.190 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009363608 556285727 /nfs/dbraw/zinc/28/57/27/556285727.db2.gz YPIBYYRTHJTVPV-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN O=C(/C=C/c1ccccc1F)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000009367622 556285857 /nfs/dbraw/zinc/28/58/57/556285857.db2.gz GRBYMNOBSAWKHU-JLHYYAGUSA-N 0 0 448.291 5.993 50 30 IKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 ZINC000009374792 556286770 /nfs/dbraw/zinc/28/67/70/556286770.db2.gz PYQIFMUZXFIOCF-DEOSSOPVSA-N 0 0 442.515 5.039 50 30 IKEARN CCOc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000013715248 556286789 /nfs/dbraw/zinc/28/67/89/556286789.db2.gz PUPQVMXQMVSIDH-NTCAYCPXSA-N 0 0 429.903 6.143 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009379705 556286811 /nfs/dbraw/zinc/28/68/11/556286811.db2.gz XXDZLOJRLNTJLA-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000009425470 556289918 /nfs/dbraw/zinc/28/99/18/556289918.db2.gz AYULRTWIOPWGOF-HZHRSRAPSA-N 0 0 443.366 5.020 50 30 IKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000009459740 556293181 /nfs/dbraw/zinc/29/31/81/556293181.db2.gz IVLPLGXVTUYFOW-MNNSJKJDSA-N 0 0 438.571 6.479 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccccc1)[C@H]2c1ccco1 ZINC000009482721 556294266 /nfs/dbraw/zinc/29/42/66/556294266.db2.gz SJQMLGSBLWFRMB-SANMLTNESA-N 0 0 442.515 5.502 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)Nc3ccccc3)[C@H]2c2ccccc2)C1 ZINC000009482798 556294284 /nfs/dbraw/zinc/29/42/84/556294284.db2.gz XTWVDJOJCIAWDK-DEOSSOPVSA-N 0 0 438.531 5.930 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000009546496 556297370 /nfs/dbraw/zinc/29/73/70/556297370.db2.gz BZZXKWMOGQKOBW-WNSKOXEYSA-N 0 0 431.948 6.167 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000009546458 556297390 /nfs/dbraw/zinc/29/73/90/556297390.db2.gz YCESPSWTHZCRKN-RUZDIDTESA-N 0 0 447.534 6.417 50 30 IKEARN O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000009559934 556298878 /nfs/dbraw/zinc/29/88/78/556298878.db2.gz JUEYCOQFLNHMEV-AUSIDOKSSA-N 0 0 427.475 5.622 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000013750675 556299044 /nfs/dbraw/zinc/29/90/44/556299044.db2.gz RGFJLHSGFCIJKQ-MNWLEOAJSA-N 0 0 439.581 5.037 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)c1 ZINC000009559996 556299113 /nfs/dbraw/zinc/29/91/13/556299113.db2.gz DQMUKBLCFGBICH-XJKSGUPXSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000009560023 556299193 /nfs/dbraw/zinc/29/91/93/556299193.db2.gz XNQSIZHVUSNFFG-UKRRQHHQSA-N 0 0 446.330 5.015 50 30 IKEARN O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560066 556299503 /nfs/dbraw/zinc/29/95/03/556299503.db2.gz LWURXLAWGAYRRJ-XMSQKQJNSA-N 0 0 443.930 6.137 50 30 IKEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1OC ZINC000013756863 556300747 /nfs/dbraw/zinc/30/07/47/556300747.db2.gz ZENGVGADLOCHNE-RWPZCVJISA-N 0 0 432.911 5.804 50 30 IKEARN C=CCn1c(C)c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc21 ZINC000009721138 556307543 /nfs/dbraw/zinc/30/75/43/556307543.db2.gz DDVJBTBRYMYXOR-PFMNSIPKSA-N 0 0 431.561 5.386 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 ZINC000009851594 556314249 /nfs/dbraw/zinc/31/42/49/556314249.db2.gz PRYOEAHVBRFDGW-BJUXRVGASA-N 0 0 434.348 5.140 50 30 IKEARN CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861353 556314980 /nfs/dbraw/zinc/31/49/80/556314980.db2.gz CNXAMYHANVQIQJ-AREMUKBSSA-N 0 0 440.568 6.229 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1cccc(Cl)c1)N2 ZINC000009861360 556315054 /nfs/dbraw/zinc/31/50/54/556315054.db2.gz OHMAFGPLYJZEIW-RUZDIDTESA-N 0 0 428.919 6.157 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCc1ccccc1 ZINC000009892551 556315638 /nfs/dbraw/zinc/31/56/38/556315638.db2.gz NXWHGINPEJOMID-QFIPXVFZSA-N 0 0 437.370 6.919 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC ZINC000009982673 556320132 /nfs/dbraw/zinc/32/01/32/556320132.db2.gz QSWKHWCARMUOIP-HRAATJIYSA-N 0 0 439.602 5.313 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000009993329 556320168 /nfs/dbraw/zinc/32/01/68/556320168.db2.gz PESMSLZLKCJSHT-FQEVSTJZSA-N 0 0 430.460 5.218 50 30 IKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000010035316 556323010 /nfs/dbraw/zinc/32/30/10/556323010.db2.gz KDUKQIGZEHYLQG-OWJWWREXSA-N 0 0 432.907 6.000 50 30 IKEARN COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035308 556323025 /nfs/dbraw/zinc/32/30/25/556323025.db2.gz KQYMAEBHQWVZEK-CLYVBNDRSA-N 0 0 438.527 5.762 50 30 IKEARN COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035309 556323040 /nfs/dbraw/zinc/32/30/40/556323040.db2.gz KQYMAEBHQWVZEK-MYUZEXMDSA-N 0 0 438.527 5.762 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000010035303 556323131 /nfs/dbraw/zinc/32/31/31/556323131.db2.gz XUAGXEOBLFQHEV-HFJWLAOPSA-N 0 0 447.987 7.008 50 30 IKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000010035314 556323144 /nfs/dbraw/zinc/32/31/44/556323144.db2.gz KDUKQIGZEHYLQG-MYYSRTQBSA-N 0 0 432.907 6.000 50 30 IKEARN C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl ZINC000032754432 556323641 /nfs/dbraw/zinc/32/36/41/556323641.db2.gz WEDXXOPOQYZCMT-LLVKDONJSA-N 0 0 438.384 5.972 50 30 IKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000013881079 556325942 /nfs/dbraw/zinc/32/59/42/556325942.db2.gz WDLXOKWWOKRWLN-HAHDFKILSA-N 0 0 447.579 6.422 50 30 IKEARN FC(F)(F)c1nc(/N=C/c2ccc(Cl)cc2Cl)sc1-c1ccc(Cl)cc1 ZINC000013881975 556326580 /nfs/dbraw/zinc/32/65/80/556326580.db2.gz FMVGYZGCOGZHPZ-KTZMUZOWSA-N 0 0 435.685 7.540 50 30 IKEARN N#Cc1c(/N=C/N2CCCCCC2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013895488 556328935 /nfs/dbraw/zinc/32/89/35/556328935.db2.gz SQCNKEDYQDNTNZ-DFKUXCBWSA-N 0 0 448.570 6.871 50 30 IKEARN O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1cccc(Br)c1 ZINC000013898229 556330547 /nfs/dbraw/zinc/33/05/47/556330547.db2.gz BUOLNCLBADJKTO-FSJBWODESA-N 0 0 429.701 5.811 50 30 IKEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1cc(C)cc(C)c1 ZINC000013940678 556338016 /nfs/dbraw/zinc/33/80/16/556338016.db2.gz GAXHCTVFFYMXAL-YZSQISJMSA-N 0 0 449.507 5.514 50 30 IKEARN Brc1ccc(OCc2ccccc2)c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000013940987 556338156 /nfs/dbraw/zinc/33/81/56/556338156.db2.gz BAYRRXGVQGRRQA-YDZHTSKRSA-N 0 0 438.350 6.084 50 30 IKEARN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCCCOc2ccccc2Cl)cc1 ZINC000013940744 556338212 /nfs/dbraw/zinc/33/82/12/556338212.db2.gz DNTBTMHMYDRDOK-LFVJCYFKSA-N 0 0 425.872 5.542 50 30 IKEARN O=C1C=CC(=[NH+][N-]c2ccc(Br)cc2)C=C1C=Nc1cccc2ccccc21 ZINC000013940896 556338218 /nfs/dbraw/zinc/33/82/18/556338218.db2.gz FQVQOMKEKBQWPU-RVTFTXCGSA-N 0 0 430.305 7.474 50 30 IKEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000013941778 556338625 /nfs/dbraw/zinc/33/86/25/556338625.db2.gz XLWSKUBLWXTHOA-PDGQHHTCSA-N 0 0 442.313 5.271 50 30 IKEARN O=C1CSC(=S)N1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000013961179 556348965 /nfs/dbraw/zinc/34/89/65/556348965.db2.gz RXMPVYNYQMSXJU-PTXOJBNSSA-N 0 0 435.741 5.013 50 30 IKEARN CC(=O)Nc1s/c(=N\N=C/c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1 ZINC000032623431 556410752 /nfs/dbraw/zinc/41/07/52/556410752.db2.gz ZHJCNYGEUIMWPH-CIPAVPIUSA-N 0 0 426.545 5.407 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SCC(C)C)cc1C ZINC000032828898 556413255 /nfs/dbraw/zinc/41/32/55/556413255.db2.gz ABLGNCLFNSDTPG-FQEVSTJZSA-N 0 0 425.579 5.033 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1 ZINC000032828839 556413285 /nfs/dbraw/zinc/41/32/85/556413285.db2.gz JFJZDFCBSSSARC-QFIPXVFZSA-N 0 0 445.569 5.269 50 30 IKEARN Cc1cccc(NC(=O)[C@]2(C#N)[C@H](c3ccccc3)[C@@]2(C)C(=O)c2ccc(Cl)cc2)c1 ZINC000014944514 556459364 /nfs/dbraw/zinc/45/93/64/556459364.db2.gz IPHQYXBFPOIGLR-RZFJZAQRSA-N 0 0 428.919 5.784 50 30 IKEARN O=C(Oc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1)c1ccc(Cl)cc1 ZINC000015011697 556483540 /nfs/dbraw/zinc/48/35/40/556483540.db2.gz CTWRELATGGZUTG-XSFVSMFZSA-N 0 0 434.904 5.451 50 30 IKEARN O=C1NC(=Nc2ccc(Cl)cc2)SC1=C1c2ccccc2N(Cc2ccccc2)C1=O ZINC000015015709 556484848 /nfs/dbraw/zinc/48/48/48/556484848.db2.gz BTMOZMHKLNRTCM-MRCUWXFGSA-N 0 0 445.931 5.989 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1O ZINC000015018138 556486798 /nfs/dbraw/zinc/48/67/98/556486798.db2.gz NGXRSFDDJYYEKR-LMTJQJACSA-N 0 0 444.556 6.216 50 30 IKEARN Cc1ccc(NC(=O)COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1C ZINC000015018611 556487263 /nfs/dbraw/zinc/48/72/63/556487263.db2.gz NHCPPJWOIKBRJX-AFUMVMLFSA-N 0 0 430.533 5.377 50 30 IKEARN COc1cc(C=NNc2cccc(C)c2)cc(Br)c1OCc1ccccc1 ZINC000032705944 556498626 /nfs/dbraw/zinc/49/86/26/556498626.db2.gz MPJNJIKXLRADTI-OYKKKHCWSA-N 0 0 425.326 5.791 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000003082727 556518584 /nfs/dbraw/zinc/51/85/84/556518584.db2.gz KOQSZCCYWDCYKO-BHGWPJFGSA-N 0 0 449.677 6.525 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Br ZINC000003083394 556518696 /nfs/dbraw/zinc/51/86/96/556518696.db2.gz CGQNYBLQVLRXQP-DHRITJCHSA-N 0 0 435.321 6.633 50 30 IKEARN CCCCCCCCCCS(=O)(=O)Nc1cc(Br)c2cccnc2c1 ZINC000003092389 556519927 /nfs/dbraw/zinc/51/99/27/556519927.db2.gz KZDRMASKQSPSBH-UHFFFAOYSA-N 0 0 427.408 5.880 50 30 IKEARN N#Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(=O)Nc2ccccc2)c1 ZINC000004424761 556526816 /nfs/dbraw/zinc/52/68/16/556526816.db2.gz VZCKERGBTJQZLD-NFFVHWSESA-N 0 0 434.282 6.096 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC ZINC000031854465 556527225 /nfs/dbraw/zinc/52/72/25/556527225.db2.gz LRFGGRBSEBBYMH-FBHDLOMBSA-N 0 0 448.342 5.044 50 30 biogenic,in-vitro IKEARN CC(=O)N(c1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1 ZINC000072305320 556553564 /nfs/dbraw/zinc/55/35/64/556553564.db2.gz QBXBEBVLSQZLFW-LOSJGSFVSA-N 0 0 444.604 5.716 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(Cl)c(OC)c3)c12 ZINC000015822716 556553945 /nfs/dbraw/zinc/55/39/45/556553945.db2.gz PRCJGTXFXJLODG-MDZDMXLPSA-N 0 0 440.330 5.995 50 30 IKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)cc1 ZINC000015826285 556554221 /nfs/dbraw/zinc/55/42/21/556554221.db2.gz CHUMWJBCGUVNFZ-VWLOTQADSA-N 0 0 442.584 6.513 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1cccs1 ZINC000015826253 556554288 /nfs/dbraw/zinc/55/42/88/556554288.db2.gz DQVKWHBFOOKMBA-DEOSSOPVSA-N 0 0 443.572 6.597 50 30 IKEARN COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000015837159 556555993 /nfs/dbraw/zinc/55/59/93/556555993.db2.gz ZOTOCPNECSZKGW-QINSGFPZSA-N 0 0 425.444 5.352 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C(C)=O)c1 ZINC000015945275 556566832 /nfs/dbraw/zinc/56/68/32/556566832.db2.gz RVJTWKGUORAROP-ZMPCKTLKSA-N 0 0 437.590 5.663 50 30 IKEARN CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2 ZINC000015945635 556566835 /nfs/dbraw/zinc/56/68/35/556566835.db2.gz YUNCRGUVZOMIDE-WGOQTCKBSA-N 0 0 434.561 6.037 50 30 IKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C)C3)c1 ZINC000015946516 556567404 /nfs/dbraw/zinc/56/74/04/556567404.db2.gz ZUJNXOYFMXQPHZ-WBILBPDKSA-N 0 0 434.561 5.893 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000001175427 556574238 /nfs/dbraw/zinc/57/42/38/556574238.db2.gz GNFWYUKPEKUBAW-OAQYLSRUSA-N 0 0 444.428 5.451 50 30 IKEARN O=c1[nH]c2ccc(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)cc2[nH]1 ZINC000001192739 556574405 /nfs/dbraw/zinc/57/44/05/556574405.db2.gz USCXXYXHONJYON-KBKYJPHKSA-N 0 0 435.314 5.917 50 30 IKEARN C/C(CCc1oc2c(cc(Br)cc2Br)c1-c1ccc(C)o1)=N\O ZINC000100544709 556579968 /nfs/dbraw/zinc/57/99/68/556579968.db2.gz KVQXCZPUDTWREV-AWQFTUOYSA-N 0 0 441.119 6.309 50 30 IKEARN N=C(NOC(=O)c1ccccc1Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000034871126 556584819 /nfs/dbraw/zinc/58/48/19/556584819.db2.gz ZVCNNXWGJIHXKG-UHFFFAOYSA-N 0 0 435.789 5.023 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C)cc2C)c1C ZINC000032971758 556589534 /nfs/dbraw/zinc/58/95/34/556589534.db2.gz SBMXOZOQTRGILT-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1ccccc1C ZINC000032972312 556590288 /nfs/dbraw/zinc/59/02/88/556590288.db2.gz CUAXCMYMEYEXMM-UHFFFAOYSA-N 0 0 431.584 5.041 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1C ZINC000032972362 556590701 /nfs/dbraw/zinc/59/07/01/556590701.db2.gz UJUIFWPREHFQDK-UHFFFAOYSA-N 0 0 444.366 5.050 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cccc(C)c1C ZINC000032972329 556590736 /nfs/dbraw/zinc/59/07/36/556590736.db2.gz HWJNHQKFQIHCND-UHFFFAOYSA-N 0 0 445.611 5.349 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(F)c1)Nc1ccc(C(C)C)cc1 ZINC000032972656 556591075 /nfs/dbraw/zinc/59/10/75/556591075.db2.gz PHIRYIXBYPKOND-UHFFFAOYSA-N 0 0 435.547 5.006 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2cccc(Cl)c2C)c(C)n1 ZINC000032972848 556591499 /nfs/dbraw/zinc/59/14/99/556591499.db2.gz HUBNXBIKEKCUKW-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)o1 ZINC000016215044 556591578 /nfs/dbraw/zinc/59/15/78/556591578.db2.gz UQVVHUFUERUTQO-HCBMXOAHSA-N 0 0 427.285 5.005 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)cc(C)c2)c(C)n1 ZINC000032973007 556591997 /nfs/dbraw/zinc/59/19/97/556591997.db2.gz MJLOJGXPRSXUAX-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(CC)c2)c(C)n1 ZINC000032972933 556592609 /nfs/dbraw/zinc/59/26/09/556592609.db2.gz REZNVYHIWCQDFI-UHFFFAOYSA-N 0 0 431.584 5.179 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c1C ZINC000032973220 556593255 /nfs/dbraw/zinc/59/32/55/556593255.db2.gz DDGYWPKPSAMYER-UHFFFAOYSA-N 0 0 445.611 5.194 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1cc(C)cc(C)c1)NCCc1c(C)nn(CC)c1C ZINC000032973336 556593834 /nfs/dbraw/zinc/59/38/34/556593834.db2.gz OIKWPQWRQSPRJZ-UHFFFAOYSA-N 0 0 445.611 5.140 50 30 IKEARN Cc1cc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000016283210 556596730 /nfs/dbraw/zinc/59/67/30/556596730.db2.gz WHWAPFYASGRGBF-ODLFYWEKSA-N 0 0 439.880 5.708 50 30 IKEARN CCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1 ZINC000016310186 556599297 /nfs/dbraw/zinc/59/92/97/556599297.db2.gz ITQLCZJVFBUMOY-YUMHPJSZSA-N 0 0 428.467 5.500 50 30 IKEARN O=C(c1ccccc1)C1=CN(c2ccc(Cl)c(Cl)c2)c2ccccc2S1(=O)=O ZINC000032984131 556603286 /nfs/dbraw/zinc/60/32/86/556603286.db2.gz IPNFNCFAEZQJHX-UHFFFAOYSA-N 0 0 430.312 5.643 50 30 IKEARN CC(C)c1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984224 556603463 /nfs/dbraw/zinc/60/34/63/556603463.db2.gz WHLAJBDAUMMFLT-UHFFFAOYSA-N 0 0 437.948 6.113 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984429 556603661 /nfs/dbraw/zinc/60/36/61/556603661.db2.gz WIBGKDBCYYWWRV-UHFFFAOYSA-N 0 0 425.456 5.231 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3cccc(CC)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984291 556604042 /nfs/dbraw/zinc/60/40/42/556604042.db2.gz CXYSUFMOZUIJBD-UHFFFAOYSA-N 0 0 433.529 5.297 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(F)c(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984314 556604089 /nfs/dbraw/zinc/60/40/89/556604089.db2.gz IUKQRVHDSGRLSV-UHFFFAOYSA-N 0 0 441.455 5.013 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984285 556604094 /nfs/dbraw/zinc/60/40/94/556604094.db2.gz XSBQDUOTUYLEDJ-UHFFFAOYSA-N 0 0 437.948 5.915 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O ZINC000032984401 556604353 /nfs/dbraw/zinc/60/43/53/556604353.db2.gz VJBCJJVZTSWRFD-UHFFFAOYSA-N 0 0 448.302 5.782 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1 ZINC000016426534 556606852 /nfs/dbraw/zinc/60/68/52/556606852.db2.gz WXNCEAQGONUWPI-CRYYWNKWSA-N 0 0 444.506 5.822 50 30 IKEARN Fc1c(F)c(F)c(N=NCc2ccc(-c3ccc(Br)cc3)o2)c(F)c1F ZINC000016429476 556607230 /nfs/dbraw/zinc/60/72/30/556607230.db2.gz OZDSIHCEQOSVJS-HCBMXOAHSA-N 0 0 431.158 5.851 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000016447593 556608038 /nfs/dbraw/zinc/60/80/38/556608038.db2.gz DGXSOXOBGCYYPX-LADGPHEKSA-N 0 0 437.539 5.578 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000016447595 556608083 /nfs/dbraw/zinc/60/80/83/556608083.db2.gz DGXSOXOBGCYYPX-ISKFKSNPSA-N 0 0 437.539 5.578 50 30 IKEARN Oc1ccccc1/C=N/c1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 ZINC000016449123 556608965 /nfs/dbraw/zinc/60/89/65/556608965.db2.gz ZCTHBMAKHKOVOW-LPHFKDDMSA-N 0 0 433.467 6.407 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C#N)N(C(=O)CC)c1ccccc1-2 ZINC000032997100 556609293 /nfs/dbraw/zinc/60/92/93/556609293.db2.gz HNKVCEJYWCIEKT-HSZRJFAPSA-N 0 0 445.548 5.137 50 30 IKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N=NCc3ccccc3O)n2)cc1OC ZINC000016671564 556621565 /nfs/dbraw/zinc/62/15/65/556621565.db2.gz IIXDPFUYJOOTOY-JVWAILMASA-N 0 0 440.503 5.288 50 30 IKEARN CN(C)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000016667329 556621710 /nfs/dbraw/zinc/62/17/10/556621710.db2.gz SCZDWWWCUJAVTH-HXNPFYCNSA-N 0 0 427.573 5.425 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)ccc1O ZINC000016677588 556622688 /nfs/dbraw/zinc/62/26/88/556622688.db2.gz PYILQEFUPOGNQY-ZMOGYAJESA-N 0 0 449.308 5.220 50 30 IKEARN COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n32)cc1OC ZINC000033712409 556623936 /nfs/dbraw/zinc/62/39/36/556623936.db2.gz FEYADLYHVICVKM-SQFISAMPSA-N 0 0 437.499 5.406 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000033711272 556625666 /nfs/dbraw/zinc/62/56/66/556625666.db2.gz VMZONVWPTOGZEA-UBFVSLLYSA-N 0 0 435.914 5.624 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1 ZINC000016689190 556626973 /nfs/dbraw/zinc/62/69/73/556626973.db2.gz HBAZJXWSXXDZGY-XQNSMLJCSA-N 0 0 430.529 5.556 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731757 556631373 /nfs/dbraw/zinc/63/13/73/556631373.db2.gz TZZSGINJMGTZAB-QHCPKHFHSA-N 0 0 433.479 5.629 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016735780 556633244 /nfs/dbraw/zinc/63/32/44/556633244.db2.gz FOTAODVASHTWEO-RUZDIDTESA-N 0 0 425.528 5.897 50 30 IKEARN Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 ZINC000016739193 556634011 /nfs/dbraw/zinc/63/40/11/556634011.db2.gz LFPHMBOIEXIZCV-PSCYQSDVSA-N 0 0 429.545 5.468 50 30 IKEARN CCOC(=O)Nc1sc(N=NCc2ccc(O)c(OCC)c2)nc1-c1ccc(C)cc1 ZINC000016751493 556637496 /nfs/dbraw/zinc/63/74/96/556637496.db2.gz MIYJFOUQMSPWEF-YDZHTSKRSA-N 0 0 440.525 5.237 50 30 IKEARN CCOC(=O)Nc1sc(N=NCc2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000016751476 556637527 /nfs/dbraw/zinc/63/75/27/556637527.db2.gz LEAQEZSQLUXUMZ-MFKUBSTISA-N 0 0 436.581 6.430 50 30 IKEARN O=C(Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 ZINC000016751468 556637545 /nfs/dbraw/zinc/63/75/45/556637545.db2.gz TYDQMROCRGEKDP-MPCPQKGKSA-N 0 0 442.519 6.313 50 30 IKEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016779345 556640978 /nfs/dbraw/zinc/64/09/78/556640978.db2.gz APMCBNXDEBYPDP-PIGZYNQJSA-N 0 0 429.611 5.231 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1C ZINC000016804839 556643363 /nfs/dbraw/zinc/64/33/63/556643363.db2.gz KQZBNVXCBKXCQO-QHCPKHFHSA-N 0 0 446.478 5.101 50 30 IKEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807385 556644439 /nfs/dbraw/zinc/64/44/39/556644439.db2.gz VAEOSPLUXZLREG-INIZCTEOSA-N 0 0 429.973 5.124 50 30 IKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)c1 ZINC000016960306 556651233 /nfs/dbraw/zinc/65/12/33/556651233.db2.gz MAHQIFUZWWHCIF-FQEVSTJZSA-N 0 0 445.544 5.048 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000016995576 556652381 /nfs/dbraw/zinc/65/23/81/556652381.db2.gz CFJQPANDIBUDTP-FQEVSTJZSA-N 0 0 434.289 5.232 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)sc2C1 ZINC000033000077 556653966 /nfs/dbraw/zinc/65/39/66/556653966.db2.gz WEKULDGCPFUSPF-ZDUSSCGKSA-N 0 0 440.956 5.409 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 ZINC000017044128 556654064 /nfs/dbraw/zinc/65/40/64/556654064.db2.gz CYZDTEZSZIBLNC-HHHXNRCGSA-N 0 0 446.591 6.419 50 30 IKEARN Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@H]2c1ccc(C(C)C)cc1 ZINC000017045489 556654356 /nfs/dbraw/zinc/65/43/56/556654356.db2.gz BTPULVLKVMVCHX-HXUWFJFHSA-N 0 0 442.350 5.938 50 30 IKEARN N#CC(=NNc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1 ZINC000011853086 556662998 /nfs/dbraw/zinc/66/29/98/556662998.db2.gz XZPYWJWCOKJINJ-LGUFXXKBSA-N 0 0 433.334 6.066 50 30 IKEARN O=C(ON=C1CCCCC1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000017100784 556665696 /nfs/dbraw/zinc/66/56/96/556665696.db2.gz PKKQTMCDLSVNMW-UHFFFAOYSA-N 0 0 436.821 5.545 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1 ZINC000011869540 556667692 /nfs/dbraw/zinc/66/76/92/556667692.db2.gz ICAZQFGVSBXSKP-FBHDLOMBSA-N 0 0 441.266 5.837 50 30 IKEARN COc1cc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc(OC)c1OC ZINC000011869120 556667803 /nfs/dbraw/zinc/66/78/03/556667803.db2.gz XOYQHHBRTNBRKN-JJFYIABZSA-N 0 0 432.472 5.216 50 30 biogenic IKEARN CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017113159 556668055 /nfs/dbraw/zinc/66/80/55/556668055.db2.gz MGQLKWGCENGDDV-KRWDZBQOSA-N 0 0 429.611 5.170 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccc(F)c1 ZINC000017124858 556668874 /nfs/dbraw/zinc/66/88/74/556668874.db2.gz VQABUBVJJRBHPY-FQEVSTJZSA-N 0 0 432.417 5.531 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000017145801 556669937 /nfs/dbraw/zinc/66/99/37/556669937.db2.gz FFBCYWJTOBHJQY-GTZNUUOLSA-N 0 0 432.545 5.349 50 30 IKEARN Cc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000017167321 556671178 /nfs/dbraw/zinc/67/11/78/556671178.db2.gz ALIODALURXVDNP-NHDPSOOVSA-N 0 0 439.943 6.087 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000017167372 556671182 /nfs/dbraw/zinc/67/11/82/556671182.db2.gz HHSWCDIMZGCQOS-GOESLVMASA-N 0 0 431.561 6.113 50 30 IKEARN O=C(NCc1ccccc1)c1c(/N=C\c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000017167116 556671212 /nfs/dbraw/zinc/67/12/12/556671212.db2.gz MUQBGVONZVWWRL-YUMHPJSZSA-N 0 0 432.545 5.079 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000017189567 556672219 /nfs/dbraw/zinc/67/22/19/556672219.db2.gz BPTXLLNOTVPMHX-LJQANCHMSA-N 0 0 449.963 5.692 50 30 IKEARN COc1cc(C=C2SC(=Nc3ccc(Br)cc3)NC2=O)cc(OC)c1OC ZINC000017196739 556672901 /nfs/dbraw/zinc/67/29/01/556672901.db2.gz HALFXRUOFHFOMU-YBEGLDIGSA-N 0 0 449.326 5.207 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1F ZINC000011914359 556673815 /nfs/dbraw/zinc/67/38/15/556673815.db2.gz ZDZRPDQAASTLEJ-JOCHJYFZSA-N 0 0 425.500 5.239 50 30 IKEARN CCCCCCCCS(=O)(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000109879169 556675935 /nfs/dbraw/zinc/67/59/35/556675935.db2.gz SYUOSPPTWRIEBK-JJIBRWJFSA-N 0 0 437.005 5.533 50 30 IKEARN N#Cc1c(/N=C/c2ccccc2Br)oc(-c2ccccc2)c1-c1ccccc1 ZINC000100812370 556676500 /nfs/dbraw/zinc/67/65/00/556676500.db2.gz LMTFFZBZWLWLAH-JVWAILMASA-N 0 0 427.301 6.998 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc(Cl)c1OC ZINC000033862415 556678820 /nfs/dbraw/zinc/67/88/20/556678820.db2.gz YEYFMRSTOIVOPM-MOSHPQCFSA-N 0 0 438.936 5.792 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1 ZINC000017992519 556681268 /nfs/dbraw/zinc/68/12/68/556681268.db2.gz BFVILGZACDUFHH-CCLHPLFOSA-N 0 0 438.527 5.899 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000018057033 556682424 /nfs/dbraw/zinc/68/24/24/556682424.db2.gz RFGAFOURCLUOMA-HRFSGMKKSA-N 0 0 442.946 6.261 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000018106877 556684139 /nfs/dbraw/zinc/68/41/39/556684139.db2.gz WDWAQXJHXSWBCK-XHCCPWGMSA-N 0 0 426.516 5.683 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2Cl)nc1 ZINC000018130612 556684502 /nfs/dbraw/zinc/68/45/02/556684502.db2.gz AZLOQVQAYLALKF-FQEVSTJZSA-N 0 0 442.346 5.303 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000018155898 556685270 /nfs/dbraw/zinc/68/52/70/556685270.db2.gz AUGPVCVOLVUIRU-NSYGIPOTSA-N 0 0 432.907 5.854 50 30 IKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2)n1 ZINC000018158755 556685565 /nfs/dbraw/zinc/68/55/65/556685565.db2.gz ZBAXQWXIPWNLPL-UHFFFAOYSA-N 0 0 429.311 5.512 50 30 aggregator IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000018188243 556686133 /nfs/dbraw/zinc/68/61/33/556686133.db2.gz LGCLOXHLFLSDOV-MHECFPHRSA-N 0 0 437.926 6.035 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000018206709 556686916 /nfs/dbraw/zinc/68/69/16/556686916.db2.gz RFGAFOURCLUOMA-DCFHFQCYSA-N 0 0 442.946 6.261 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000018250737 556688487 /nfs/dbraw/zinc/68/84/87/556688487.db2.gz AKKBVQSJPCVNPB-SSOJOUAXSA-N 0 0 432.520 5.808 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018286679 556689315 /nfs/dbraw/zinc/68/93/15/556689315.db2.gz VFTKHMOCXQDQJR-AREMUKBSSA-N 0 0 444.619 6.783 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 ZINC000018286044 556689378 /nfs/dbraw/zinc/68/93/78/556689378.db2.gz HPNULZLDPIMLNF-WGDIFIGCSA-N 0 0 430.935 6.328 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)ccc1Cl ZINC000003115309 556691195 /nfs/dbraw/zinc/69/11/95/556691195.db2.gz HBMSGJFLISIJPS-YSURURNPSA-N 0 0 446.677 7.114 50 30 IKEARN N#Cc1c(NC(=O)c2ccccc2Br)oc(-c2ccccc2)c1-c1ccccc1 ZINC000013616262 556702181 /nfs/dbraw/zinc/70/21/81/556702181.db2.gz HAFGLZYGTJAFPA-UHFFFAOYSA-N 0 0 443.300 6.500 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(SC)cc2)ccc1O ZINC000033026448 556703191 /nfs/dbraw/zinc/70/31/91/556703191.db2.gz ITOCUDZKPBQEBU-MWTRTKDXSA-N 0 0 448.544 5.377 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033026458 556703569 /nfs/dbraw/zinc/70/35/69/556703569.db2.gz CEDOFBNGFVTUKT-LAJNKCICSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)cc1C ZINC000033027189 556704665 /nfs/dbraw/zinc/70/46/65/556704665.db2.gz WNRBFUYTCMEEEV-UHFFFAOYSA-N 0 0 425.488 5.565 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000013635511 556705314 /nfs/dbraw/zinc/70/53/14/556705314.db2.gz SPICJYJHSFWNHN-YTFSRNRJSA-N 0 0 441.943 5.686 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1 ZINC000033896862 556722329 /nfs/dbraw/zinc/72/23/29/556722329.db2.gz YXYBNAMSWOQJQG-GATIEOLUSA-N 0 0 436.821 5.279 50 30 IKEARN COc1cc(C(=O)/C(=C\c2ccc(F)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000033912136 556723677 /nfs/dbraw/zinc/72/36/77/556723677.db2.gz YFCXOURGOFDMKA-LDADJPATSA-N 0 0 433.435 5.416 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2ncccc2c1 ZINC000033921174 556731387 /nfs/dbraw/zinc/73/13/87/556731387.db2.gz QNDXIMOAPNZAPA-UVTDQMKNSA-N 0 0 434.926 7.308 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)CCCC/C1=C\c1ccc(Cl)cc1Cl ZINC000033927900 556733251 /nfs/dbraw/zinc/73/32/51/556733251.db2.gz RVCZFIMQQWQFTP-KAVGSWPWSA-N 0 0 426.170 7.910 50 30 IKEARN CN(C)/C=C/C(=O)c1cnc(N(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)s1 ZINC000221581275 556734540 /nfs/dbraw/zinc/73/45/40/556734540.db2.gz XZAXSKIJIDEQSW-VAWYXSNFSA-N 0 0 445.466 5.398 50 30 IKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000072333066 556749593 /nfs/dbraw/zinc/74/95/93/556749593.db2.gz LGWIRWAGRWOHLZ-XMMPIXPASA-N 0 0 443.547 5.399 50 30 IKEARN C#CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1Br ZINC000409122098 556761931 /nfs/dbraw/zinc/76/19/31/556761931.db2.gz XIADUGAXBLETDW-UHFFFAOYSA-N 0 0 439.147 5.234 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(-n2nnc3ccccc32)c1Cc1ccc(Cl)cc1 ZINC000005354649 556767668 /nfs/dbraw/zinc/76/76/68/556767668.db2.gz QXUWLQUHBVXJRK-UHFFFAOYSA-N 0 0 448.917 5.646 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000034118274 556772450 /nfs/dbraw/zinc/77/24/50/556772450.db2.gz XQRHHEAEMRWLDQ-ZLNRFVROSA-N 0 0 441.943 5.686 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c2ccccc2cc2ccccc21 ZINC000019535709 556793922 /nfs/dbraw/zinc/79/39/22/556793922.db2.gz VDXADYOWHQEHPH-HHHXNRCGSA-N 0 0 439.555 6.160 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 ZINC000019536175 556794089 /nfs/dbraw/zinc/79/40/89/556794089.db2.gz DJZBLXGFFYGOPQ-VWLOTQADSA-N 0 0 431.532 5.185 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535734 556794170 /nfs/dbraw/zinc/79/41/70/556794170.db2.gz UXUBQWVFBCBFGT-NRFANRHFSA-N 0 0 447.497 5.795 50 30 IKEARN N#CCCN(C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000003279098 556808169 /nfs/dbraw/zinc/80/81/69/556808169.db2.gz LVVUPLVVVDKREJ-UHFFFAOYSA-N 0 0 448.906 5.023 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000003353610 556813848 /nfs/dbraw/zinc/81/38/48/556813848.db2.gz IIPUGRXWMHIORJ-QGZVFWFLSA-N 0 0 444.556 5.058 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000005481207 556817160 /nfs/dbraw/zinc/81/71/60/556817160.db2.gz UOCUEIOMIAYZNI-SWYXJYPRSA-N 0 0 428.613 5.468 50 30 biogenic,in-vitro IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000019630395 556832313 /nfs/dbraw/zinc/83/23/13/556832313.db2.gz VSKLXCJSVVBUIF-IQMFZBJNSA-N 0 0 439.602 5.657 50 30 IKEARN FC(F)(F)c1cnc(-c2ccc(/C=N/OCc3ccccc3Cl)cc2)c(Cl)c1 ZINC000022996423 556833558 /nfs/dbraw/zinc/83/35/58/556833558.db2.gz URUBEKJNXKRDKP-YPXUMCKCSA-N 0 0 425.237 6.625 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019634631 556834456 /nfs/dbraw/zinc/83/44/56/556834456.db2.gz USDMBBGSNOGXPP-AMGIVPHBSA-N 0 0 441.571 5.924 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019643584 556838341 /nfs/dbraw/zinc/83/83/41/556838341.db2.gz GSKDVKZRDSPPOD-AFMDSPMNSA-N 0 0 445.534 5.673 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019643578 556838403 /nfs/dbraw/zinc/83/84/03/556838403.db2.gz GSKDVKZRDSPPOD-NIYFSFCBSA-N 0 0 445.534 5.673 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000019643772 556838506 /nfs/dbraw/zinc/83/85/06/556838506.db2.gz VYWAPTRTHADXDU-AREMUKBSSA-N 0 0 445.559 5.433 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000019643784 556838565 /nfs/dbraw/zinc/83/85/65/556838565.db2.gz LYBMJVAFISFUSN-RXFWQSSRSA-N 0 0 445.559 5.256 50 30 IKEARN O=C(NC(NCc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000097949735 556840614 /nfs/dbraw/zinc/84/06/14/556840614.db2.gz YTZPQOMSLNKRTL-UHFFFAOYSA-N 0 0 444.297 5.046 50 30 IKEARN O=C(/C=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOCC2)cc1 ZINC000096793847 556845740 /nfs/dbraw/zinc/84/57/40/556845740.db2.gz KQKZCOCKAQRIPF-NTMALXAHSA-N 0 0 438.321 5.442 50 30 IKEARN C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c1ccccc1 ZINC000096803785 556846318 /nfs/dbraw/zinc/84/63/18/556846318.db2.gz JDVSIHZJXICDCV-FRQJIFLKSA-N 0 0 447.585 5.722 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 ZINC000097950326 556848484 /nfs/dbraw/zinc/84/84/84/556848484.db2.gz NFFHHPNVJGRSRY-UHFFFAOYSA-N 0 0 441.666 5.806 50 30 IKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000097951538 556848630 /nfs/dbraw/zinc/84/86/30/556848630.db2.gz DFJULOPMUKHWBK-UHFFFAOYSA-N 0 0 443.444 7.562 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097952916 556849649 /nfs/dbraw/zinc/84/96/49/556849649.db2.gz RNKOBFACQDCZQT-HSZRJFAPSA-N 0 0 431.624 7.006 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000097952673 556849930 /nfs/dbraw/zinc/84/99/30/556849930.db2.gz PHBKZLOCETYLJM-UHFFFAOYSA-N 0 0 433.600 5.757 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000097954125 556850233 /nfs/dbraw/zinc/85/02/33/556850233.db2.gz SENMYFYAAGGFKY-UHFFFAOYSA-N 0 0 425.536 5.313 50 30 IKEARN CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954404 556850554 /nfs/dbraw/zinc/85/05/54/556850554.db2.gz GKYPMMOJAPYGJJ-NRFANRHFSA-N 0 0 433.596 6.316 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1OC ZINC000033097107 556858664 /nfs/dbraw/zinc/85/86/64/556858664.db2.gz UJPJRKNWBKBOKH-CGINZGNNSA-N 0 0 436.577 6.031 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000033097108 556858676 /nfs/dbraw/zinc/85/86/76/556858676.db2.gz WHAQREIOMFWERS-HCNWTGQWSA-N 0 0 431.388 6.930 50 30 IKEARN Cc1ccc(/C=C\C(=O)c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)o1 ZINC000033246271 556889461 /nfs/dbraw/zinc/88/94/61/556889461.db2.gz XLGJFDCEFSNHSL-BENRWUELSA-N 0 0 434.289 5.755 50 30 IKEARN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)CCC/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000033247569 556889643 /nfs/dbraw/zinc/88/96/43/556889643.db2.gz RBJJAWPBKHYHSE-ARHRGINZSA-N 0 0 442.461 7.705 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F ZINC000019761927 556906033 /nfs/dbraw/zinc/90/60/33/556906033.db2.gz VNVRIFOIKKKMRY-IVZQSRNASA-N 0 0 425.887 5.014 50 30 IKEARN CSc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019770762 556912788 /nfs/dbraw/zinc/91/27/88/556912788.db2.gz TXKMGHFTPVRGSX-XMMPIXPASA-N 0 0 433.573 5.162 50 30 IKEARN CC(C)(C)c1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O ZINC000019773327 556913501 /nfs/dbraw/zinc/91/35/01/556913501.db2.gz DMOZLAGCWRPREW-OGLMXYFKSA-N 0 0 442.047 5.792 50 30 IKEARN O=C1c2ccccc2C2=C1C1(c3cccc4cccc(c34)C1=O)C1=C(N2)c2ccccc2C1=O ZINC000019795177 556916284 /nfs/dbraw/zinc/91/62/84/556916284.db2.gz VBQWYJSORXLZFX-UHFFFAOYSA-N 0 0 437.454 5.092 50 30 IKEARN C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(\C)c1ccc(F)cc1 ZINC000019800820 556917841 /nfs/dbraw/zinc/91/78/41/556917841.db2.gz QEDZPCJTDQBXSY-INEPJFIPSA-N 0 0 449.473 5.297 50 30 IKEARN C=CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1Cl ZINC000019804666 556917926 /nfs/dbraw/zinc/91/79/26/556917926.db2.gz FZBOJNQJTOHFSM-NRFANRHFSA-N 0 0 435.907 5.036 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019830812 556926224 /nfs/dbraw/zinc/92/62/24/556926224.db2.gz JHTBJUSVJWSFGY-NBGIEHNGSA-N 0 0 433.523 5.387 50 30 IKEARN COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 ZINC000019879327 556936453 /nfs/dbraw/zinc/93/64/53/556936453.db2.gz BPHOMYDPLZNYIT-MTDXEUNCSA-N 0 0 449.982 5.079 50 30 IKEARN COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1OCc1ccccc1 ZINC000019879485 556936558 /nfs/dbraw/zinc/93/65/58/556936558.db2.gz YUJRDBAFISFXRY-VUTHCHCSSA-N 0 0 443.591 5.043 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000019898834 556941312 /nfs/dbraw/zinc/94/13/12/556941312.db2.gz VRAHPYATKVSEBV-JOCHJYFZSA-N 0 0 432.907 5.641 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020027281 556967332 /nfs/dbraw/zinc/96/73/32/556967332.db2.gz AOGQNRPFLLDBII-RUZDIDTESA-N 0 0 445.559 5.433 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097956238 556977147 /nfs/dbraw/zinc/97/71/47/556977147.db2.gz AOIJPFSDOOPYTG-QFIPXVFZSA-N 0 0 447.623 6.706 50 30 IKEARN CCCCCCCc1ccc(/C=C/c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000097958644 556977962 /nfs/dbraw/zinc/97/79/62/556977962.db2.gz JWKJQKIKQLWOAG-SFQUDFHCSA-N 0 0 425.370 7.182 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2)cc1 ZINC000097961221 556986356 /nfs/dbraw/zinc/98/63/56/556986356.db2.gz DUORJTVBVQJQNS-SICUDWHYSA-N 0 0 448.691 8.874 50 30 biogenic IKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1 ZINC000097967191 556988663 /nfs/dbraw/zinc/98/86/63/556988663.db2.gz FNBOUBNCTYESDH-XLNRJJMWSA-N 0 0 443.012 6.971 50 30 IKEARN CCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(C)=O ZINC000097997097 557004143 /nfs/dbraw/zinc/00/41/43/557004143.db2.gz ZFYRMQFKUCQZMW-XMMPIXPASA-N 0 0 446.632 5.052 50 30 IKEARN CCCCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000097995857 557004184 /nfs/dbraw/zinc/00/41/84/557004184.db2.gz SEMPRYUCDMYPCP-UHFFFAOYSA-N 0 0 430.972 6.899 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(OCC)cc3)C(=O)O2)cc1 ZINC000097997155 557004290 /nfs/dbraw/zinc/00/42/90/557004290.db2.gz LHYNERIHICUYKK-QLYXXIJNSA-N 0 0 449.591 6.949 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1 ZINC000097997727 557004369 /nfs/dbraw/zinc/00/43/69/557004369.db2.gz MBXRTUSGIPSVCA-CLCOLTQESA-N 0 0 439.983 7.204 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC(F)F)cc3)sc2C1 ZINC000013959827 557006213 /nfs/dbraw/zinc/00/62/13/557006213.db2.gz YSDXAPCZFLBDEP-FTXNUJCXSA-N 0 0 430.520 6.024 50 30 IKEARN Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(C)c1 ZINC000020357020 557011144 /nfs/dbraw/zinc/01/11/44/557011144.db2.gz GVRGFCVKOQVXOF-MHZLTWQESA-N 0 0 441.531 5.515 50 30 IKEARN CCCCCCCC(=O)c1ccc(CCc2ccc(C(=O)CCCCCCC)cc2)cc1 ZINC000098002690 557012309 /nfs/dbraw/zinc/01/23/09/557012309.db2.gz DTXAMOUIOZJWPB-UHFFFAOYSA-N 0 0 434.664 8.558 50 30 biogenic IKEARN Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C ZINC000032943106 557017269 /nfs/dbraw/zinc/01/72/69/557017269.db2.gz AWFGYWKOEHUODR-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(C(C)C)cc1 ZINC000032943360 557018139 /nfs/dbraw/zinc/01/81/39/557018139.db2.gz QXDRKITTXKBCDJ-UHFFFAOYSA-N 0 0 438.575 6.040 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12 ZINC000032943377 557018557 /nfs/dbraw/zinc/01/85/57/557018557.db2.gz YYTNLRGJPHXWEF-UHFFFAOYSA-N 0 0 428.511 5.310 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1C ZINC000032943443 557019363 /nfs/dbraw/zinc/01/93/63/557019363.db2.gz STYFAQZSPGBMEW-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1C ZINC000032943447 557019837 /nfs/dbraw/zinc/01/98/37/557019837.db2.gz XVNPQHSVOSBBHB-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000043220789 557023321 /nfs/dbraw/zinc/02/33/21/557023321.db2.gz BKVCVSUDKCXNAQ-CQSZACIVSA-N 0 0 437.590 5.649 50 30 IKEARN CCCCCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000098017949 557026430 /nfs/dbraw/zinc/02/64/30/557026430.db2.gz ANRBPRIGPDQAIF-UHFFFAOYSA-N 0 0 442.600 5.034 50 30 IKEARN N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153768 557028776 /nfs/dbraw/zinc/02/87/76/557028776.db2.gz RISXOCYLOJXCDY-UHFFFAOYSA-N 0 0 448.400 5.799 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1 ZINC000098021388 557029205 /nfs/dbraw/zinc/02/92/05/557029205.db2.gz GTDGCKWELWWFHZ-RUZDIDTESA-N 0 0 442.600 6.684 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000098021530 557029471 /nfs/dbraw/zinc/02/94/71/557029471.db2.gz CNBUYNOJKFWSOL-DEOSSOPVSA-N 0 0 428.573 6.293 50 30 IKEARN O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000017178370 557038103 /nfs/dbraw/zinc/03/81/03/557038103.db2.gz QXPCMONMGSTKOM-MLQDUXEUSA-N 0 0 439.547 6.182 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3nc4ccccc4n3C)cc2)cc1 ZINC000098045022 557046159 /nfs/dbraw/zinc/04/61/59/557046159.db2.gz JUOJPSUBOICTNF-UHFFFAOYSA-N 0 0 439.603 7.396 50 30 IKEARN CCCCCCCCOc1ccc(-c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 ZINC000098045147 557046174 /nfs/dbraw/zinc/04/61/74/557046174.db2.gz FMJZRVPHGVUDPX-UHFFFAOYSA-N 0 0 444.550 7.949 50 30 IKEARN CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000098046261 557046651 /nfs/dbraw/zinc/04/66/51/557046651.db2.gz KNFWDEOYRQGUQA-JOCHJYFZSA-N 0 0 425.956 6.279 50 30 IKEARN CCCCCCCCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000098047666 557047037 /nfs/dbraw/zinc/04/70/37/557047037.db2.gz QGCYQMFFKOLOIW-UHFFFAOYSA-N 0 0 426.564 7.151 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3cccc(SC)c3)cc2-c2ccccc2S1(=O)=O ZINC000033271928 557050379 /nfs/dbraw/zinc/05/03/79/557050379.db2.gz XGHMBXXJOHKYSF-UHFFFAOYSA-N 0 0 436.558 5.023 50 30 IKEARN O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOCC2)cc1 ZINC000048252873 557052190 /nfs/dbraw/zinc/05/21/90/557052190.db2.gz KQKZCOCKAQRIPF-CSKARUKUSA-N 0 0 438.321 5.442 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1cccc(N2CCOCC2)c1 ZINC000048303614 557058850 /nfs/dbraw/zinc/05/88/50/557058850.db2.gz VYPGZDFRJSHXOJ-CSKARUKUSA-N 0 0 438.321 5.442 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(Cl)cc2)ccc1O ZINC000033321096 557105771 /nfs/dbraw/zinc/10/57/71/557105771.db2.gz LLUMZAUJCNOVHZ-NYHFZMIOSA-N 0 0 436.895 5.309 50 30 IKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)c(OC)c1)C2 ZINC000033321134 557106063 /nfs/dbraw/zinc/10/60/63/557106063.db2.gz QUFAHBDDTDEJPC-FYSMJZIKSA-N 0 0 446.503 5.054 50 30 IKEARN N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1NC1CCCCC1 ZINC000033324450 557106366 /nfs/dbraw/zinc/10/63/66/557106366.db2.gz VIRUCVIKWYMCNW-UHFFFAOYSA-N 0 0 442.313 5.892 50 30 IKEARN C[C@H]1CCCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)C1 ZINC000033324472 557106450 /nfs/dbraw/zinc/10/64/50/557106450.db2.gz BFDQSXGTUVUUFP-AWEZNQCLSA-N 0 0 442.313 5.384 50 30 IKEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O ZINC000033324918 557106924 /nfs/dbraw/zinc/10/69/24/557106924.db2.gz FUGDOBUCZVYHSV-IVZQSRNASA-N 0 0 436.895 5.309 50 30 IKEARN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000003139520 557115492 /nfs/dbraw/zinc/11/54/92/557115492.db2.gz NTFYWERIAPEKIT-NDZAJKAJSA-N 0 0 431.491 6.790 50 30 IKEARN Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc4c(c2)OCO4)CCCC3)cc1C ZINC000098086344 557121796 /nfs/dbraw/zinc/12/17/96/557121796.db2.gz RCUVLSYRXVVRLZ-LGJNPRDNSA-N 0 0 432.545 5.975 50 30 IKEARN O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccc(-c2ccccc2)cc1 ZINC000033347374 557122971 /nfs/dbraw/zinc/12/29/71/557122971.db2.gz XQKHDZPJIHPNDM-NLRVBDNBSA-N 0 0 434.516 6.902 50 30 IKEARN Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000017823489 557124595 /nfs/dbraw/zinc/12/45/95/557124595.db2.gz BGOWMRGDUSUEFJ-HKOYGPOVSA-N 0 0 442.949 5.080 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1 ZINC000229929154 557126248 /nfs/dbraw/zinc/12/62/48/557126248.db2.gz KHMPSGMVRIWTHT-NOZRDPDXSA-N 0 0 427.460 5.402 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 ZINC000033349555 557127741 /nfs/dbraw/zinc/12/77/41/557127741.db2.gz RZODHAXXAPBNNY-LDADJPATSA-N 0 0 442.949 5.984 50 30 IKEARN Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c12 ZINC000023983751 557129589 /nfs/dbraw/zinc/12/95/89/557129589.db2.gz PITXMMKNYWDFQJ-OAQYLSRUSA-N 0 0 443.551 5.193 50 30 IKEARN CCCCCCCNC(=O)c1c(F)c(F)c(C(=O)NCCCCCCC)c(F)c1F ZINC000033354075 557129818 /nfs/dbraw/zinc/12/98/18/557129818.db2.gz UBCOQPPMRIVFSJ-UHFFFAOYSA-N 0 0 432.502 5.643 50 30 IKEARN O=C(Oc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1)c1ccccc1F ZINC000000659991 557130221 /nfs/dbraw/zinc/13/02/21/557130221.db2.gz NXCGOXIBMHWXGN-UHFFFAOYSA-N 0 0 432.447 5.173 50 30 IKEARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 ZINC000000663922 557131523 /nfs/dbraw/zinc/13/15/23/557131523.db2.gz NGPAODSZMFLCPQ-UHFFFAOYSA-N 0 0 439.890 5.544 50 30 IKEARN C=C(C)COc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1OCC ZINC000000668377 557131775 /nfs/dbraw/zinc/13/17/75/557131775.db2.gz HLSWMJHZZOXFEW-VCHYOVAHSA-N 0 0 442.309 5.147 50 30 IKEARN COc1ccc(Cl)cc1-c1ccc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)o1 ZINC000000677722 557133772 /nfs/dbraw/zinc/13/37/72/557133772.db2.gz PFPOECUOENVFIS-UHFFFAOYSA-N 0 0 439.862 5.402 50 30 IKEARN COc1ccc(/N=C/c2ccc(Sc3cccc4ncccc43)c([N+](=O)[O-])c2)c(OC)c1 ZINC000000705074 557139613 /nfs/dbraw/zinc/13/96/13/557139613.db2.gz OVSQYMFBIHQCPB-CVKSISIWSA-N 0 0 445.500 6.062 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000000711385 557145943 /nfs/dbraw/zinc/14/59/43/557145943.db2.gz AYHFYRCMZUUNLD-OBDYRVMHSA-N 0 0 433.486 5.544 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)c(Br)s3)sc2C1 ZINC000000714834 557148083 /nfs/dbraw/zinc/14/80/83/557148083.db2.gz QLMADRXMNAORFG-PSDBGZISSA-N 0 0 444.217 6.082 50 30 IKEARN FC(F)(F)c1cnc(CSc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)c1 ZINC000095742534 557160663 /nfs/dbraw/zinc/16/06/63/557160663.db2.gz WRFQGMUEMONGPD-UHFFFAOYSA-N 0 0 439.730 7.084 50 30 IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 ZINC000217412862 557168872 /nfs/dbraw/zinc/16/88/72/557168872.db2.gz JAHNEERZSBIKFN-UUOOZVGWSA-N 0 0 433.382 7.879 50 30 IKEARN C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000755586 557170009 /nfs/dbraw/zinc/17/00/09/557170009.db2.gz ASKWCVANZBJACO-UGKGYDQZSA-N 0 0 443.410 6.037 50 30 IKEARN C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000000755584 557170022 /nfs/dbraw/zinc/17/00/22/557170022.db2.gz ASKWCVANZBJACO-KNQAVFIVSA-N 0 0 443.410 6.037 50 30 IKEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC000024864041 557174870 /nfs/dbraw/zinc/17/48/70/557174870.db2.gz MQLAEUKIRXKDTM-UHFFFAOYSA-N 0 0 432.593 5.753 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1 ZINC000009329110 557187645 /nfs/dbraw/zinc/18/76/45/557187645.db2.gz ZAPOLNZUDKAKKH-AWEZNQCLSA-N 0 0 439.566 5.070 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1 ZINC000100856227 557192800 /nfs/dbraw/zinc/19/28/00/557192800.db2.gz FPAHKPIGHJWKQI-PYCFMQQDSA-N 0 0 440.634 6.654 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000100856724 557192856 /nfs/dbraw/zinc/19/28/56/557192856.db2.gz OJTZFKCXMUKUKM-XLNRJJMWSA-N 0 0 443.609 6.971 50 30 IKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100874363 557196792 /nfs/dbraw/zinc/19/67/92/557196792.db2.gz FXVRRDCUKZTIBE-ATJXCDBQSA-N 0 0 429.383 5.690 50 30 IKEARN CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(C)CCC#N)c1=S ZINC000025157298 557197283 /nfs/dbraw/zinc/19/72/83/557197283.db2.gz ZJBMDTJOTAMIQY-UHFFFAOYSA-N 0 0 425.989 5.650 50 30 IKEARN Fc1cccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)c1 ZINC000100915908 557201600 /nfs/dbraw/zinc/20/16/00/557201600.db2.gz XWPSYXLBXQCZBR-BRPDVVIDSA-N 0 0 429.442 6.638 50 30 IKEARN CCCCCCCc1ccc(-c2c3c(nc(/C=C/N(C)C)c2C#N)-c2ccccc2C3=O)cc1 ZINC000100916134 557201676 /nfs/dbraw/zinc/20/16/76/557201676.db2.gz RKKPDGNHCPTFHE-VHEBQXMUSA-N 0 0 449.598 6.877 50 30 IKEARN COc1cccc(NC=Cc2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 ZINC000100922343 557202038 /nfs/dbraw/zinc/20/20/38/557202038.db2.gz XMJADWCYIUFSKA-BUHFOSPRSA-N 0 0 447.469 6.062 50 30 IKEARN CCCCCCCCCCOc1ccc(-c2c(=O)n(OCC)c3ccccc3[n+]2[O-])cc1 ZINC000100931110 557202797 /nfs/dbraw/zinc/20/27/97/557202797.db2.gz LVUXJFGBLKYUHT-UHFFFAOYSA-N 0 0 438.568 5.270 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000792612 557203472 /nfs/dbraw/zinc/20/34/72/557203472.db2.gz TZQLJEPCNXUWFA-LVXARBLLSA-N 0 0 442.559 5.319 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(Br)o3)C(=O)N2CC(C)C)cc1 ZINC000096936319 557206584 /nfs/dbraw/zinc/20/65/84/557206584.db2.gz HNSQPHVTLBICIO-PMDYYOJLSA-N 0 0 435.343 5.311 50 30 IKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000100959261 557207486 /nfs/dbraw/zinc/20/74/86/557207486.db2.gz MAQLHZHVAMOQLB-UHFFFAOYSA-N 0 0 429.004 6.853 50 30 IKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(=O)OC)cc2)c2nc3ccccc3o2)cc1 ZINC000011614477 557209007 /nfs/dbraw/zinc/20/90/07/557209007.db2.gz MQZYHEQYODWQPD-ZYQGRCJCSA-N 0 0 439.467 5.950 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2[C@@H]1CC=CCC1 ZINC000169678647 557209861 /nfs/dbraw/zinc/20/98/61/557209861.db2.gz SBXTZUYFCSRDJV-NFQMXDRXSA-N 0 0 447.623 5.299 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1 ZINC000100994989 557212079 /nfs/dbraw/zinc/21/20/79/557212079.db2.gz YQCWKEPWROTOBZ-MEFGMAGPSA-N 0 0 447.619 7.674 50 30 IKEARN COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1 ZINC000025514846 557212795 /nfs/dbraw/zinc/21/27/95/557212795.db2.gz SOBZMVGVFNGCRI-VUTHCHCSSA-N 0 0 443.591 5.043 50 30 IKEARN COc1ccccc1/N=C1/c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O ZINC000101002688 557213302 /nfs/dbraw/zinc/21/33/02/557213302.db2.gz YLNFZQMYLJAABO-OHYPFYFLSA-N 0 0 439.559 5.075 50 30 IKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000025558042 557214112 /nfs/dbraw/zinc/21/41/12/557214112.db2.gz HRXWNCLWJRTBKL-FZSIALSZSA-N 0 0 440.948 6.127 50 30 IKEARN COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)SC2=S)cc1 ZINC000015012035 557215075 /nfs/dbraw/zinc/21/50/75/557215075.db2.gz DOLWQDHBWDPZEW-CIAFOILYSA-N 0 0 432.526 5.228 50 30 IKEARN Cc1cccc(C(=O)N[C@H](NC(=S)N=C2CCCCCC2)C(Cl)(Cl)Cl)c1 ZINC000025579564 557215958 /nfs/dbraw/zinc/21/59/58/557215958.db2.gz ZTQKUTFMPHGORH-MRXNPFEDSA-N 0 0 434.820 5.091 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 ZINC000097464907 557218819 /nfs/dbraw/zinc/21/88/19/557218819.db2.gz WXWAAZQLYYRCHU-HLTANSAUSA-N 0 0 440.565 5.507 50 30 IKEARN O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C\c1ccc(Br)cc1 ZINC000008648670 557224632 /nfs/dbraw/zinc/22/46/32/557224632.db2.gz HXRSOYCNABLYMF-UNZYHPAISA-N 0 0 432.155 6.432 50 30 IKEARN CN1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 ZINC000025761639 557224872 /nfs/dbraw/zinc/22/48/72/557224872.db2.gz AXNTZYSTRSDTCJ-QHKWOANTSA-N 0 0 427.158 6.282 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013694 557225018 /nfs/dbraw/zinc/22/50/18/557225018.db2.gz UOLSNFLKQATORM-XMMPIXPASA-N 0 0 432.539 5.631 50 30 IKEARN CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000100074173 557227885 /nfs/dbraw/zinc/22/78/85/557227885.db2.gz GCTCBFOUTJMSHD-MFKUBSTISA-N 0 0 437.517 5.231 50 30 IKEARN CC(C)(C)c1ccc(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000100074622 557227920 /nfs/dbraw/zinc/22/79/20/557227920.db2.gz PAYUITOJEPHAFL-FOCLMDBBSA-N 0 0 437.942 7.164 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)S/C1=N/c1ccc(OC)cc1 ZINC000101081407 557230021 /nfs/dbraw/zinc/23/00/21/557230021.db2.gz GCOMRJCXIGJCTA-HLTANSAUSA-N 0 0 440.565 5.507 50 30 IKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000097950717 557230687 /nfs/dbraw/zinc/23/06/87/557230687.db2.gz PXWLNWWENDKUQZ-MRXNPFEDSA-N 0 0 438.852 5.454 50 30 IKEARN CCCCCCCCCC(=O)N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097950791 557230719 /nfs/dbraw/zinc/23/07/19/557230719.db2.gz NUENIKSMRXNLSG-OAQYLSRUSA-N 0 0 443.846 7.205 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000097964547 557231029 /nfs/dbraw/zinc/23/10/29/557231029.db2.gz XWQOACQKCFUJMI-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN CCCCCCCCCCCCOc1ccc(OCCCCCCCCCCC)cc1 ZINC000097976940 557231214 /nfs/dbraw/zinc/23/12/14/557231214.db2.gz BHWQWWYHQZVKCP-UHFFFAOYSA-N 0 0 432.733 9.896 50 30 IKEARN CCCCCCCCCCCNc1c(CCCCC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000098050307 557232613 /nfs/dbraw/zinc/23/26/13/557232613.db2.gz ZEEQWLAUCKRMRY-UHFFFAOYSA-N 0 0 446.683 8.343 50 30 IKEARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(F)cccc1Cl)C1C(=O)c3ccccc3C1=N2 ZINC000018090058 557235034 /nfs/dbraw/zinc/23/50/34/557235034.db2.gz VAYGHDRGUSXLBB-NRFANRHFSA-N 0 0 442.881 5.533 50 30 IKEARN CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100003529 557236577 /nfs/dbraw/zinc/23/65/77/557236577.db2.gz DBPFAJNWKCOZOA-LJQANCHMSA-N 0 0 447.915 5.107 50 30 IKEARN CC1(C)CC(=O)C(C(c2cccc(C(F)(F)F)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100023890 557237642 /nfs/dbraw/zinc/23/76/42/557237642.db2.gz TVQRBQCRQCJQFS-LJQANCHMSA-N 0 0 436.470 5.565 50 30 IKEARN CCc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950868 557237993 /nfs/dbraw/zinc/23/79/93/557237993.db2.gz GMRXDLCFEYFLMK-UHFFFAOYSA-N 0 0 425.456 5.177 50 30 IKEARN CCc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950854 557239067 /nfs/dbraw/zinc/23/90/67/557239067.db2.gz RPYNPFGZSBVUPW-UHFFFAOYSA-N 0 0 435.520 5.655 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000026458887 557241575 /nfs/dbraw/zinc/24/15/75/557241575.db2.gz ZVGPQTYFCIDOCY-HSZRJFAPSA-N 0 0 449.478 5.329 50 30 IKEARN CCN(CC)C(=S)SC/C(=N/N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000018192320 557247050 /nfs/dbraw/zinc/24/70/50/557247050.db2.gz OAAMKNVORXRUGC-LCUIJRPUSA-N 0 0 433.646 6.589 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000018195186 557247654 /nfs/dbraw/zinc/24/76/54/557247654.db2.gz XMGNDLKGRYGTTB-ODCWNRFASA-N 0 0 440.524 5.834 50 30 IKEARN O=c1[nH][nH]c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196299 557247976 /nfs/dbraw/zinc/24/79/76/557247976.db2.gz ODBVGGMSUOTQOO-XYZCENFISA-N 0 0 432.332 5.442 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Cl)c1Cl ZINC000018195708 557247998 /nfs/dbraw/zinc/24/79/98/557247998.db2.gz BTSCACKNJHAWSW-KRWDZBQOSA-N 0 0 426.303 5.037 50 30 IKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018196672 557248429 /nfs/dbraw/zinc/24/84/29/557248429.db2.gz LCNYUJAGWVECER-QHCPKHFHSA-N 0 0 431.967 6.343 50 30 IKEARN COc1cc2c(cc1OC)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000018197157 557248825 /nfs/dbraw/zinc/24/88/25/557248825.db2.gz IJBQHCMRVOKICQ-SANMLTNESA-N 0 0 427.500 6.061 50 30 IKEARN CC(C)(C)c1cc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000018200389 557249031 /nfs/dbraw/zinc/24/90/31/557249031.db2.gz SSCBFLWVNGUNQZ-SFHVURJKSA-N 0 0 437.584 5.617 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000018197987 557250086 /nfs/dbraw/zinc/25/00/86/557250086.db2.gz URQJYBWTKMYXPV-OSPHWJPCSA-N 0 0 440.528 5.548 50 30 IKEARN C=CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccccc1 ZINC000018250943 557253871 /nfs/dbraw/zinc/25/38/71/557253871.db2.gz HPFYZQPTDZCVOU-UHFFFAOYSA-N 0 0 436.540 5.791 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 ZINC000027019107 557254600 /nfs/dbraw/zinc/25/46/00/557254600.db2.gz PDQSCKRBPKFUEK-LTGZKZEYSA-N 0 0 428.444 5.948 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000101104139 557255604 /nfs/dbraw/zinc/25/56/04/557255604.db2.gz RTKMTWAHZZSDBE-YDJIHCHBSA-N 0 0 434.289 5.075 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOCCCCCCCC)cc1 ZINC000100283776 557256537 /nfs/dbraw/zinc/25/65/37/557256537.db2.gz KAKUBYTYCKREAF-UHFFFAOYSA-N 0 0 448.692 7.705 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000100345966 557258011 /nfs/dbraw/zinc/25/80/11/557258011.db2.gz JUPPCYMDCKUKNV-JOPVOSQUSA-N 0 0 429.447 5.017 50 30 IKEARN O=c1[nH]c2ccc(/N=C/c3c(OCc4ccccc4Cl)ccc4ccccc43)cc2[nH]1 ZINC000100384201 557259455 /nfs/dbraw/zinc/25/94/55/557259455.db2.gz GGTYASFKJZIJPA-MZJWZYIUSA-N 0 0 427.891 5.992 50 30 IKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=N)S1 ZINC000101144478 557261948 /nfs/dbraw/zinc/26/19/48/557261948.db2.gz MUPAGQNIADXBRY-JUIDXRIDSA-N 0 0 447.608 6.074 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3sc(-c4ccc(Cl)cc4)nc3c2)ccc1Cl ZINC000100503038 557262767 /nfs/dbraw/zinc/26/27/67/557262767.db2.gz ZMPNGLHGFGEGBT-FOKLQQMPSA-N 0 0 428.300 6.929 50 30 IKEARN C#CCN(Cc1cccnc1)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC000072270422 557263221 /nfs/dbraw/zinc/26/32/21/557263221.db2.gz BCHRXCPBCZCWRK-UHFFFAOYSA-N 0 0 437.446 5.026 50 30 IKEARN CC(C)/C(Cl)=N\OC(NC(=O)Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000101206259 557263252 /nfs/dbraw/zinc/26/32/52/557263252.db2.gz HPVCXYRREWTUER-KIBLKLHPSA-N 0 0 440.171 5.507 50 30 IKEARN O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000027527966 557263451 /nfs/dbraw/zinc/26/34/51/557263451.db2.gz QNJCHTIBPTZZFL-JLPGSUDCSA-N 0 0 439.898 6.417 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F ZINC000100557858 557264579 /nfs/dbraw/zinc/26/45/79/557264579.db2.gz MWMIJAWLJKOUTF-IQGLISFBSA-N 0 0 449.522 5.149 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccccc1 ZINC000100563245 557264789 /nfs/dbraw/zinc/26/47/89/557264789.db2.gz FNNVCCZQMAKZSJ-JTZITEQJSA-N 0 0 442.518 5.724 50 30 IKEARN COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000027547208 557265171 /nfs/dbraw/zinc/26/51/71/557265171.db2.gz FMXAVHXMSUUXJW-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(OCC)c(OCC)c3)o2)CC1 ZINC000027562609 557265564 /nfs/dbraw/zinc/26/55/64/557265564.db2.gz WFNUNUCZAOCTER-WPWMEQJKSA-N 0 0 438.572 6.254 50 30 IKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000100611972 557265906 /nfs/dbraw/zinc/26/59/06/557265906.db2.gz PFQDBCCUCKOIFO-MRXNPFEDSA-N 0 0 438.852 5.454 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000101285123 557267650 /nfs/dbraw/zinc/26/76/50/557267650.db2.gz JANBXKXHEXURSZ-HSZRJFAPSA-N 0 0 437.971 6.492 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl ZINC000101285124 557267691 /nfs/dbraw/zinc/26/76/91/557267691.db2.gz JANBXKXHEXURSZ-QHCPKHFHSA-N 0 0 437.971 6.492 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000011021911 557269171 /nfs/dbraw/zinc/26/91/71/557269171.db2.gz JPMOLIKQJUFYDQ-ZDUSSCGKSA-N 0 0 432.471 5.456 50 30 IKEARN CCCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000100701490 557270460 /nfs/dbraw/zinc/27/04/60/557270460.db2.gz SXWWQCAJLZCQPW-CZIZESTLSA-N 0 0 432.593 5.881 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O ZINC000100700069 557270533 /nfs/dbraw/zinc/27/05/33/557270533.db2.gz BKWIMUORHSANHY-UHFFFAOYSA-N 0 0 439.684 8.537 50 30 IKEARN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100717219 557271155 /nfs/dbraw/zinc/27/11/55/557271155.db2.gz IXJOWDDYUDDZQR-SIHNDCSESA-N 0 0 445.544 5.250 50 30 IKEARN Cc1ccccc1CSc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1 ZINC000027750314 557273129 /nfs/dbraw/zinc/27/31/29/557273129.db2.gz FNFWLXVAHQQESR-UHFFFAOYSA-N 0 0 449.985 6.782 50 30 IKEARN CCCCCCCCCCCCCCN1C(=N)N(S(=O)(=O)c2ccc(C)cc2)CC1=O ZINC000100743691 557274324 /nfs/dbraw/zinc/27/43/24/557274324.db2.gz SQYGHYYIRCDVCP-UHFFFAOYSA-N 0 0 449.661 5.464 50 30 IKEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 ZINC000008431763 557275791 /nfs/dbraw/zinc/27/57/91/557275791.db2.gz OSOWLGLZNFHGQW-CKLBMXLLSA-N 0 0 432.387 5.211 50 30 IKEARN CCCCCCCCCCCCCCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)n1C ZINC000100815700 557276602 /nfs/dbraw/zinc/27/66/02/557276602.db2.gz SOLBBIIGNGDIEL-UHFFFAOYSA-N 0 0 429.605 6.718 50 30 IKEARN Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000100822326 557276995 /nfs/dbraw/zinc/27/69/95/557276995.db2.gz BGOWMRGDUSUEFJ-MOHJPFBDSA-N 0 0 442.949 5.080 50 30 IKEARN Cc1cc(C)c(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 ZINC000100822303 557277008 /nfs/dbraw/zinc/27/70/08/557277008.db2.gz XEGZIPBMXLGSNW-PLRJNAJWSA-N 0 0 436.558 5.044 50 30 IKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000100857605 557277511 /nfs/dbraw/zinc/27/75/11/557277511.db2.gz YNSPXKZBIVDTNI-UHFFFAOYSA-N 0 0 431.086 6.837 50 30 IKEARN CCCCCCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000100871959 557277726 /nfs/dbraw/zinc/27/77/26/557277726.db2.gz BFDPYDCFLVDGIG-NKFKGCMQSA-N 0 0 443.678 7.128 50 30 IKEARN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100959287 557280062 /nfs/dbraw/zinc/28/00/62/557280062.db2.gz FJNMRFSIFOTQDI-SIHNDCSESA-N 0 0 443.528 5.054 50 30 IKEARN COc1ccc(C2CC(=O)C(=CNc3[nH]nc(C)c3-c3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000101020638 557281414 /nfs/dbraw/zinc/28/14/14/557281414.db2.gz HZMQEXCEKITZED-UHFFFAOYSA-N 0 0 435.911 5.059 50 30 IKEARN O=[N+]([O-])c1ccc(-c2cs/c(=N/N=C/c3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000101392706 557283188 /nfs/dbraw/zinc/28/31/88/557283188.db2.gz JLMUVDLPQNSKCY-ZUOQFLAMSA-N 0 0 434.908 5.702 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)OC)c3)o2)S/C1=N/c1ccccc1 ZINC000101391131 557283212 /nfs/dbraw/zinc/28/32/12/557283212.db2.gz QWXOSSDPZIQZOJ-KWZOLKRCSA-N 0 0 432.501 5.357 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2Br)cc1 ZINC000101439331 557285416 /nfs/dbraw/zinc/28/54/16/557285416.db2.gz CMXLQZVYZIWOSG-HYARGMPZSA-N 0 0 429.339 5.309 50 30 IKEARN CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S/C1=N/c1ccccc1 ZINC000101506592 557290164 /nfs/dbraw/zinc/29/01/64/557290164.db2.gz DVEURUIBUFCIJC-GOESLVMASA-N 0 0 425.513 5.371 50 30 IKEARN C=CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccccc2)cs1 ZINC000014055186 557292284 /nfs/dbraw/zinc/29/22/84/557292284.db2.gz XSKLPHGWIIFICY-UHFFFAOYSA-N 0 0 444.560 5.387 50 30 IKEARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#N)c3)c12 ZINC000014066447 557293218 /nfs/dbraw/zinc/29/32/18/557293218.db2.gz JKOJCNZNYVYKHS-UHFFFAOYSA-N 0 0 429.483 5.520 50 30 IKEARN CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)O1 ZINC000100098944 557293829 /nfs/dbraw/zinc/29/38/29/557293829.db2.gz LRYWPGGNVAJLHF-BUANEPLZSA-N 0 0 443.930 6.981 50 30 IKEARN CCOc1cc2c(cc1/C=C1/S/C(=N/c3ccccc3)N(Cc3ccco3)C1=O)OCO2 ZINC000101639758 557294473 /nfs/dbraw/zinc/29/44/73/557294473.db2.gz ROUYAPDUUUROKS-HPVIMXLTSA-N 0 0 448.500 5.211 50 30 IKEARN CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccccc1 ZINC000101635858 557294588 /nfs/dbraw/zinc/29/45/88/557294588.db2.gz BRYNBLNOQPNQEA-SGXAETBLSA-N 0 0 436.508 5.726 50 30 IKEARN C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc32)nnc1C1CCCCC1 ZINC000014069092 557297271 /nfs/dbraw/zinc/29/72/71/557297271.db2.gz RPGIOVUKWCYEEQ-SFHVURJKSA-N 0 0 434.609 5.635 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@H]2c1ccco1 ZINC000102001091 557298021 /nfs/dbraw/zinc/29/80/21/557298021.db2.gz PKBRESAPLDCYQM-LOSJGSFVSA-N 0 0 440.499 5.765 50 30 IKEARN CCCCCCCCCC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1 ZINC000102078990 557298551 /nfs/dbraw/zinc/29/85/51/557298551.db2.gz AYVPSHFJZDNOFB-XMMPIXPASA-N 0 0 449.595 5.818 50 30 IKEARN COc1cc(C(=O)Oc2ccccc2C#N)cc(Br)c1OCc1ccccc1 ZINC000014129245 557308687 /nfs/dbraw/zinc/30/86/87/557308687.db2.gz ZWNKKVHMQXOYLU-UHFFFAOYSA-N 0 0 438.277 5.128 50 30 IKEARN O=C(Nc1ccccc1Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000102057036 557312105 /nfs/dbraw/zinc/31/21/05/557312105.db2.gz MICZWXFZPABAQO-UHFFFAOYSA-N 0 0 435.620 5.177 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Br)cc1)CCC3 ZINC000002910919 557312197 /nfs/dbraw/zinc/31/21/97/557312197.db2.gz JABQEGXCWMLUIC-UHFFFAOYSA-N 0 0 433.396 5.188 50 30 IKEARN C=CCOc1c(I)cc(CNc2cc(Cl)ccc2C)cc1OC ZINC000002838275 557312503 /nfs/dbraw/zinc/31/25/03/557312503.db2.gz KCEDJYXLUYSYDD-UHFFFAOYSA-N 0 0 443.712 5.439 50 30 IKEARN C=CCn1c(SCc2ccccc2Br)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000002836340 557313058 /nfs/dbraw/zinc/31/30/58/557313058.db2.gz UUJOTYKWNGAXFM-UHFFFAOYSA-N 0 0 431.315 5.094 50 30 IKEARN C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccccc3Cl)c2c1=O ZINC000002889179 557313479 /nfs/dbraw/zinc/31/34/79/557313479.db2.gz HJIKWMHYPMYNGM-UHFFFAOYSA-N 0 0 446.022 6.022 50 30 IKEARN Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000014183617 557314216 /nfs/dbraw/zinc/31/42/16/557314216.db2.gz AEGNEWZDVWDISL-AWEZNQCLSA-N 0 0 438.578 5.366 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 ZINC000002874276 557314415 /nfs/dbraw/zinc/31/44/15/557314415.db2.gz KISTUDHVAUUGKV-OAQYLSRUSA-N 0 0 448.935 6.233 50 30 IKEARN COc1cc(/C=N/c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103752169 557318226 /nfs/dbraw/zinc/31/82/26/557318226.db2.gz BGZCUHUTJGQSQM-WSDLNYQXSA-N 0 0 427.800 5.708 50 30 IKEARN COc1ccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943218 557318910 /nfs/dbraw/zinc/31/89/10/557318910.db2.gz WZFZZRJARPKBBR-UHFFFAOYSA-N 0 0 444.510 5.065 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102401973 557320910 /nfs/dbraw/zinc/32/09/10/557320910.db2.gz KSLNEJOAAJBDPU-ULWNEYHBSA-N 0 0 425.528 5.474 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102401902 557321108 /nfs/dbraw/zinc/32/11/08/557321108.db2.gz MXMUOWKXALQQEG-JBCNATCCSA-N 0 0 432.545 5.510 50 30 IKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(CC(=O)OCC)c1=N ZINC000102465847 557323557 /nfs/dbraw/zinc/32/35/57/557323557.db2.gz JHFUICPMGVSGIF-UHFFFAOYSA-N 0 0 443.676 6.967 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102488872 557331938 /nfs/dbraw/zinc/33/19/38/557331938.db2.gz LKMVSRQHPNWMJA-OBVHCKHUSA-N 0 0 444.512 5.441 50 30 IKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@@H](c2ccccc2)CC1=O ZINC000100138549 557332847 /nfs/dbraw/zinc/33/28/47/557332847.db2.gz WIHOITWLAPDKRG-JOCHJYFZSA-N 0 0 442.603 6.077 50 30 IKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)CCCC1=O ZINC000100139562 557333326 /nfs/dbraw/zinc/33/33/26/557333326.db2.gz KDZWEMBFYGJDBW-UHFFFAOYSA-N 0 0 436.474 5.273 50 30 IKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc32)C[C@H](c2ccccc2)CC1=O ZINC000100139599 557333368 /nfs/dbraw/zinc/33/33/68/557333368.db2.gz JXMYHPMGFACJMR-NRFANRHFSA-N 0 0 428.576 5.769 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000100145067 557334543 /nfs/dbraw/zinc/33/45/43/557334543.db2.gz WUAROROZZYANGT-RLMNYEENSA-N 0 0 429.903 5.831 50 30 IKEARN CCOc1ccc(CC(=O)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1OCC ZINC000100147583 557335138 /nfs/dbraw/zinc/33/51/38/557335138.db2.gz QMBPVCIELMAIIZ-UHFFFAOYSA-N 0 0 435.564 5.029 50 30 IKEARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccccc2C#N)cc1 ZINC000014360758 557335631 /nfs/dbraw/zinc/33/56/31/557335631.db2.gz AGUMOCRCRHFJFB-UHFFFAOYSA-N 0 0 428.517 5.027 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102501023 557338247 /nfs/dbraw/zinc/33/82/47/557338247.db2.gz VEXIJUURWJQFRF-JBCNATCCSA-N 0 0 444.487 5.370 50 30 IKEARN CC(C)(C)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000023330195 557340562 /nfs/dbraw/zinc/34/05/62/557340562.db2.gz ZYWDROTZSXDWDA-UHFFFAOYSA-N 0 0 430.552 5.356 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cccs4)C(=O)O3)cc2)cc1 ZINC000100166163 557340594 /nfs/dbraw/zinc/34/05/94/557340594.db2.gz HTZZAPCWHPWGND-QOMWVZHYSA-N 0 0 443.612 7.663 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102536701 557345646 /nfs/dbraw/zinc/34/56/46/557345646.db2.gz MZSMBVNVHXRFAN-XZIUATRESA-N 0 0 439.939 5.064 50 30 IKEARN CCCCCCCNC(CC)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100171816 557347126 /nfs/dbraw/zinc/34/71/26/557347126.db2.gz IUGPJQFYFLHJNY-VKAVYKQESA-N 0 0 438.519 5.785 50 30 IKEARN COc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100179990 557348310 /nfs/dbraw/zinc/34/83/10/557348310.db2.gz RSAOEYAJYLAAKS-ZVHZXABRSA-N 0 0 431.473 5.850 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000102542079 557348424 /nfs/dbraw/zinc/34/84/24/557348424.db2.gz PSLUQRXRSBXHTG-MRJHHRETSA-N 0 0 444.487 5.370 50 30 IKEARN C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(CC)cc2)cc1 ZINC000023435569 557354243 /nfs/dbraw/zinc/35/42/43/557354243.db2.gz FPXJRZLSRXGBID-UHFFFAOYSA-N 0 0 443.547 5.093 50 30 IKEARN C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(Cl)cc2)cc1 ZINC000023438077 557354665 /nfs/dbraw/zinc/35/46/65/557354665.db2.gz MSXLRPOXFSCDNN-UHFFFAOYSA-N 0 0 449.938 5.184 50 30 IKEARN O=C(NCCF)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000023433427 557355944 /nfs/dbraw/zinc/35/59/44/557355944.db2.gz ZXOHFWAEULEKNJ-UHFFFAOYSA-N 0 0 445.338 5.276 50 30 IKEARN COc1cc2c(cc1OC)[C@H](CC#N)N(C(=O)c1sc3cc(F)ccc3c1Cl)CC2 ZINC000023450807 557356877 /nfs/dbraw/zinc/35/68/77/557356877.db2.gz IZCHXABDGJZTPY-INIZCTEOSA-N 0 0 444.915 5.364 50 30 IKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000102595109 557357241 /nfs/dbraw/zinc/35/72/41/557357241.db2.gz RWRNKYRPZNKWEG-VZGYBGPVSA-N 0 0 425.484 5.268 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000102601961 557357773 /nfs/dbraw/zinc/35/77/73/557357773.db2.gz YDXOPOBKOOSCBJ-MOBKVPTQSA-N 0 0 432.907 5.032 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000102601957 557357776 /nfs/dbraw/zinc/35/77/76/557357776.db2.gz YDXOPOBKOOSCBJ-HOGKFDNTSA-N 0 0 432.907 5.032 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102601609 557357804 /nfs/dbraw/zinc/35/78/04/557357804.db2.gz PGFHTKZSXLUQRR-AYWGPLOBSA-N 0 0 431.919 5.313 50 30 IKEARN CCCCCCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21 ZINC000102560359 557358909 /nfs/dbraw/zinc/35/89/09/557358909.db2.gz PHLZTCZCSPTVNT-SANMLTNESA-N 0 0 431.580 5.498 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000102624464 557360053 /nfs/dbraw/zinc/36/00/53/557360053.db2.gz BYABYNRGWUNXIM-MOBKVPTQSA-N 0 0 431.875 5.169 50 30 IKEARN COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)n2)c1 ZINC000023460686 557360615 /nfs/dbraw/zinc/36/06/15/557360615.db2.gz JKDPMDLCKJZGMV-UHFFFAOYSA-N 0 0 435.483 5.557 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2Cc1ccccc1 ZINC000023457209 557362995 /nfs/dbraw/zinc/36/29/95/557362995.db2.gz OEXSCLCFWBDPLB-UHFFFAOYSA-N 0 0 427.529 5.425 50 30 IKEARN CCCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000102642287 557363391 /nfs/dbraw/zinc/36/33/91/557363391.db2.gz SXWWQCAJLZCQPW-ZZEZOPTASA-N 0 0 432.593 5.881 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102709957 557367577 /nfs/dbraw/zinc/36/75/77/557367577.db2.gz CIASECJJAFKZNO-JBCNATCCSA-N 0 0 436.895 5.386 50 30 IKEARN C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102681580 557368544 /nfs/dbraw/zinc/36/85/44/557368544.db2.gz SDKUGTDDYYBFSW-AHWVRZQESA-N 0 0 446.934 6.156 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102720582 557368825 /nfs/dbraw/zinc/36/88/25/557368825.db2.gz CZGHKPKGYRKNFM-MOBKVPTQSA-N 0 0 440.524 5.485 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 ZINC000102721271 557368896 /nfs/dbraw/zinc/36/88/96/557368896.db2.gz DRSYIQCDSLXEDX-JBCNATCCSA-N 0 0 444.512 5.386 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102728708 557370575 /nfs/dbraw/zinc/37/05/75/557370575.db2.gz YQYVRQNEOWQWCO-ZHHPLPSFSA-N 0 0 442.471 5.479 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102732777 557372140 /nfs/dbraw/zinc/37/21/40/557372140.db2.gz COKJKTOCEYAQRT-ZHHPLPSFSA-N 0 0 446.503 5.131 50 30 IKEARN Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102799347 557389361 /nfs/dbraw/zinc/38/93/61/557389361.db2.gz OGZVJXQLZSJEIL-SELCWUDQSA-N 0 0 442.899 5.179 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102874858 557396457 /nfs/dbraw/zinc/39/64/57/557396457.db2.gz RWZHOZJUQOQWQP-YDJIHCHBSA-N 0 0 439.298 5.010 50 30 IKEARN COC(=O)c1ccccc1CSc1nsc(C=CNc2ccc(Cl)cc2)c1C#N ZINC000100277824 557396718 /nfs/dbraw/zinc/39/67/18/557396718.db2.gz YSOVOWPNXDXPKE-ZHACJKMWSA-N 0 0 441.965 5.830 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1OC ZINC000100290566 557398341 /nfs/dbraw/zinc/39/83/41/557398341.db2.gz AZMIHVADQVAYIW-IZHYLOQSSA-N 0 0 431.517 5.489 50 30 IKEARN COc1cccc(-c2onc3ccc(C(=O)C=CNc4cc(OC)cc(OC)c4)cc32)c1 ZINC000100368708 557400887 /nfs/dbraw/zinc/40/08/87/557400887.db2.gz WTMKUWNWHRAHJS-MDZDMXLPSA-N 0 0 430.460 5.329 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102860765 557401489 /nfs/dbraw/zinc/40/14/89/557401489.db2.gz AMFJTEDWTWCDRX-YDJIHCHBSA-N 0 0 446.553 5.601 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102860768 557401614 /nfs/dbraw/zinc/40/16/14/557401614.db2.gz AMFJTEDWTWCDRX-NHFXJNLRSA-N 0 0 446.553 5.601 50 30 IKEARN N#Cc1c(C=CNc2ccccc2)snc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000100408578 557401775 /nfs/dbraw/zinc/40/17/75/557401775.db2.gz WLACFGSAVVFSGN-VOTSOKGWSA-N 0 0 438.887 6.316 50 30 IKEARN FC(F)(F)c1cccc(NN=C2c3ccccc3N=C2SCc2ccc(Cl)cc2)c1 ZINC000100408130 557401888 /nfs/dbraw/zinc/40/18/88/557401888.db2.gz CUBMUTBLSJLTFF-BRPDVVIDSA-N 0 0 445.897 7.152 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100393350 557401903 /nfs/dbraw/zinc/40/19/03/557401903.db2.gz WHAQREIOMFWERS-ORVWWNJKSA-N 0 0 431.388 6.930 50 30 IKEARN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000100418347 557402110 /nfs/dbraw/zinc/40/21/10/557402110.db2.gz RHNBOPXMKPWIMT-OUKQBFOZSA-N 0 0 449.831 6.885 50 30 IKEARN O=C(C=CNc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000100401629 557402152 /nfs/dbraw/zinc/40/21/52/557402152.db2.gz UDFZBKMPPRVBTD-VAWYXSNFSA-N 0 0 432.734 7.034 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)sc1C ZINC000102864502 557404013 /nfs/dbraw/zinc/40/40/13/557404013.db2.gz CTHXWBFZDBUQQK-LFVOPCPISA-N 0 0 438.936 5.348 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000102882303 557408354 /nfs/dbraw/zinc/40/83/54/557408354.db2.gz RNPXVCHPKMMSBO-IVZQSRNASA-N 0 0 427.887 6.469 50 30 IKEARN O=S(=O)(/N=C(\N=C(/Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000100488368 557409933 /nfs/dbraw/zinc/40/99/33/557409933.db2.gz KSAJPVALNWFCIF-VMLCCZMXSA-N 0 0 440.524 5.348 50 30 IKEARN CCCCCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F ZINC000100497645 557410512 /nfs/dbraw/zinc/41/05/12/557410512.db2.gz VEZLMTOIDRDCMB-UHFFFAOYSA-N 0 0 427.648 8.920 50 30 IKEARN COc1c(Cl)cc(Cl)cc1C(=O)/C=C\c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000033587351 557414468 /nfs/dbraw/zinc/41/44/68/557414468.db2.gz GCFVKOAPCXXDLM-GHXNOFRVSA-N 0 0 440.326 6.459 50 30 IKEARN CCCCCCCCC(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2C)CC1 ZINC000102996130 557414748 /nfs/dbraw/zinc/41/47/48/557414748.db2.gz KHMSLKQUJHSQLG-UHFFFAOYSA-N 0 0 426.580 5.299 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 ZINC000102996721 557415080 /nfs/dbraw/zinc/41/50/80/557415080.db2.gz GOUUSDDDVPVJFL-QHCPKHFHSA-N 0 0 443.588 5.299 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc(-c2csc(Nc3cccc(OC)c3)n2)c1 ZINC000102996822 557415120 /nfs/dbraw/zinc/41/51/20/557415120.db2.gz HLCAYNLNSSNUSH-UHFFFAOYSA-N 0 0 437.609 7.251 50 30 IKEARN CCCCCCCCCCCC(=O)N[C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000102999933 557415123 /nfs/dbraw/zinc/41/51/23/557415123.db2.gz AVZXDVYUGXMUGP-GOSISDBHSA-N 0 0 430.618 5.569 50 30 IKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(C)C ZINC000102997388 557415128 /nfs/dbraw/zinc/41/51/28/557415128.db2.gz SMRNLDHDKFCNBM-QHCPKHFHSA-N 0 0 434.621 5.165 50 30 IKEARN CCCCCCCCCC(=O)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000102998293 557415146 /nfs/dbraw/zinc/41/51/46/557415146.db2.gz NVXLWIXMNKCFSE-UHFFFAOYSA-N 0 0 440.632 5.674 50 30 IKEARN CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000102992334 557415666 /nfs/dbraw/zinc/41/56/66/557415666.db2.gz DTLGKSNFUUUAQX-UHFFFAOYSA-N 0 0 443.035 5.347 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@H](C)CC ZINC000102991038 557415711 /nfs/dbraw/zinc/41/57/11/557415711.db2.gz DILPGWNXQGHZIB-HSZRJFAPSA-N 0 0 440.628 5.839 50 30 IKEARN CCCCCCCC(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2ccccc2)CC1 ZINC000102992200 557415743 /nfs/dbraw/zinc/41/57/43/557415743.db2.gz DSOAEGFXJHEDBD-UHFFFAOYSA-N 0 0 436.644 5.337 50 30 IKEARN CCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC ZINC000102992748 557415756 /nfs/dbraw/zinc/41/57/56/557415756.db2.gz VMKWGLNLSUTWAM-JXFKEZNVSA-N 0 0 446.617 5.044 50 30 IKEARN CCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC ZINC000102992752 557415758 /nfs/dbraw/zinc/41/57/58/557415758.db2.gz VMKWGLNLSUTWAM-OXJNMPFZSA-N 0 0 446.617 5.044 50 30 IKEARN COc1cccc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1OC ZINC000103018635 557416398 /nfs/dbraw/zinc/41/63/98/557416398.db2.gz TWUOKPVJUXEASD-CIAFOILYSA-N 0 0 436.847 5.193 50 30 IKEARN COc1cccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)c1 ZINC000033628991 557425596 /nfs/dbraw/zinc/42/55/96/557425596.db2.gz XVPZVSNYEKASNZ-CPNJWEJPSA-N 0 0 445.471 5.286 50 30 IKEARN O=C1c2ccccc2C(NS(=O)(=O)c2ccc3ccccc3c2)=CC1=Nc1ccccc1 ZINC000103321453 557433869 /nfs/dbraw/zinc/43/38/69/557433869.db2.gz CTANWUOLWWTIQN-COOPMVRXSA-N 0 0 438.508 5.210 50 30 IKEARN Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1 ZINC000103746830 557441216 /nfs/dbraw/zinc/44/12/16/557441216.db2.gz KNMWUNAGRZAPMY-ROMGYVFFSA-N 0 0 447.581 5.662 50 30 IKEARN C/N=C1/S/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C ZINC000103781976 557441801 /nfs/dbraw/zinc/44/18/01/557441801.db2.gz NOGLDMOKBGVJSZ-LJCITQSSSA-N 0 0 425.312 5.243 50 30 IKEARN CCCCCCCCCCCCCCCCCC/N=C(\C)c1ccc2ccccc2c1O ZINC000103946147 557442817 /nfs/dbraw/zinc/44/28/17/557442817.db2.gz INGLVGYOCHRDMO-GKPLWNPISA-N 0 0 437.712 9.616 50 30 IKEARN CCOc1ccc(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccccc2)cc1 ZINC000104095070 557450111 /nfs/dbraw/zinc/45/01/11/557450111.db2.gz YXIBRHRUBIHCHQ-YZSQISJMSA-N 0 0 442.475 5.693 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000104155758 557451288 /nfs/dbraw/zinc/45/12/88/557451288.db2.gz JZRVPEZFYKMXSK-HOYKHHGWSA-N 0 0 437.926 6.876 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000104224666 557453476 /nfs/dbraw/zinc/45/34/76/557453476.db2.gz LTLUXBLODOXHJH-HOGKFDNTSA-N 0 0 446.934 5.659 50 30 IKEARN CCCCc1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 ZINC000100822128 557455370 /nfs/dbraw/zinc/45/53/70/557455370.db2.gz JKFBAZQYICBKLL-COOPMVRXSA-N 0 0 444.556 5.400 50 30 IKEARN C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000105023115 557473068 /nfs/dbraw/zinc/47/30/68/557473068.db2.gz CUBSDPUTKIWKAF-DFHRPNOPSA-N 0 0 440.587 5.212 50 30 IKEARN CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N/c1ccc(OC)cc1 ZINC000105976613 557512513 /nfs/dbraw/zinc/51/25/13/557512513.db2.gz PWIIMESHJDHVBA-LMDBJESCSA-N 0 0 447.354 5.090 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003167756 557531721 /nfs/dbraw/zinc/53/17/21/557531721.db2.gz VVDFNFCKGVKPNN-WSDLNYQXSA-N 0 0 425.784 5.126 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2cccc(Cl)c2)c1 ZINC000044858674 557537666 /nfs/dbraw/zinc/53/76/66/557537666.db2.gz GYQYCXPGEUMNCU-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 ZINC000044858878 557537929 /nfs/dbraw/zinc/53/79/29/557537929.db2.gz SBCWZBATADVKQB-DEOSSOPVSA-N 0 0 440.547 5.410 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn3[C@H]2c2ccccc2)C1 ZINC000044858820 557537957 /nfs/dbraw/zinc/53/79/57/557537957.db2.gz PBBYXVNTLFBFJX-QFIPXVFZSA-N 0 0 446.938 5.447 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CC(C)(C)CC(=O)C1[C@@H]2c1ccccc1 ZINC000044858893 557538001 /nfs/dbraw/zinc/53/80/01/557538001.db2.gz IYEXEVVZDYNOHH-QHCPKHFHSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2Cl)cc1C ZINC000044858937 557538016 /nfs/dbraw/zinc/53/80/16/557538016.db2.gz AZLORJPHXQEAOE-HSZRJFAPSA-N 0 0 446.938 5.428 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2cccc(Cl)c2)C1 ZINC000044858725 557538040 /nfs/dbraw/zinc/53/80/40/557538040.db2.gz MKCBYXVUQQJDHM-QFIPXVFZSA-N 0 0 446.938 5.447 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000044859236 557538501 /nfs/dbraw/zinc/53/85/01/557538501.db2.gz OOEODYTVDKWZEP-JOCHJYFZSA-N 0 0 446.938 5.447 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(Cl)cc2)cc1C ZINC000044859306 557538507 /nfs/dbraw/zinc/53/85/07/557538507.db2.gz PKLYIZKICICVOF-QHCPKHFHSA-N 0 0 446.938 5.428 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2C)cc1C ZINC000044859303 557538569 /nfs/dbraw/zinc/53/85/69/557538569.db2.gz IQQYHGCCJXZQCS-DEOSSOPVSA-N 0 0 426.520 5.083 50 30 IKEARN CC[C@@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000045940430 557548873 /nfs/dbraw/zinc/54/88/73/557548873.db2.gz ABKPMXPREWLUPG-MRXNPFEDSA-N 0 0 438.934 5.595 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NCc2ccncc2)cc1C ZINC000045940485 557549030 /nfs/dbraw/zinc/54/90/30/557549030.db2.gz ZOTAEQYSQQHWNV-UHFFFAOYSA-N 0 0 426.442 5.115 50 30 IKEARN CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2OCC)cc1 ZINC000045940603 557549041 /nfs/dbraw/zinc/54/90/41/557549041.db2.gz LGRVEVKXHCXLRQ-UHFFFAOYSA-N 0 0 446.551 5.057 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@](C)(CC)OC3 ZINC000002996558 557663122 /nfs/dbraw/zinc/66/31/22/557663122.db2.gz ANTFPOHXGSGTQX-QHCPKHFHSA-N 0 0 426.607 5.665 50 30 IKEARN C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002983960 557687118 /nfs/dbraw/zinc/68/71/18/557687118.db2.gz LXSMQPFOPBZPRT-LJQANCHMSA-N 0 0 436.621 5.966 50 30 IKEARN CN(C)c1ccc2c(c1)S/C(=C\C1=CC(=C3C(=O)c4ccccc4C3=O)CCC1)N2C ZINC000685944227 557839107 /nfs/dbraw/zinc/83/91/07/557839107.db2.gz DXHVINZQNLGCDG-UCQKPKSFSA-N 0 0 428.557 5.622 50 30 IKEARN CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Br)cc2)c1C#N ZINC000000874820 557847999 /nfs/dbraw/zinc/84/79/99/557847999.db2.gz HUXJCJGYPXSVPW-UHFFFAOYSA-N 0 0 438.350 5.665 50 30 IKEARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O ZINC000003874199 557852580 /nfs/dbraw/zinc/85/25/80/557852580.db2.gz DKHGMERMDICWDU-GHDNBGIDSA-N 0 0 444.659 8.918 50 30 aggregator,biogenic,investigational IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000004082884 560193348 /nfs/dbraw/zinc/19/33/48/560193348.db2.gz FVWJYYTZTCVBKE-MEBXIWODSA-N 0 0 442.728 6.997 50 30 biogenic,in-vitro IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000000702609 562918981 /nfs/dbraw/zinc/91/89/81/562918981.db2.gz MVCVIBZAIIIDLV-FQEVSTJZSA-N 0 0 433.533 5.061 50 30 IKEARN CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000001026809 562920040 /nfs/dbraw/zinc/92/00/40/562920040.db2.gz VMADYBYSWYURDQ-UHFFFAOYSA-N 0 0 431.561 5.256 50 30 IKEARN N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001071667 562920287 /nfs/dbraw/zinc/92/02/87/562920287.db2.gz RWKGLAAFPMCMRK-UHFFFAOYSA-N 0 0 435.439 5.032 50 30 aggregator IKEARN COc1ccc(-c2c(C#N)c(SCc3c(C)noc3C)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000001100401 562920516 /nfs/dbraw/zinc/92/05/16/562920516.db2.gz LLHHUUGBNBINEI-UHFFFAOYSA-N 0 0 447.560 5.681 50 30 IKEARN C#CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000001392069 562921657 /nfs/dbraw/zinc/92/16/57/562921657.db2.gz GQOMALJFAKJXAC-UHFFFAOYSA-N 0 0 426.541 5.133 50 30 aggregator IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCC)N(C(C)=O)c1ccccc1-2 ZINC000002113704 562925906 /nfs/dbraw/zinc/92/59/06/562925906.db2.gz URRABKAIJCGFKU-QHCPKHFHSA-N 0 0 448.548 5.050 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3 ZINC000002208308 562926320 /nfs/dbraw/zinc/92/63/20/562926320.db2.gz FAJNVYNERQZVOQ-QHCPKHFHSA-N 0 0 426.607 5.416 50 30 IKEARN Cc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)cc1 ZINC000002350751 562927089 /nfs/dbraw/zinc/92/70/89/562927089.db2.gz FOOCXBBDHXDBNZ-UHFFFAOYSA-N 0 0 426.545 5.627 50 30 IKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCCn1ccnc1 ZINC000002419734 562927532 /nfs/dbraw/zinc/92/75/32/562927532.db2.gz RZQXXXPUPIMROL-UHFFFAOYSA-N 0 0 433.899 5.144 50 30 IKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1c[nH]c2c1cccc2CC ZINC000003381882 562935149 /nfs/dbraw/zinc/93/51/49/562935149.db2.gz RANKGGVDHMQTLD-UHFFFAOYSA-N 0 0 446.576 5.370 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1OC ZINC000003408000 562935241 /nfs/dbraw/zinc/93/52/41/562935241.db2.gz RQABYHLIAJVIRI-UHFFFAOYSA-N 0 0 434.590 5.864 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000005158349 562943780 /nfs/dbraw/zinc/94/37/80/562943780.db2.gz FELCJAPFJOPHSD-ROUWMTJPSA-N 0 0 440.712 7.204 50 30 biogenic,in-vitro IKEARN C#CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1Cl ZINC000006181446 562946395 /nfs/dbraw/zinc/94/63/95/562946395.db2.gz MIOCETMZXKIKDO-UHFFFAOYSA-N 0 0 446.959 5.478 50 30 aggregator IKEARN CC(C)OC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)cc(-c2ccccc2)c1C#N ZINC000008448689 562949398 /nfs/dbraw/zinc/94/93/98/562949398.db2.gz OMTAFPSNTKZADS-UHFFFAOYSA-N 0 0 448.519 5.429 50 30 IKEARN C=CCOc1c(Br)cc(CNc2ccc(NC(=O)CCC)cc2)cc1OCC ZINC000008437868 562949437 /nfs/dbraw/zinc/94/94/37/562949437.db2.gz YIYWVUOIZVUKHF-UHFFFAOYSA-N 0 0 447.373 5.763 50 30 IKEARN FC(F)(F)c1ccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000008681168 562961618 /nfs/dbraw/zinc/96/16/18/562961618.db2.gz BTCVLIHSUWIGCY-UHFFFAOYSA-N 0 0 426.238 6.479 50 30 IKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1 ZINC000008809623 562964288 /nfs/dbraw/zinc/96/42/88/562964288.db2.gz FVYFDMIJOXJRSQ-UHFFFAOYSA-N 0 0 435.552 6.327 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000012865429 562983299 /nfs/dbraw/zinc/98/32/99/562983299.db2.gz IBHLVHLIYYDTRV-IOIAFZSCSA-N 0 0 439.728 8.494 50 30 biogenic IKEARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000012972132 562983675 /nfs/dbraw/zinc/98/36/75/562983675.db2.gz XCWFRGNEDKPWJG-UHFFFAOYSA-N 0 0 435.936 5.074 50 30 IKEARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000013448419 562987108 /nfs/dbraw/zinc/98/71/08/562987108.db2.gz YBCYJDNOPAFFOW-XOAARHKISA-N 0 0 437.587 5.429 50 30 in-vitro IKEARN Fc1ccc(N2CCN(c3ccc4c(n3)nc(C(F)(F)F)cc4C(F)(F)F)CC2)cc1 ZINC000020218688 563024134 /nfs/dbraw/zinc/02/41/34/563024134.db2.gz MVFAZLWCBJPGAR-UHFFFAOYSA-N 0 0 444.354 5.133 50 30 IKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccc(Oc2ccccc2)c1 ZINC000024302581 563027329 /nfs/dbraw/zinc/02/73/29/563027329.db2.gz KQHXNOPSPSWLIW-UHFFFAOYSA-N 0 0 445.515 5.172 50 30 IKEARN CCCCCCCc1ccc(/C=C/c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000097965395 568615474 /nfs/dbraw/zinc/61/54/74/568615474.db2.gz WOTGGVUJGZIZEF-SFQUDFHCSA-N 0 0 425.370 7.182 50 30 IKEARN CCCCCCCCCP(=O)(CCCCCCCCC)CCCCCCCCC ZINC000100072400 568619654 /nfs/dbraw/zinc/61/96/54/568619654.db2.gz QRFDIEMZNYYUIL-UHFFFAOYSA-N 0 0 428.726 10.601 50 30 IKEARN Cc1nn(-c2ccccc2)c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C#N ZINC000019010324 568632010 /nfs/dbraw/zinc/63/20/10/568632010.db2.gz VRGQMSAEMQXWAQ-UHFFFAOYSA-N 0 0 448.861 5.060 50 30 IKEARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)cc1 ZINC000000900642 568635725 /nfs/dbraw/zinc/63/57/25/568635725.db2.gz BMVDLWCTPIDDEM-ZDUSSCGKSA-N 0 0 428.439 5.153 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1-c1ccc(C#N)cc1 ZINC000025142330 568639971 /nfs/dbraw/zinc/63/99/71/568639971.db2.gz KELBFRDWLOVJIU-UHFFFAOYSA-N 0 0 437.543 6.377 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C#N)c1)n2Cc1cccc(F)c1 ZINC000025142992 568640477 /nfs/dbraw/zinc/64/04/77/568640477.db2.gz QZNKTFHAYHQDTE-UHFFFAOYSA-N 0 0 445.519 5.564 50 30 IKEARN Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1 ZINC000000978549 568647480 /nfs/dbraw/zinc/64/74/80/568647480.db2.gz SYKTYFQDXHJDJR-UHFFFAOYSA-N 0 0 439.540 5.597 50 30 IKEARN Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)n1 ZINC000000970402 568647517 /nfs/dbraw/zinc/64/75/17/568647517.db2.gz ZXSWZMCTVZMEBK-UHFFFAOYSA-N 0 0 442.302 5.687 50 30 IKEARN COC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000001026311 568653130 /nfs/dbraw/zinc/65/31/30/568653130.db2.gz DZFLLDPDTTZICH-UHFFFAOYSA-N 0 0 442.949 5.226 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000001030535 568653694 /nfs/dbraw/zinc/65/36/94/568653694.db2.gz XQRHHEAEMRWLDQ-ZRBLBEILSA-N 0 0 441.943 5.686 50 30 IKEARN CCc1c(C#N)c(SCC(=O)c2c(C)[nH]c3ccccc32)nc2c1C(=O)CC(C)(C)C2 ZINC000001076332 568654902 /nfs/dbraw/zinc/65/49/02/568654902.db2.gz OLAMJSSUHKIVLK-UHFFFAOYSA-N 0 0 431.561 5.436 50 30 IKEARN CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1O ZINC000001058949 568655199 /nfs/dbraw/zinc/65/51/99/568655199.db2.gz YUFZRDDYIQQHQI-ZMOGYAJESA-N 0 0 436.855 5.418 50 30 IKEARN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000001066941 568656247 /nfs/dbraw/zinc/65/62/47/568656247.db2.gz JOSQWVUJSQNGPM-HSZRJFAPSA-N 0 0 446.934 5.185 50 30 IKEARN Cc1ccc(NC2=C(C(=O)c3ccco3)[C@@H](c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001076107 568656823 /nfs/dbraw/zinc/65/68/23/568656823.db2.gz OBXAAWFCOTYJHK-AREMUKBSSA-N 0 0 434.495 5.925 50 30 IKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000001080678 568657163 /nfs/dbraw/zinc/65/71/63/568657163.db2.gz QNYKKNYGBJWNJR-XMMPIXPASA-N 0 0 425.488 5.225 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000001080669 568657236 /nfs/dbraw/zinc/65/72/36/568657236.db2.gz JQWFQKQZQDOHLD-XMMPIXPASA-N 0 0 425.488 5.225 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Br)cccc34)sc2C1 ZINC000001127680 568659906 /nfs/dbraw/zinc/65/99/06/568659906.db2.gz NFVHGMOUROWBMV-GFCCVEGCSA-N 0 0 425.351 5.913 50 30 IKEARN CS[C@@H]1CCCC[C@@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000001145233 568661108 /nfs/dbraw/zinc/66/11/08/568661108.db2.gz JYUVZCUGGYUEOC-SJLPKXTDSA-N 0 0 444.569 5.829 50 30 IKEARN Cc1cccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1C ZINC000082050483 568732830 /nfs/dbraw/zinc/73/28/30/568732830.db2.gz OAVSILUWQJDZJW-UHFFFAOYSA-N 0 0 426.520 5.351 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000001197991 568736824 /nfs/dbraw/zinc/73/68/24/568736824.db2.gz HWDIOQVTFRUWJI-DKUDOZJNSA-N 0 0 440.455 5.086 50 30 IKEARN O=S(=O)(NCc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)o1)c1ccccc1 ZINC000001209457 568737299 /nfs/dbraw/zinc/73/72/99/568737299.db2.gz WLVBHWBEGVDVHV-YZSQISJMSA-N 0 0 446.528 5.088 50 30 IKEARN N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)OCc4ccccc4)cc3)C2=O)c1 ZINC000034734340 568737597 /nfs/dbraw/zinc/73/75/97/568737597.db2.gz DMZHJNLFOGNYKA-UHFFFAOYSA-N 0 0 440.503 5.139 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccncc1 ZINC000005945455 568739229 /nfs/dbraw/zinc/73/92/29/568739229.db2.gz VFPAKCGPAXNMFZ-UHFFFAOYSA-N 0 0 426.560 5.972 50 30 IKEARN CCc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)c(C#N)c(C(F)(F)F)c1C ZINC000005949898 568739234 /nfs/dbraw/zinc/73/92/34/568739234.db2.gz YZQVDLVDBBZKEH-UHFFFAOYSA-N 0 0 431.842 5.366 50 30 IKEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000005944478 568739239 /nfs/dbraw/zinc/73/92/39/568739239.db2.gz AZHAMPANSBXJOC-WPWMEQJKSA-N 0 0 445.588 5.300 50 30 IKEARN FC(F)(F)c1nnc(SCc2ccc(Br)cc2)n1/N=C/c1ccccc1 ZINC000001779094 568739855 /nfs/dbraw/zinc/73/98/55/568739855.db2.gz PFQAVJOKVNRCAI-LSHDLFTRSA-N 0 0 441.276 5.234 50 30 IKEARN CC(C)(C)c1cc(C2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O ZINC000001807248 568740864 /nfs/dbraw/zinc/74/08/64/568740864.db2.gz VAUMYTNIJZYMAZ-UHFFFAOYSA-N 0 0 445.603 6.263 50 30 IKEARN CCCSc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000003629009 568751879 /nfs/dbraw/zinc/75/18/79/568751879.db2.gz QAGHSTAHQODNSJ-HNNXBMFYSA-N 0 0 445.585 5.343 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Cl)ccc1O[C@H]2c1ccccc1 ZINC000003668706 568754118 /nfs/dbraw/zinc/75/41/18/568754118.db2.gz ACYKWABLGUABAR-DEOSSOPVSA-N 0 0 435.995 7.152 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000031854375 568758531 /nfs/dbraw/zinc/75/85/31/568758531.db2.gz MTNMUFPQPPTRAG-WGARJPEWSA-N 0 0 449.963 6.497 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000004027528 568758672 /nfs/dbraw/zinc/75/86/72/568758672.db2.gz UOCUEIOMIAYZNI-WMVXCVSDSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O ZINC000263586592 568759335 /nfs/dbraw/zinc/75/93/35/568759335.db2.gz WAORZBROFWIQDM-NBZOHKLQSA-N 0 0 434.394 5.031 50 30 biogenic IKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cccnc3)C2)cc1 ZINC000004035915 568759641 /nfs/dbraw/zinc/75/96/41/568759641.db2.gz CQFWKIXFDAHDJB-DWACAAAGSA-N 0 0 449.554 5.701 50 30 IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O ZINC000263586833 568759645 /nfs/dbraw/zinc/75/96/45/568759645.db2.gz YKCFBZLHKFKMBQ-NBZOHKLQSA-N 0 0 448.858 5.111 50 30 biogenic IKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)nc1 ZINC000004048030 568759873 /nfs/dbraw/zinc/75/98/73/568759873.db2.gz LENVLVPFRGGQQA-PGGKNCGUSA-N 0 0 435.242 5.461 50 30 IKEARN Cc1ccc(-c2nc(SCc3ccc(C(C)(C)C)cc3)c(C#N)c3c2CCCC3)cc1 ZINC000004049789 568759895 /nfs/dbraw/zinc/75/98/95/568759895.db2.gz LKEPQLUSFIWYCL-UHFFFAOYSA-N 0 0 426.629 7.397 50 30 IKEARN CCOC(=O)c1c(-c2cccs2)csc1/N=C/c1cc(Br)ccc1O ZINC000001251176 568775137 /nfs/dbraw/zinc/77/51/37/568775137.db2.gz KSBHZMQYSVKZDU-AWQFTUOYSA-N 0 0 436.352 5.872 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3ccccc3F)C12 ZINC000001283419 568776760 /nfs/dbraw/zinc/77/67/60/568776760.db2.gz PFVAKQXPCZSFFH-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3ccccc3F)C12 ZINC000001283418 568776786 /nfs/dbraw/zinc/77/67/86/568776786.db2.gz PFVAKQXPCZSFFH-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN COc1ccc(N=C(N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1 ZINC000263621565 568778323 /nfs/dbraw/zinc/77/83/23/568778323.db2.gz STMWIRUKXDCINS-UHFFFAOYSA-N 0 0 432.549 5.334 50 30 IKEARN C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000001297723 568778812 /nfs/dbraw/zinc/77/88/12/568778812.db2.gz GSAJOYCTDXCTOH-GOSISDBHSA-N 0 0 426.607 5.076 50 30 IKEARN CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000001382809 568784102 /nfs/dbraw/zinc/78/41/02/568784102.db2.gz VDZQPQYBDBIKTN-HNNXBMFYSA-N 0 0 427.850 5.050 50 30 IKEARN CN(C)/C=C/C(=O)c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1 ZINC000001391362 568785122 /nfs/dbraw/zinc/78/51/22/568785122.db2.gz SKNNAVVSQOPSIR-OUKQBFOZSA-N 0 0 442.603 5.667 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccccc1F)N=C(SCc1cnc(Cl)s1)N2 ZINC000001406991 568787365 /nfs/dbraw/zinc/78/73/65/568787365.db2.gz PHTZGMYJYIDWCB-SFHVURJKSA-N 0 0 441.940 5.477 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000016805403 568793182 /nfs/dbraw/zinc/79/31/82/568793182.db2.gz AQRMEMUNEMGHNS-UHFFFAOYSA-N 0 0 443.450 5.378 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000001421946 568793183 /nfs/dbraw/zinc/79/31/83/568793183.db2.gz WICGYMIPKFLOTE-ZDUSSCGKSA-N 0 0 433.624 5.264 50 30 IKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2 ZINC000001424708 568793756 /nfs/dbraw/zinc/79/37/56/568793756.db2.gz WGADOOZKZYOCEQ-IVCQMTBJSA-N 0 0 436.467 5.515 50 30 IKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2 ZINC000001424707 568793764 /nfs/dbraw/zinc/79/37/64/568793764.db2.gz WGADOOZKZYOCEQ-CPJLOUKISA-N 0 0 436.467 5.515 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001427812 568794129 /nfs/dbraw/zinc/79/41/29/568794129.db2.gz IROPHWKZMNPUBU-MHECFPHRSA-N 0 0 441.556 5.143 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccccc1 ZINC000001429561 568794323 /nfs/dbraw/zinc/79/43/23/568794323.db2.gz IHGYYADFBJAGFF-SFHVURJKSA-N 0 0 430.573 5.662 50 30 IKEARN CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O ZINC000001429783 568794335 /nfs/dbraw/zinc/79/43/35/568794335.db2.gz XMIISBOWIQSXLS-CRAIPNDOSA-N 0 0 429.347 5.187 50 30 IKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCCC2 ZINC000001429599 568794353 /nfs/dbraw/zinc/79/43/53/568794353.db2.gz ZEFVFTZAZMPPCK-IBGZPJMESA-N 0 0 448.563 5.945 50 30 IKEARN COc1cccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)c1 ZINC000001430137 568794432 /nfs/dbraw/zinc/79/44/32/568794432.db2.gz JWFLFNWBIYTQJB-IBGZPJMESA-N 0 0 446.572 5.425 50 30 IKEARN CCc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 ZINC000001430888 568794568 /nfs/dbraw/zinc/79/45/68/568794568.db2.gz JIHNHILMTGHDLC-LJQANCHMSA-N 0 0 430.573 5.589 50 30 IKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCC2 ZINC000001430160 568794817 /nfs/dbraw/zinc/79/48/17/568794817.db2.gz HGXDRSPJWKJWCL-GOSISDBHSA-N 0 0 434.536 5.555 50 30 IKEARN CC(=O)N(c1nc(CSc2ccc(C#N)cc2Cl)cs1)c1ccc(C)c(C)c1 ZINC000084180565 568795869 /nfs/dbraw/zinc/79/58/69/568795869.db2.gz ISHXOGLWFFONMM-UHFFFAOYSA-N 0 0 427.982 6.262 50 30 IKEARN CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc3c(cc2Cl)OCO3)ccc1O ZINC000001436652 568800261 /nfs/dbraw/zinc/80/02/61/568800261.db2.gz RVCBPTVHADRZLR-BRJLIKDPSA-N 0 0 435.867 5.238 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006075525 568805646 /nfs/dbraw/zinc/80/56/46/568805646.db2.gz KFWROXZOQYIJKS-UHFFFAOYSA-N 0 0 425.985 6.057 50 30 IKEARN CCCCCC#CC#CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000008385773 568812617 /nfs/dbraw/zinc/81/26/17/568812617.db2.gz NZNAYOKVPRPGJW-UHFFFAOYSA-N 0 0 439.643 8.312 50 30 IKEARN Cc1ccc(C(=O)N/C(=N/c2cccc(C)c2)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000015729067 568813230 /nfs/dbraw/zinc/81/32/30/568813230.db2.gz OUWGWIQLERTXCD-UHFFFAOYSA-N 0 0 440.591 5.160 50 30 IKEARN COc1cccc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1 ZINC000015728929 568813261 /nfs/dbraw/zinc/81/32/61/568813261.db2.gz NHPFAAJJVMQPPW-UHFFFAOYSA-N 0 0 446.938 5.080 50 30 IKEARN C=C(C)Cc1c2c3ccnc4c3n(c2ccc1OCC(=O)OC(C)C)c(=O)c1ccccc14 ZINC000008792452 568816231 /nfs/dbraw/zinc/81/62/31/568816231.db2.gz NWMJOOSLVXYANT-UHFFFAOYSA-N 0 0 440.499 5.041 50 30 biogenic IKEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 ZINC000008745160 568816338 /nfs/dbraw/zinc/81/63/38/568816338.db2.gz ZYGKPHHJHQYFNS-GOSISDBHSA-N 0 0 441.560 5.312 50 30 IKEARN C=CCn1c(SCc2ccccc2C(=O)NCC(C)C)nnc1-c1ccccc1Cl ZINC000085410537 568817836 /nfs/dbraw/zinc/81/78/36/568817836.db2.gz CNLQKGYXEISUMJ-UHFFFAOYSA-N 0 0 441.000 5.463 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)cc1 ZINC000009307143 568818319 /nfs/dbraw/zinc/81/83/19/568818319.db2.gz PADPHGZSVFVSFF-UHFFFAOYSA-N 0 0 441.556 5.782 50 30 IKEARN CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccccc2F)C2=C1CCCC2=O ZINC000001461727 568819863 /nfs/dbraw/zinc/81/98/63/568819863.db2.gz UIPTYEFGRMYLRF-UHFFFAOYSA-N 0 0 431.507 5.448 50 30 IKEARN C=C1[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000001462543 568819868 /nfs/dbraw/zinc/81/98/68/568819868.db2.gz CRZLCZVPGSGGGD-NSOVKSMOSA-N 0 0 444.534 6.400 50 30 IKEARN CC(=O)Nc1ccc(/N=C/c2ccccc2OC(=O)c2ccccc2Br)cc1 ZINC000001464878 568820282 /nfs/dbraw/zinc/82/02/82/568820282.db2.gz DAXFWCQJGFPXKL-ZVHZXABRSA-N 0 0 437.293 5.377 50 30 IKEARN COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC ZINC000006075271 568820674 /nfs/dbraw/zinc/82/06/74/568820674.db2.gz FFQWKIASRBTZQZ-AWEZNQCLSA-N 0 0 428.554 5.049 50 30 IKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 ZINC000006075377 568821022 /nfs/dbraw/zinc/82/10/22/568821022.db2.gz ZBAQJLCOJTVOJR-YZSQISJMSA-N 0 0 431.561 5.524 50 30 IKEARN C=CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC=C)c1 ZINC000006073534 568821097 /nfs/dbraw/zinc/82/10/97/568821097.db2.gz LCNDWZKLFJMSFO-DJKKODMXSA-N 0 0 431.822 5.092 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000006077216 568821303 /nfs/dbraw/zinc/82/13/03/568821303.db2.gz DRNJSODQIMEPOL-AREMUKBSSA-N 0 0 441.531 6.124 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1OC ZINC000013804447 568824065 /nfs/dbraw/zinc/82/40/65/568824065.db2.gz SJBUWGVOAJXJMA-UHFFFAOYSA-N 0 0 436.581 5.168 50 30 IKEARN C=CCOc1ccc(C=C2SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)cc1 ZINC000013804939 568824083 /nfs/dbraw/zinc/82/40/83/568824083.db2.gz BEVXQFDFLNCLDI-YVLHZVERSA-N 0 0 438.858 6.006 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(Cl)c1 ZINC000013803755 568824091 /nfs/dbraw/zinc/82/40/91/568824091.db2.gz RKIOVOIARZAAQR-UHFFFAOYSA-N 0 0 426.973 5.639 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000013805626 568824106 /nfs/dbraw/zinc/82/41/06/568824106.db2.gz CHIBDJPKIKYGPM-UHFFFAOYSA-N 0 0 437.327 5.308 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cccc(C)c2)SC1=S ZINC000013942304 568824448 /nfs/dbraw/zinc/82/44/48/568824448.db2.gz UFVVHBVWZBYHFY-ZHZULCJRSA-N 0 0 445.993 5.493 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000013943087 568824498 /nfs/dbraw/zinc/82/44/98/568824498.db2.gz JSRJTDRTOMCTPD-WOJGMQOQSA-N 0 0 448.327 5.251 50 30 IKEARN C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000013939700 568824546 /nfs/dbraw/zinc/82/45/46/568824546.db2.gz NFVZSOFQOSJYBQ-UNOMPAQXSA-N 0 0 445.899 5.126 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1Cl ZINC000014068364 568824800 /nfs/dbraw/zinc/82/48/00/568824800.db2.gz VZQJDUBZNWLEEM-UHFFFAOYSA-N 0 0 426.973 5.639 50 30 IKEARN C=CCn1c(SCC(=O)c2cccc3ccccc32)nnc1[C@@H]1COc2ccccc2O1 ZINC000014141883 568825051 /nfs/dbraw/zinc/82/50/51/568825051.db2.gz JZBFCHKJWBTICL-QHCPKHFHSA-N 0 0 443.528 5.105 50 30 IKEARN C=C(C)C(=O)OCCCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 ZINC000014401218 568826024 /nfs/dbraw/zinc/82/60/24/568826024.db2.gz RLWDBZIHAUEHLO-UHFFFAOYSA-N 0 0 427.932 5.129 50 30 IKEARN C=C(C)Cn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000985907 568832508 /nfs/dbraw/zinc/83/25/08/568832508.db2.gz KVVDLBFCGSPPLS-AWEZNQCLSA-N 0 0 440.590 5.180 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 ZINC000000986180 568832537 /nfs/dbraw/zinc/83/25/37/568832537.db2.gz PXSCLSQDJPNZKS-SFHVURJKSA-N 0 0 426.607 5.521 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000018089641 568832920 /nfs/dbraw/zinc/83/29/20/568832920.db2.gz IEPDSHZEDUXBDJ-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN C=C(C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2ccccc2c1=O ZINC000001068069 568832966 /nfs/dbraw/zinc/83/29/66/568832966.db2.gz KRGLEZOTSMTPRH-UHFFFAOYSA-N 0 0 441.556 5.430 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC1=S ZINC000001180486 568833250 /nfs/dbraw/zinc/83/32/50/568833250.db2.gz GABUXUQILBDUGP-UUASQNMZSA-N 0 0 441.317 5.549 50 30 IKEARN C=CCn1c2ccccc2c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 ZINC000001427834 568833791 /nfs/dbraw/zinc/83/37/91/568833791.db2.gz OWNWGZBJSPMCEU-UHFFFAOYSA-N 0 0 431.399 5.244 50 30 IKEARN CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccccc3)c(Br)c2)c1O ZINC000001505754 568834004 /nfs/dbraw/zinc/83/40/04/568834004.db2.gz XDUUUNGTMPTOJQ-ZVHZXABRSA-N 0 0 439.309 5.556 50 30 IKEARN C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC ZINC000001791344 568834201 /nfs/dbraw/zinc/83/42/01/568834201.db2.gz ZLPXLILHGYTHOS-XMMPIXPASA-N 0 0 441.556 5.856 50 30 IKEARN C#CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060635 568834369 /nfs/dbraw/zinc/83/43/69/568834369.db2.gz YMKUACBKVJMHGY-HXUWFJFHSA-N 0 0 448.632 5.524 50 30 biogenic IKEARN C=CCOc1cc(OCc2ccccc2)c(C(C)=O)c(OCc2ccccc2)c1C(C)=O ZINC000002144706 568834625 /nfs/dbraw/zinc/83/46/25/568834625.db2.gz ZIXYXYKIRMKCAJ-UHFFFAOYSA-N 0 0 430.500 5.815 50 30 IKEARN C=C(C)Cn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002181978 568834707 /nfs/dbraw/zinc/83/47/07/568834707.db2.gz WRPZWLIKUBFLTH-UHFFFAOYSA-N 0 0 440.634 5.795 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)N(C(=O)CC)c1ccccc1-2 ZINC000002114349 568834709 /nfs/dbraw/zinc/83/47/09/568834709.db2.gz JXBQPARWZJTDRG-NRFANRHFSA-N 0 0 438.940 5.304 50 30 IKEARN C=CCn1nc(-c2ccccc2)c2c(nn(-c3cccc(OC)c3)c2-c2ccccc2)c1=O ZINC000002181183 568834710 /nfs/dbraw/zinc/83/47/10/568834710.db2.gz HKIQVGJWDMOQMH-UHFFFAOYSA-N 0 0 434.499 5.111 50 30 IKEARN C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1 ZINC000002113894 568834711 /nfs/dbraw/zinc/83/47/11/568834711.db2.gz VNQNZAZPMBQKNI-QHCPKHFHSA-N 0 0 448.548 5.050 50 30 IKEARN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000002177201 568834719 /nfs/dbraw/zinc/83/47/19/568834719.db2.gz QSMHDNDAYHFFEK-XDHOZWIPSA-N 0 0 447.915 5.679 50 30 IKEARN C=CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002208338 568834857 /nfs/dbraw/zinc/83/48/57/568834857.db2.gz IYXIFBXMMFGACQ-UHFFFAOYSA-N 0 0 444.600 5.944 50 30 biogenic IKEARN C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 ZINC000002374284 568835041 /nfs/dbraw/zinc/83/50/41/568835041.db2.gz ZJWZUEBVDXNYMW-UHFFFAOYSA-N 0 0 443.532 5.049 50 30 IKEARN C=CC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1NC(=O)Nc1ccccc1 ZINC000002381323 568835057 /nfs/dbraw/zinc/83/50/57/568835057.db2.gz RTWIZDYABLYMER-QPLCGJKRSA-N 0 0 426.545 5.746 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2sc(C)c(C)c2c1=O ZINC000002367068 568835238 /nfs/dbraw/zinc/83/52/38/568835238.db2.gz YSSKJXGNFHIWDD-UHFFFAOYSA-N 0 0 427.595 5.115 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002454478 568835670 /nfs/dbraw/zinc/83/56/70/568835670.db2.gz FTKCQGUKEQWPBA-UHFFFAOYSA-N 0 0 441.000 5.813 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002453493 568835958 /nfs/dbraw/zinc/83/59/58/568835958.db2.gz IAFRDBHDFBUYHJ-UHFFFAOYSA-N 0 0 436.581 5.168 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000002452843 568836004 /nfs/dbraw/zinc/83/60/04/568836004.db2.gz KCKRGPNDSCNWIK-UHFFFAOYSA-N 0 0 442.972 5.141 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(C)c1 ZINC000002452740 568836005 /nfs/dbraw/zinc/83/60/05/568836005.db2.gz XCNXHODEFYFLSV-UHFFFAOYSA-N 0 0 440.572 5.837 50 30 IKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CCC2 ZINC000001151824 568836602 /nfs/dbraw/zinc/83/66/02/568836602.db2.gz QBJZSIUZSHMAFI-HXUWFJFHSA-N 0 0 439.606 5.088 50 30 IKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000001118589 568836679 /nfs/dbraw/zinc/83/66/79/568836679.db2.gz FCZJQKYLOUNOCD-IBGZPJMESA-N 0 0 428.271 5.365 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019850876 568836797 /nfs/dbraw/zinc/83/67/97/568836797.db2.gz IIROCNQGLPEUAO-XMMPIXPASA-N 0 0 447.554 5.134 50 30 IKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)CCC2 ZINC000004125669 568836800 /nfs/dbraw/zinc/83/68/00/568836800.db2.gz XJGKXBLESHAYIE-HXUWFJFHSA-N 0 0 439.606 5.088 50 30 IKEARN O=C(Cc1ccccc1)ON[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003137402 568841824 /nfs/dbraw/zinc/84/18/24/568841824.db2.gz XCPRKWZJHBFJOP-OAHLLOKOSA-N 0 0 442.557 5.392 50 30 IKEARN Brc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2Br)cc1 ZINC000002147014 568842048 /nfs/dbraw/zinc/84/20/48/568842048.db2.gz UIYHOCZXZIAYAD-RNIAWFEPSA-N 0 0 442.154 6.713 50 30 IKEARN O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 ZINC000002164881 568842203 /nfs/dbraw/zinc/84/22/03/568842203.db2.gz QBGRBRMCWPADQZ-ASIDMNOUSA-N 0 0 443.246 6.311 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(-c2ccc(F)cc2)cs1 ZINC000025694700 568842715 /nfs/dbraw/zinc/84/27/15/568842715.db2.gz SPXJYNTZSMMERY-UHFFFAOYSA-N 0 0 449.591 6.527 50 30 IKEARN C=C[C@H](CCC1(CC[C@@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1 ZINC000043198817 568842982 /nfs/dbraw/zinc/84/29/82/568842982.db2.gz VDGIQSSYFMFIRB-DHIUTWEWSA-N 0 0 436.686 7.980 50 30 IKEARN C=C[C@@H](COCSC)C[C@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 ZINC000043762863 568843196 /nfs/dbraw/zinc/84/31/96/568843196.db2.gz QRKKLUUKPHEPNI-KLORDNOQSA-N 0 0 436.658 5.855 50 30 IKEARN O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(Br)cc1 ZINC000100457313 568843262 /nfs/dbraw/zinc/84/32/62/568843262.db2.gz WZKCMIFEDFBTBL-YDZHTSKRSA-N 0 0 441.350 5.636 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C)ccc1OC ZINC000100856168 568843560 /nfs/dbraw/zinc/84/35/60/568843560.db2.gz FKANRVNRUGJXQB-UHFFFAOYSA-N 0 0 432.693 8.387 50 30 IKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000101022346 568843668 /nfs/dbraw/zinc/84/36/68/568843668.db2.gz GEVYEZSWYNSSOX-INIZCTEOSA-N 0 0 438.852 5.536 50 30 IKEARN O=C1CCCC(=O)C1[C@@H](Sc1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000101082256 568843696 /nfs/dbraw/zinc/84/36/96/568843696.db2.gz UXFUODISDMCESE-WOQBMBJYSA-N 0 0 438.592 7.010 50 30 IKEARN CCOC(=O)[C@H](CC)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000006134515 568844807 /nfs/dbraw/zinc/84/48/07/568844807.db2.gz JJVQOPITPCPTBY-QHCPKHFHSA-N 0 0 432.545 5.730 50 30 IKEARN CCOC(=O)[C@@H](CC)Sc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000006134574 568844869 /nfs/dbraw/zinc/84/48/69/568844869.db2.gz CNRZJMLGILQIBC-HSZRJFAPSA-N 0 0 432.545 5.730 50 30 IKEARN CC(C)(C)c1cc(/N=C/C=C\C2=C3N(CCC2)c2ccccc2C3(C)C)cc(C(C)(C)C)c1 ZINC000006142335 568845399 /nfs/dbraw/zinc/84/53/99/568845399.db2.gz PQNSURMKLICNHT-ZDQSCIKASA-N 0 0 440.675 8.386 50 30 IKEARN CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006149648 568847005 /nfs/dbraw/zinc/84/70/05/568847005.db2.gz IQXCHKVPMKFAJC-RUZDIDTESA-N 0 0 449.635 7.459 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCCCC1 ZINC000015867223 568850649 /nfs/dbraw/zinc/85/06/49/568850649.db2.gz AMNUINMVOITLRY-SANMLTNESA-N 0 0 433.552 5.099 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1C1CCCC1 ZINC000017095067 568850936 /nfs/dbraw/zinc/85/09/36/568850936.db2.gz SXIBLMYFPKLKRG-UHFFFAOYSA-N 0 0 426.567 5.266 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1-c1cccnc1 ZINC000017094688 568851034 /nfs/dbraw/zinc/85/10/34/568851034.db2.gz SOIYWQNRFDUNQU-UHFFFAOYSA-N 0 0 425.970 5.595 50 30 IKEARN C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1csc(C)c1CC ZINC000017095094 568851130 /nfs/dbraw/zinc/85/11/30/568851130.db2.gz JJTGKPBNLHANOR-HNNXBMFYSA-N 0 0 426.611 5.033 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3CC)c2c1 ZINC000015880455 568854793 /nfs/dbraw/zinc/85/47/93/568854793.db2.gz UKUADUCIZNMZLC-UHFFFAOYSA-N 0 0 441.527 6.878 50 30 IKEARN C=CC[C@@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C(=O)Nc1ccccc1 ZINC000019851493 568855274 /nfs/dbraw/zinc/85/52/74/568855274.db2.gz HDXYEAZGUNXZCQ-QHCPKHFHSA-N 0 0 427.976 5.214 50 30 IKEARN C=C(C)CSc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020191727 568855761 /nfs/dbraw/zinc/85/57/61/568855761.db2.gz CGGRWHNBDNEGBW-UHFFFAOYSA-N 0 0 426.611 5.359 50 30 IKEARN C=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1nc(-c2ccccc2)cs1 ZINC000026129317 568862512 /nfs/dbraw/zinc/86/25/12/568862512.db2.gz MCHFVRHLROEJOO-UHFFFAOYSA-N 0 0 438.534 5.073 50 30 IKEARN C=CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c21)c1nc2c(s1)CCCC2 ZINC000029077100 568864701 /nfs/dbraw/zinc/86/47/01/568864701.db2.gz HSHZCHWXICKEQJ-UHFFFAOYSA-N 0 0 430.533 5.366 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000016034448 568867658 /nfs/dbraw/zinc/86/76/58/568867658.db2.gz YMCXLLPIHSKVQS-GIFXNVAJSA-N 0 0 437.524 5.167 50 30 IKEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Br)cc1F ZINC000016037716 568868003 /nfs/dbraw/zinc/86/80/03/568868003.db2.gz SPHGPQZGQGWSKW-FVWOVYMGSA-N 0 0 427.317 5.121 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccnc3)nc2c(C)c1 ZINC000006193471 568876672 /nfs/dbraw/zinc/87/66/72/568876672.db2.gz DCNKZFLYBRJGTL-OAQYLSRUSA-N 0 0 441.512 5.091 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000006196540 568877093 /nfs/dbraw/zinc/87/70/93/568877093.db2.gz LVACMOLCSLTQMM-RUZDIDTESA-N 0 0 446.547 5.009 50 30 IKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000008897813 568877845 /nfs/dbraw/zinc/87/78/45/568877845.db2.gz XJRNJVPPRHJVJP-NRFANRHFSA-N 0 0 446.528 5.108 50 30 IKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC3CCCCC3)n2)cc1 ZINC000006246046 568880668 /nfs/dbraw/zinc/88/06/68/568880668.db2.gz QFVBJTLITRBXPO-UHFFFAOYSA-N 0 0 433.020 7.922 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000009460972 568883408 /nfs/dbraw/zinc/88/34/08/568883408.db2.gz RFFXIAHPHFYOJG-JOCHJYFZSA-N 0 0 430.504 5.372 50 30 IKEARN O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000015980174 568894080 /nfs/dbraw/zinc/89/40/80/568894080.db2.gz GUSXMQOYSGXSHA-XLUWADSXSA-N 0 0 432.234 6.729 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000006406265 568894387 /nfs/dbraw/zinc/89/43/87/568894387.db2.gz XLTUYEOKLDGWRD-JXFKEZNVSA-N 0 0 446.330 5.059 50 30 IKEARN COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000025424463 568895539 /nfs/dbraw/zinc/89/55/39/568895539.db2.gz FQUHAZFHFGZLSW-NTCAYCPXSA-N 0 0 438.426 5.550 50 30 IKEARN CCN(CC)c1ccc(/C=C2/CN(CC)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000096399856 568899046 /nfs/dbraw/zinc/89/90/46/568899046.db2.gz SBBSOVIOYNQVMD-DQIQZUARSA-N 0 0 445.651 5.751 50 30 IKEARN O=C(c1ccccc1Cl)C1=C2NC(=O)c3c4c(sc3N2Cc2ccccc21)CCCC4 ZINC000001751986 568904597 /nfs/dbraw/zinc/90/45/97/568904597.db2.gz NDIOARATQWLFCT-UHFFFAOYSA-N 0 0 446.959 5.595 50 30 IKEARN O=C(Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000001779608 568906754 /nfs/dbraw/zinc/90/67/54/568906754.db2.gz QRXQCQHIIHMQNA-JVWAILMASA-N 0 0 440.455 6.190 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1F ZINC000006446061 568907413 /nfs/dbraw/zinc/90/74/13/568907413.db2.gz CAYPLBWXIOMWFB-DSITVLBTSA-N 0 0 437.449 5.249 50 30 IKEARN Cc1cc(C)c(C#N)c(SCc2ccc(CSc3nc(C)cc(C)c3C#N)cc2)n1 ZINC000001806456 568908665 /nfs/dbraw/zinc/90/86/65/568908665.db2.gz RVSDTHBAJUQBHF-UHFFFAOYSA-N 0 0 430.602 6.038 50 30 IKEARN CN(C)c1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3F)c2C#N)cc1 ZINC000001806643 568908732 /nfs/dbraw/zinc/90/87/32/568908732.db2.gz FLCUCRXGCLWLML-UHFFFAOYSA-N 0 0 439.559 6.785 50 30 IKEARN C=C(Br)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001830077 568915786 /nfs/dbraw/zinc/91/57/86/568915786.db2.gz NJGASNYDZXBICW-UHFFFAOYSA-N 0 0 448.455 6.318 50 30 IKEARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1c(O)ccc2ccccc21 ZINC000001881005 568917374 /nfs/dbraw/zinc/91/73/74/568917374.db2.gz MTXWALLGUQDLON-KBKYJPHKSA-N 0 0 431.904 5.519 50 30 IKEARN N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1nc2ccccc2s1 ZINC000016492389 568918157 /nfs/dbraw/zinc/91/81/57/568918157.db2.gz NZRKCPYKMWPYQM-UHFFFAOYSA-N 0 0 429.508 6.236 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000016577980 568922856 /nfs/dbraw/zinc/92/28/56/568922856.db2.gz CBNPQCAWVGCRDG-FQEVSTJZSA-N 0 0 443.341 5.385 50 30 IKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1 ZINC000001947838 568923624 /nfs/dbraw/zinc/92/36/24/568923624.db2.gz UDGKOAXEYSJPQD-UXHLAJHPSA-N 0 0 432.523 7.159 50 30 IKEARN CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(C)cc3C(=O)c3ccccc3)cc2)cc1 ZINC000001952950 568923852 /nfs/dbraw/zinc/92/38/52/568923852.db2.gz HZIGHGSQOSDYHG-NDZAJKAJSA-N 0 0 433.507 6.569 50 30 IKEARN O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc21 ZINC000001951218 568923878 /nfs/dbraw/zinc/92/38/78/568923878.db2.gz RYCMKHNJKYPENL-CVKSISIWSA-N 0 0 430.301 6.290 50 30 IKEARN O=C1c2ccc(OCc3ccc(F)cc3Cl)cc2O/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000001844911 568925039 /nfs/dbraw/zinc/92/50/39/568925039.db2.gz SJUZXOHAUYSXKW-NKVSQWTQSA-N 0 0 425.799 5.583 50 30 IKEARN CCOc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000064473827 568930519 /nfs/dbraw/zinc/93/05/19/568930519.db2.gz YHRZBICQQYOITB-UHFFFAOYSA-N 0 0 434.927 5.014 50 30 IKEARN COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)c2c1 ZINC000064473592 568930574 /nfs/dbraw/zinc/93/05/74/568930574.db2.gz QACHQRMAWTYNFW-UHFFFAOYSA-N 0 0 428.536 5.094 50 30 IKEARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000089573828 568937970 /nfs/dbraw/zinc/93/79/70/568937970.db2.gz ARHNADHKODIXKB-KRWDZBQOSA-N 0 0 444.512 5.096 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002059403 568941097 /nfs/dbraw/zinc/94/10/97/568941097.db2.gz VEOFHEQIAKDPSC-KGENOOAVSA-N 0 0 433.891 5.801 50 30 IKEARN N#Cc1c(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002069274 568941266 /nfs/dbraw/zinc/94/12/66/568941266.db2.gz URUMDWQFFQDLQU-OAHLLOKOSA-N 0 0 434.801 5.098 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000169616358 568968664 /nfs/dbraw/zinc/96/86/64/568968664.db2.gz VMZONVWPTOGZEA-ISJGIBHGSA-N 0 0 435.914 5.624 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000169618332 568969368 /nfs/dbraw/zinc/96/93/68/568969368.db2.gz YXTPEHBSPSFMKJ-DNVJHFABSA-N 0 0 425.488 5.171 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000006782324 568985226 /nfs/dbraw/zinc/98/52/26/568985226.db2.gz SRCXWQQPKIWNSF-RUZDIDTESA-N 0 0 425.528 5.631 50 30 biogenic IKEARN C=CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000169678634 568989957 /nfs/dbraw/zinc/98/99/57/568989957.db2.gz VFRIOPBPRQZDCK-XUZZJYLKSA-N 0 0 449.595 5.137 50 30 IKEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000065034347 569091972 /nfs/dbraw/zinc/09/19/72/569091972.db2.gz PXGSSDHPWOGTNU-UHFFFAOYSA-N 0 0 442.416 5.119 50 30 IKEARN CSc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1 ZINC000065034370 569091988 /nfs/dbraw/zinc/09/19/88/569091988.db2.gz CCWZIVMTEKMBNW-UHFFFAOYSA-N 0 0 436.968 5.337 50 30 IKEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000065034350 569092026 /nfs/dbraw/zinc/09/20/26/569092026.db2.gz OABBVKLFYMKQCY-UHFFFAOYSA-N 0 0 442.416 5.119 50 30 IKEARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000065114712 569106588 /nfs/dbraw/zinc/10/65/88/569106588.db2.gz VRAGTKFIHVHMHM-UHFFFAOYSA-N 0 0 447.491 5.112 50 30 IKEARN CC(C)(C)c1cc(/C=N/[C@H](c2ccccc2)[C@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000006995581 569116621 /nfs/dbraw/zinc/11/66/21/569116621.db2.gz IXZSHYIACBWIFQ-QAAAZZFASA-N 0 0 429.604 6.881 50 30 IKEARN CCOc1ccc2c(c1)sc1nc(-c3ccc(C#N)cc3)c(NCCCOC(C)C)n21 ZINC000065319375 569134863 /nfs/dbraw/zinc/13/48/63/569134863.db2.gz VMWOAMJTTNMPCK-UHFFFAOYSA-N 0 0 434.565 5.713 50 30 IKEARN N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1 ZINC000238950319 569138031 /nfs/dbraw/zinc/13/80/31/569138031.db2.gz XRSQTRYZKZINBP-XMMPIXPASA-N 0 0 444.485 5.894 50 30 IKEARN CCC1CCC(=Nn2c(-c3cccc(Cl)c3)csc2=NCCc2ccccc2)CC1 ZINC000588078952 569140418 /nfs/dbraw/zinc/14/04/18/569140418.db2.gz BLSZAKDZWPYNBY-UHFFFAOYSA-N 0 0 438.040 6.818 50 30 IKEARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSCc2cccc(C#N)c2)cc1 ZINC000009882246 569149538 /nfs/dbraw/zinc/14/95/38/569149538.db2.gz WCLXRLMXNYGZMR-VWLOTQADSA-N 0 0 441.556 5.178 50 30 IKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000016730660 569160510 /nfs/dbraw/zinc/16/05/10/569160510.db2.gz BWFYLNNXSIZSPZ-UHFFFAOYSA-N 0 0 441.478 5.987 50 30 IKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000016728815 569160547 /nfs/dbraw/zinc/16/05/47/569160547.db2.gz CLYCHEWWGXBNBU-UHFFFAOYSA-N 0 0 428.479 6.720 50 30 IKEARN CCSc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)cc(C(F)(F)F)c1C#N ZINC000016805626 569162125 /nfs/dbraw/zinc/16/21/25/569162125.db2.gz ILYFJHHSLSXEJH-UHFFFAOYSA-N 0 0 432.442 6.469 50 30 IKEARN N#Cc1c(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002071608 569162204 /nfs/dbraw/zinc/16/22/04/569162204.db2.gz OJELFPXQWGAYBY-KRWDZBQOSA-N 0 0 428.772 5.037 50 30 IKEARN COc1cc(C(=O)Oc2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OC ZINC000016943495 569166915 /nfs/dbraw/zinc/16/69/15/569166915.db2.gz YMRGZDBWGCAUJU-LQKURTRISA-N 0 0 449.547 5.319 50 30 IKEARN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000017097325 569172849 /nfs/dbraw/zinc/17/28/49/569172849.db2.gz MCSNZOBIVIMKIB-HUUCEWRRSA-N 0 0 431.001 6.139 50 30 IKEARN Cc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000017095563 569173196 /nfs/dbraw/zinc/17/31/96/569173196.db2.gz PFHVPONELDKSGE-RWBSCQHUSA-N 0 0 427.573 5.865 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Br)sc2C1 ZINC000002085381 569177269 /nfs/dbraw/zinc/17/72/69/569177269.db2.gz KOSXHTIJZPIAFL-CYBMUJFWSA-N 0 0 431.399 6.176 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)sc2C1 ZINC000002081515 569177276 /nfs/dbraw/zinc/17/72/76/569177276.db2.gz AEUQPGDABIMYAX-UEICXMAYSA-N 0 0 438.593 5.830 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccs1 ZINC000002207166 569180706 /nfs/dbraw/zinc/18/07/06/569180706.db2.gz FSPOZUNJIDPRPK-UHFFFAOYSA-N 0 0 432.574 5.590 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1 ZINC000002370656 569180776 /nfs/dbraw/zinc/18/07/76/569180776.db2.gz OICWKGRMSLIJGC-UHFFFAOYSA-N 0 0 448.573 5.716 50 30 IKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000100286323 569181715 /nfs/dbraw/zinc/18/17/15/569181715.db2.gz VJTNNIVXOMIESC-UHFFFAOYSA-N 0 0 443.587 8.358 50 30 IKEARN COC(=O)c1ccc(/C=C2\C[C@H](C(C)(C)C)C/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000252346961 569183033 /nfs/dbraw/zinc/18/30/33/569183033.db2.gz NADWIFYTOHURMR-NCBKXCMZSA-N 0 0 446.543 5.752 50 30 IKEARN CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3cccc(F)c3)C(C#N)(C#N)[C@@H]2c2ccccc21 ZINC000252427244 569183310 /nfs/dbraw/zinc/18/33/10/569183310.db2.gz YKULJWZFIDEUIU-KLJDGLGGSA-N 0 0 433.486 5.626 50 30 IKEARN CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1 ZINC000252430995 569183578 /nfs/dbraw/zinc/18/35/78/569183578.db2.gz XLLVCEWUWMRFCJ-NZOCOZLTSA-N 0 0 443.635 6.570 50 30 IKEARN O=S(=O)(c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1)N1CCCCC1 ZINC000252462619 569184727 /nfs/dbraw/zinc/18/47/27/569184727.db2.gz UVGNBCNZANJVBV-UHFFFAOYSA-N 0 0 434.561 5.191 50 30 IKEARN COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 ZINC000002131670 569184935 /nfs/dbraw/zinc/18/49/35/569184935.db2.gz HXUSHXYODUVSHP-IOFNULOHSA-N 0 0 426.468 5.598 50 30 biogenic IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 ZINC000002133402 569185053 /nfs/dbraw/zinc/18/50/53/569185053.db2.gz JFDAJWXBYOTKBR-FTWDSPQQSA-N 0 0 440.451 5.238 50 30 biogenic IKEARN C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2Cl)nnc1-c1ccccn1 ZINC000002544576 569185868 /nfs/dbraw/zinc/18/58/68/569185868.db2.gz PXBIANDWWWPBAM-UHFFFAOYSA-N 0 0 439.755 5.461 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3Cl)sc2C1 ZINC000002158553 569187278 /nfs/dbraw/zinc/18/72/78/569187278.db2.gz VPCGIDJRNCSMPJ-CYBMUJFWSA-N 0 0 446.041 5.941 50 30 IKEARN CCOc1cc(C(=O)N2CCCSC2=Nc2ccccc2)cc(OCC)c1OCC ZINC000252510674 569188623 /nfs/dbraw/zinc/18/86/23/569188623.db2.gz BDZDJCNBXCZTMG-UHFFFAOYSA-N 0 0 428.554 5.150 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 ZINC000002163509 569188854 /nfs/dbraw/zinc/18/88/54/569188854.db2.gz MWZUIROGVOFBTI-LBPRGKRZSA-N 0 0 437.392 6.095 50 30 IKEARN N#Cc1ccccc1COc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000002164633 569189021 /nfs/dbraw/zinc/18/90/21/569189021.db2.gz YVEOFOWVGGOEFV-WSDLNYQXSA-N 0 0 446.915 6.032 50 30 IKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 ZINC000252589162 569191732 /nfs/dbraw/zinc/19/17/32/569191732.db2.gz AHQRGEMLHBQZBL-UHFFFAOYSA-N 0 0 426.816 5.181 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 ZINC000252589311 569191764 /nfs/dbraw/zinc/19/17/64/569191764.db2.gz AINQTJXLCMPTIW-SIFMURAYSA-N 0 0 428.557 6.062 50 30 IKEARN O=[N+]([O-])c1cc(-c2ccc(C=Nc3nc4ccccn4c3-c3ccco3)o2)ccc1Cl ZINC000252591159 569192529 /nfs/dbraw/zinc/19/25/29/569192529.db2.gz AYBYEPHXICIWIQ-UHFFFAOYSA-N 0 0 432.823 6.167 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1c1ccccc1C ZINC000252593547 569192838 /nfs/dbraw/zinc/19/28/38/569192838.db2.gz BKUSRCLCTMTBJE-MBTIHVDPSA-N 0 0 436.939 6.905 50 30 IKEARN CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000252593520 569192855 /nfs/dbraw/zinc/19/28/55/569192855.db2.gz BKLPEKOJKKUVLX-XMMPIXPASA-N 0 0 438.358 5.761 50 30 IKEARN Clc1ccccc1/C=C\C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000252594602 569192936 /nfs/dbraw/zinc/19/29/36/569192936.db2.gz BTYMLZPPNWAYDA-DUGMZGOWSA-N 0 0 437.724 7.326 50 30 IKEARN CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1cccc2ccccc21 ZINC000252594295 569192944 /nfs/dbraw/zinc/19/29/44/569192944.db2.gz BQLAPSVLVYMZJW-HSZRJFAPSA-N 0 0 439.540 5.583 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1ccc2nc(-c3ccc4ccccc4c3)oc2c1 ZINC000252595543 569193036 /nfs/dbraw/zinc/19/30/36/569193036.db2.gz CBWTVGWRYIPPEQ-UHFFFAOYSA-N 0 0 443.300 6.867 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 ZINC000252595491 569193049 /nfs/dbraw/zinc/19/30/49/569193049.db2.gz CAUZIJFGNYRKKO-SFHVURJKSA-N 0 0 447.482 5.160 50 30 IKEARN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O ZINC000252595567 569193053 /nfs/dbraw/zinc/19/30/53/569193053.db2.gz CCIADQUOKKTSCR-ZIHRUFSKSA-N 0 0 426.538 5.060 50 30 IKEARN O=C(/C=C\c1ccc(Br)cc1)Oc1ccc(C=Nc2ccc(Cl)cc2)cc1 ZINC000252596313 569193305 /nfs/dbraw/zinc/19/33/05/569193305.db2.gz CIHHNIOZHNJFRI-IOMJMWMXSA-N 0 0 440.724 6.472 50 30 IKEARN Cc1cc(C=[NH+][N-]c2cccc3cccnc32)cc(C=NNc2cccc3cccnc32)c1O ZINC000252595364 569193193 /nfs/dbraw/zinc/19/31/93/569193193.db2.gz CAJKUNQVRKQFLC-UHFFFAOYSA-N 0 0 446.514 5.689 50 30 IKEARN COC(=O)c1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 ZINC000252596796 569193253 /nfs/dbraw/zinc/19/32/53/569193253.db2.gz CMLPCGAZLNCEMU-MVPHNGGASA-N 0 0 442.540 5.899 50 30 IKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(C=Nc2ccc(Cl)cc2)cc1 ZINC000252596311 569193320 /nfs/dbraw/zinc/19/33/20/569193320.db2.gz CIHHNIOZHNJFRI-CTTWKOHPSA-N 0 0 440.724 6.472 50 30 IKEARN CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc32)SC1=Nc1ccc(C)cc1 ZINC000252600416 569193420 /nfs/dbraw/zinc/19/34/20/569193420.db2.gz DQXVIDBRVRIHAD-SIFMURAYSA-N 0 0 430.573 6.561 50 30 IKEARN CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)SC1=Nc1ccc(C)cc1 ZINC000252600415 569193423 /nfs/dbraw/zinc/19/34/23/569193423.db2.gz DQXVIDBRVRIHAD-DNKROPNVSA-N 0 0 430.573 6.561 50 30 IKEARN CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 ZINC000252599484 569193492 /nfs/dbraw/zinc/19/34/92/569193492.db2.gz DJXCHFFEDDAQMU-IBGZPJMESA-N 0 0 429.973 5.409 50 30 IKEARN CCCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252599760 569193504 /nfs/dbraw/zinc/19/35/04/569193504.db2.gz DLGWNTCNKOEYDP-KAWQFOENSA-N 0 0 430.957 5.761 50 30 IKEARN O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn32)ccc1Br ZINC000252599928 569193673 /nfs/dbraw/zinc/19/36/73/569193673.db2.gz DMYFXGQEPTYKMW-UHFFFAOYSA-N 0 0 445.660 5.669 50 30 IKEARN N#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002207974 569193833 /nfs/dbraw/zinc/19/38/33/569193833.db2.gz XWKNYQBLKSQUIU-UHFFFAOYSA-N 0 0 427.573 5.332 50 30 IKEARN Clc1ccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl ZINC000252601415 569193916 /nfs/dbraw/zinc/19/39/16/569193916.db2.gz FAGKMJJHPRBFMV-UHFFFAOYSA-N 0 0 446.131 7.315 50 30 IKEARN C=CCn1cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21 ZINC000252602757 569194025 /nfs/dbraw/zinc/19/40/25/569194025.db2.gz FKXSELWWZVAVTQ-JXJWTFEASA-N 0 0 445.544 5.238 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000252604829 569194289 /nfs/dbraw/zinc/19/42/89/569194289.db2.gz GDWOIBUCYZPXAM-SBEYKLCGSA-N 0 0 440.568 6.677 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000252604828 569194292 /nfs/dbraw/zinc/19/42/92/569194292.db2.gz GDWOIBUCYZPXAM-OFGWUVNBSA-N 0 0 440.568 6.677 50 30 IKEARN COc1cc(Br)c(Br)c(C=Nc2ccc3ccccc3c2)c1O ZINC000252607319 569194662 /nfs/dbraw/zinc/19/46/62/569194662.db2.gz HAGNHINXYCWZFP-UHFFFAOYSA-N 0 0 435.115 5.830 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000252608173 569195213 /nfs/dbraw/zinc/19/52/13/569195213.db2.gz HHSWCDIMZGCQOS-YOIRLTMBSA-N 0 0 431.561 6.113 50 30 IKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000252609376 569195351 /nfs/dbraw/zinc/19/53/51/569195351.db2.gz HSSKSTDPRUHTLN-UHFFFAOYSA-N 0 0 435.823 5.844 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2sccc2C)C(=O)N1c1ccccc1CC ZINC000252611293 569197282 /nfs/dbraw/zinc/19/72/82/569197282.db2.gz IISNDDMLSLRENI-MPVWDOOLSA-N 0 0 432.614 6.990 50 30 IKEARN C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O ZINC000252613255 569197399 /nfs/dbraw/zinc/19/73/99/569197399.db2.gz JACQLCOQEXLMCM-XMIRZNSJSA-N 0 0 448.588 6.066 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)SC1=Nc1cccc(Cl)c1C ZINC000252614607 569197499 /nfs/dbraw/zinc/19/74/99/569197499.db2.gz JKQDMARGBGWDEQ-FQEVSTJZSA-N 0 0 441.984 5.357 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)ON=C1c2ccccc2-c2ccccc2C1=O ZINC000252615832 569197533 /nfs/dbraw/zinc/19/75/33/569197533.db2.gz JVRBOXDBWSYVGC-UHFFFAOYSA-N 0 0 428.447 5.650 50 30 IKEARN CCOc1cccc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O ZINC000252614194 569197543 /nfs/dbraw/zinc/19/75/43/569197543.db2.gz JGVNGGKGSNSQAK-UHFFFAOYSA-N 0 0 437.293 6.112 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1C ZINC000252614478 569197544 /nfs/dbraw/zinc/19/75/44/569197544.db2.gz JKBFETATFPMYJS-FQEVSTJZSA-N 0 0 441.984 5.412 50 30 IKEARN COCCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=Nc1ccccc1 ZINC000252614948 569197581 /nfs/dbraw/zinc/19/75/81/569197581.db2.gz JNZDVOKXDPDMSP-SXBLMXAXSA-N 0 0 436.558 5.681 50 30 IKEARN Cc1c(N=Cc2ccc(Sc3nc4ccccc4s3)o2)c(=O)n(-c2ccccc2)n1C ZINC000252616789 569197715 /nfs/dbraw/zinc/19/77/15/569197715.db2.gz KFIGDALUGGHDDJ-UHFFFAOYSA-N 0 0 446.557 5.589 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1ccc(C)c(Cl)c1 ZINC000252617475 569197755 /nfs/dbraw/zinc/19/77/55/569197755.db2.gz KTPDPPXJUVXQGD-FQEVSTJZSA-N 0 0 441.984 5.412 50 30 IKEARN C(=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccco1 ZINC000252618096 569197938 /nfs/dbraw/zinc/19/79/38/569197938.db2.gz LDRPNWYYHFXLJS-UHFFFAOYSA-N 0 0 449.539 6.683 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)N(CC)C1=O ZINC000252620134 569199179 /nfs/dbraw/zinc/19/91/79/569199179.db2.gz LXYQEMYXQSEUKH-SIFMURAYSA-N 0 0 430.573 6.561 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 ZINC000252620711 569199287 /nfs/dbraw/zinc/19/92/87/569199287.db2.gz MKGALFJXTVPANF-OUCYFQBSSA-N 0 0 431.355 5.254 50 30 IKEARN CC(=NOC(=O)Nc1c(C)cc(C)cc1C)C(C)=NOC(=O)Nc1c(C)cc(C)cc1C ZINC000252620606 569199316 /nfs/dbraw/zinc/19/93/16/569199316.db2.gz MHTREIHYARNRFW-UHFFFAOYSA-N 0 0 438.528 6.086 50 30 IKEARN COc1ccc(Cl)cc1/C=C1/SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000252621153 569201630 /nfs/dbraw/zinc/20/16/30/569201630.db2.gz MTZVPOYKYSIUND-ZRAGWZJNSA-N 0 0 448.975 6.774 50 30 IKEARN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000252620931 569201652 /nfs/dbraw/zinc/20/16/52/569201652.db2.gz MPKUGXXCDXKNSL-ARKVWGHASA-N 0 0 430.529 5.826 50 30 IKEARN O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000252621706 569201771 /nfs/dbraw/zinc/20/17/71/569201771.db2.gz NFCGDKANQDHJRW-PYYWQZPNSA-N 0 0 449.373 6.253 50 30 IKEARN O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000252621707 569201774 /nfs/dbraw/zinc/20/17/74/569201774.db2.gz NFCGDKANQDHJRW-XOLKAKTPSA-N 0 0 449.373 6.253 50 30 IKEARN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1C=NN(c1ccccc1)c1ccccc1 ZINC000252622614 569201864 /nfs/dbraw/zinc/20/18/64/569201864.db2.gz NZEQKBVZJTZYTG-UHFFFAOYSA-N 0 0 427.504 5.916 50 30 IKEARN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 ZINC000252622139 569201927 /nfs/dbraw/zinc/20/19/27/569201927.db2.gz NPPZODLAYACBGU-UHFFFAOYSA-N 0 0 448.548 5.217 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252622932 569202032 /nfs/dbraw/zinc/20/20/32/569202032.db2.gz OGDLPSCUKHXIFJ-SBEYKLCGSA-N 0 0 442.584 6.629 50 30 IKEARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N=Cc2cccc(O)c2)cc1 ZINC000252623922 569202468 /nfs/dbraw/zinc/20/24/68/569202468.db2.gz PCGUWBRHDCFUJW-UHFFFAOYSA-N 0 0 427.504 5.021 50 30 IKEARN COc1c(Cl)cc(Cl)cc1C=NNc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000252624376 569202612 /nfs/dbraw/zinc/20/26/12/569202612.db2.gz PMVJDQLSLSKLIK-UHFFFAOYSA-N 0 0 446.315 5.678 50 30 IKEARN CC(=O)Oc1ccc(-c2ccc(C=Nc3ccccc3-c3nc4ccccc4s3)cc2)cc1 ZINC000252624272 569202646 /nfs/dbraw/zinc/20/26/46/569202646.db2.gz PKMWEESBDJNQFX-UHFFFAOYSA-N 0 0 448.547 7.306 50 30 IKEARN Brc1cccc(-c2nc3cc(N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)c1 ZINC000252624252 569202666 /nfs/dbraw/zinc/20/26/66/569202666.db2.gz PKDUHMHSMTVTIK-MMFJBHRBSA-N 0 0 447.288 6.402 50 30 IKEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c(C)c1 ZINC000252624474 569202804 /nfs/dbraw/zinc/20/28/04/569202804.db2.gz POLQYPVNZHMTEU-QHCPKHFHSA-N 0 0 443.572 5.464 50 30 IKEARN CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc12 ZINC000252626123 569203189 /nfs/dbraw/zinc/20/31/89/569203189.db2.gz QXBDYDYTACEPOV-CMEWOCMCSA-N 0 0 432.545 5.489 50 30 IKEARN Cc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1 ZINC000252625634 569203199 /nfs/dbraw/zinc/20/31/99/569203199.db2.gz QOFSONJZHICVCA-CCFCEYMNSA-N 0 0 432.614 7.099 50 30 IKEARN Cc1ccc([C@@]2(C(F)(F)F)NC(=S)N(c3ccccc3)C(=Nc3ccccc3)O2)cc1 ZINC000252626580 569203367 /nfs/dbraw/zinc/20/33/67/569203367.db2.gz RBRWXIOFTJHVEM-JOCHJYFZSA-N 0 0 441.478 5.809 50 30 IKEARN COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC ZINC000252626585 569203412 /nfs/dbraw/zinc/20/34/12/569203412.db2.gz RBRZIZZMGSUBAI-MLSYBWHESA-N 0 0 444.556 6.129 50 30 IKEARN COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(C2CCCCC2)C1=O ZINC000252627389 569203507 /nfs/dbraw/zinc/20/35/07/569203507.db2.gz RTFKJFICWLAVQA-OFGWUVNBSA-N 0 0 442.584 6.785 50 30 IKEARN Clc1ccc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c(Cl)c1 ZINC000252627377 569203557 /nfs/dbraw/zinc/20/35/57/569203557.db2.gz RSYYKYVSEDRBCR-UHFFFAOYSA-N 0 0 435.141 7.366 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 ZINC000252628269 569203652 /nfs/dbraw/zinc/20/36/52/569203652.db2.gz SMEIBFKIOWIDLV-ARKVWGHASA-N 0 0 434.561 5.914 50 30 IKEARN CCOC(=O)c1c2c(sc1N=Cc1ccc(-c3cccc(Cl)c3Cl)o1)CCCC2 ZINC000252628047 569203661 /nfs/dbraw/zinc/20/36/61/569203661.db2.gz SHDDNQZAXJKIKO-UHFFFAOYSA-N 0 0 448.371 7.121 50 30 IKEARN Cc1nn(C)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2 ZINC000252628667 569203786 /nfs/dbraw/zinc/20/37/86/569203786.db2.gz SVHWGRXZNDGIFN-GOSISDBHSA-N 0 0 440.657 5.754 50 30 IKEARN CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OC)c1 ZINC000252629601 569203931 /nfs/dbraw/zinc/20/39/31/569203931.db2.gz UJUOMSBOBXQIEM-IBORXNHRSA-N 0 0 439.581 5.174 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 ZINC000252630666 569204105 /nfs/dbraw/zinc/20/41/05/569204105.db2.gz VCUUGNMDCWTESF-ZRAGWZJNSA-N 0 0 448.519 5.647 50 30 IKEARN Cc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1C ZINC000252632240 569204824 /nfs/dbraw/zinc/20/48/24/569204824.db2.gz VRFOJGVOSGWCFI-PMERELPUSA-N 0 0 429.567 7.410 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc21 ZINC000252632016 569204846 /nfs/dbraw/zinc/20/48/46/569204846.db2.gz VOFBKTRGDNDUCS-JOCHJYFZSA-N 0 0 429.545 5.295 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C ZINC000252632067 569204853 /nfs/dbraw/zinc/20/48/53/569204853.db2.gz VPPYNVKVOBODLN-DNKROPNVSA-N 0 0 427.573 6.178 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(I)cc2)SC1=Nc1ccccc1 ZINC000252633847 569206027 /nfs/dbraw/zinc/20/60/27/569206027.db2.gz WHFMYQWZAVJVBL-FZECDQFNSA-N 0 0 446.313 5.081 50 30 IKEARN CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1 ZINC000252635663 569207921 /nfs/dbraw/zinc/20/79/21/569207921.db2.gz WZCYQMKGKHOEPA-CUCKYGFWSA-N 0 0 425.579 5.469 50 30 IKEARN COc1cc(Br)cc(C=Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1O ZINC000252636566 569208139 /nfs/dbraw/zinc/20/81/39/569208139.db2.gz XKHOMWKYBJAXMY-UHFFFAOYSA-N 0 0 439.309 5.475 50 30 IKEARN CCCCc1ccc(N=C2C=C(Nc3ccc(CCCC)cc3)C(=O)c3ccccc32)cc1 ZINC000252636151 569208141 /nfs/dbraw/zinc/20/81/41/569208141.db2.gz XFHRUCDNXCSWNQ-UHFFFAOYSA-N 0 0 436.599 7.685 50 30 IKEARN C(=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1)c1c2ccccc2cc2ccccc21 ZINC000252640251 569208521 /nfs/dbraw/zinc/20/85/21/569208521.db2.gz YSAXLRRQBDQJRM-UHFFFAOYSA-N 0 0 436.563 5.429 50 30 IKEARN CN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252641995 569209450 /nfs/dbraw/zinc/20/94/50/569209450.db2.gz ZHUTWQVIPWXUAC-CSFSZXLXSA-N 0 0 445.569 6.083 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252642720 569209496 /nfs/dbraw/zinc/20/94/96/569209496.db2.gz ZOXAJRNZBHQPAZ-OFGWUVNBSA-N 0 0 440.568 6.677 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc21 ZINC000002233668 569210818 /nfs/dbraw/zinc/21/08/18/569210818.db2.gz IMKCLEUPKFBIRI-UHFFFAOYSA-N 0 0 432.524 5.292 50 30 IKEARN Cc1ccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c(C)c1 ZINC000003081534 569213135 /nfs/dbraw/zinc/21/31/35/569213135.db2.gz XZGMOMHNRZQCNW-JQUAZWMLSA-N 0 0 434.333 6.435 50 30 IKEARN Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(Cl)c1 ZINC000003113172 569213231 /nfs/dbraw/zinc/21/32/31/569213231.db2.gz VWMGPUMGLYXDFB-KIBLKLHPSA-N 0 0 436.125 7.859 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000003202780 569213273 /nfs/dbraw/zinc/21/32/73/569213273.db2.gz VSMHVIQWDWYILH-HXUWFJFHSA-N 0 0 446.385 5.396 50 30 IKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002244523 569213857 /nfs/dbraw/zinc/21/38/57/569213857.db2.gz MVXKXIHANMCASH-JOCHJYFZSA-N 0 0 444.874 5.156 50 30 IKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002244521 569213888 /nfs/dbraw/zinc/21/38/88/569213888.db2.gz MVXKXIHANMCASH-QFIPXVFZSA-N 0 0 444.874 5.156 50 30 IKEARN Cc1ccccc1NC1=NC(=S)N(c2cccc(Cl)c2)C12CCC(C(C)(C)C)CC2 ZINC000027471917 569213944 /nfs/dbraw/zinc/21/39/44/569213944.db2.gz KMKUMTGWZWSLBA-UHFFFAOYSA-N 0 0 440.056 7.048 50 30 IKEARN CCCCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C1CCCC1)c2=O ZINC000002246934 569214491 /nfs/dbraw/zinc/21/44/91/569214491.db2.gz OMTNDUTWNVSQMM-UHFFFAOYSA-N 0 0 431.584 6.078 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 ZINC000002248798 569214773 /nfs/dbraw/zinc/21/47/73/569214773.db2.gz MBEVVNJRKJPSEU-JAIQZWGSSA-N 0 0 443.355 6.762 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000002260158 569215164 /nfs/dbraw/zinc/21/51/64/569215164.db2.gz RPFZJXLUJIFQGY-UHFFFAOYSA-N 0 0 448.349 5.256 50 30 IKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002258471 569215256 /nfs/dbraw/zinc/21/52/56/569215256.db2.gz UIUYURTYOATAQH-UHFFFAOYSA-N 0 0 443.597 5.798 50 30 IKEARN N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCC4)cc1 ZINC000002260438 569215616 /nfs/dbraw/zinc/21/56/16/569215616.db2.gz DWTZAFBWMOFVEK-UHFFFAOYSA-N 0 0 449.988 5.753 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002266982 569216364 /nfs/dbraw/zinc/21/63/64/569216364.db2.gz RPLALAOIZYUTQC-UHFFFAOYSA-N 0 0 428.601 6.326 50 30 biogenic IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000002255637 569216756 /nfs/dbraw/zinc/21/67/56/569216756.db2.gz DWOIAUIMPXLSLC-PMERELPUSA-N 0 0 429.563 7.816 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000002273401 569217793 /nfs/dbraw/zinc/21/77/93/569217793.db2.gz NWSONGAQAWTJGO-PMERELPUSA-N 0 0 431.535 7.092 50 30 IKEARN CCCCCCCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)COC(C)(C)C3 ZINC000002277083 569217872 /nfs/dbraw/zinc/21/78/72/569217872.db2.gz XDSGSDSFUSKQMN-UHFFFAOYSA-N 0 0 437.609 5.695 50 30 IKEARN N#Cc1c2c(sc1/N=c1\oc3ccccc3cc1C(=O)Nc1ccc(F)cc1)CCCC2 ZINC000027520359 569218034 /nfs/dbraw/zinc/21/80/34/569218034.db2.gz AQNVJVRGELHBHW-OLFWJLLRSA-N 0 0 443.503 5.869 50 30 IKEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000027519510 569218114 /nfs/dbraw/zinc/21/81/14/569218114.db2.gz FHXJVWVBTMCULZ-STZFKDTASA-N 0 0 431.473 5.065 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000004350027 569256637 /nfs/dbraw/zinc/25/66/37/569256637.db2.gz IKAYYSYGCHKPAB-RLYIJJBNSA-N 0 0 443.716 6.987 50 30 IKEARN O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2 ZINC000103601851 569262292 /nfs/dbraw/zinc/26/22/92/569262292.db2.gz BKKRLVHCZBNMPL-VULFUBBASA-N 0 0 426.488 6.231 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257347668 569263102 /nfs/dbraw/zinc/26/31/02/569263102.db2.gz PMBSWZWCNKVWLV-CJVNXMJMSA-N 0 0 442.684 7.139 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]12C ZINC000257347874 569263243 /nfs/dbraw/zinc/26/32/43/569263243.db2.gz XRLBQELEYBVDHJ-ADFPIKBVSA-N 0 0 444.612 5.265 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(Cl)c(Cl)cc1Cl ZINC000017729716 569263939 /nfs/dbraw/zinc/26/39/39/569263939.db2.gz XGMFVOLXRUHPNU-UHFFFAOYSA-N 0 0 429.738 6.934 50 30 IKEARN COc1cc(C=NN2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1 ZINC000238937452 569268688 /nfs/dbraw/zinc/26/86/88/569268688.db2.gz VNDRUXQCBKDZQX-UHFFFAOYSA-N 0 0 449.982 5.079 50 30 IKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000239025278 569268698 /nfs/dbraw/zinc/26/86/98/569268698.db2.gz BIQMPKOUVFGZMK-UHFFFAOYSA-N 0 0 436.584 6.720 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccc(OCC)cc1 ZINC000244773931 569269255 /nfs/dbraw/zinc/26/92/55/569269255.db2.gz PIWVVAJPRBWCKN-UHFFFAOYSA-N 0 0 445.544 5.879 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226588 569269448 /nfs/dbraw/zinc/26/94/48/569269448.db2.gz FFPWFNSTHNZZLR-LOODEUFTSA-N 0 0 448.636 6.356 50 30 biogenic IKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21 ZINC000248114366 569270347 /nfs/dbraw/zinc/27/03/47/569270347.db2.gz ZJUABQDERHSYQM-RTJMFUJLSA-N 0 0 440.605 5.634 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O ZINC000252467473 569271258 /nfs/dbraw/zinc/27/12/58/569271258.db2.gz NDZYXAXWOZOQAQ-QNIXWYMOSA-N 0 0 434.624 5.884 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547167 569271318 /nfs/dbraw/zinc/27/13/18/569271318.db2.gz IMHRVJQTZDTWAW-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000027547202 569271335 /nfs/dbraw/zinc/27/13/35/569271335.db2.gz VRJMMVCEVLBWOQ-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN Cc1cc(Cl)c(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000002306794 569271791 /nfs/dbraw/zinc/27/17/91/569271791.db2.gz TZWGFLJJIXSACP-ZMOGYAJESA-N 0 0 449.359 5.193 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O ZINC000252628824 569272036 /nfs/dbraw/zinc/27/20/36/569272036.db2.gz SYSLHZGKUNLUIS-ARSUIZBYSA-N 0 0 442.968 5.522 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 ZINC000002318226 569272566 /nfs/dbraw/zinc/27/25/66/569272566.db2.gz XSSHVKXHRXHXKQ-QGZVFWFLSA-N 0 0 438.662 6.575 50 30 IKEARN N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 ZINC000027562270 569272573 /nfs/dbraw/zinc/27/25/73/569272573.db2.gz HHQKEFVOSYUGJJ-UHFFFAOYSA-N 0 0 438.506 5.192 50 30 IKEARN CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253498264 569272868 /nfs/dbraw/zinc/27/28/68/569272868.db2.gz AHBKIEXBQNRDNL-BALJLQBRSA-N 0 0 448.603 5.744 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O ZINC000253531309 569272990 /nfs/dbraw/zinc/27/29/90/569272990.db2.gz NDZYXAXWOZOQAQ-SMJCXGKWSA-N 0 0 434.624 5.884 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253505643 569273038 /nfs/dbraw/zinc/27/30/38/569273038.db2.gz VOETZVYTDQTIBX-KXJXYGFHSA-N 0 0 446.588 5.239 50 30 biogenic IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 ZINC000253614947 569273405 /nfs/dbraw/zinc/27/34/05/569273405.db2.gz MQYXUWHLBZFQQO-RDHHTWSDSA-N 0 0 426.729 8.025 50 30 in-vitro IKEARN Clc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000254405269 569273828 /nfs/dbraw/zinc/27/38/28/569273828.db2.gz ZFQPOMJPQNFCKO-UHFFFAOYSA-N 0 0 445.349 8.287 50 30 IKEARN CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 ZINC000254814773 569273939 /nfs/dbraw/zinc/27/39/39/569273939.db2.gz MTQXMUIZZNAIMP-KRWDZBQOSA-N 0 0 444.556 5.975 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 ZINC000002334895 569274689 /nfs/dbraw/zinc/27/46/89/569274689.db2.gz VAKSSZJZCBSMCS-GOSISDBHSA-N 0 0 430.552 5.903 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000002344069 569275327 /nfs/dbraw/zinc/27/53/27/569275327.db2.gz JWWCACHAGZHTNP-SNVBAGLBSA-N 0 0 446.022 5.739 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 ZINC000257346690 569279906 /nfs/dbraw/zinc/27/99/06/569279906.db2.gz KNJVWAVLNHNHKV-ZIYCWJKGSA-N 0 0 430.654 6.502 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348493 569280184 /nfs/dbraw/zinc/28/01/84/569280184.db2.gz GCRIWPLHBVKSPY-KFCWQGMRSA-N 0 0 444.612 5.265 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257349270 569280396 /nfs/dbraw/zinc/28/03/96/569280396.db2.gz MXIKNOBYVNLDDR-RHQYYJBRSA-N 0 0 430.677 7.378 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349273 569280401 /nfs/dbraw/zinc/28/04/01/569280401.db2.gz MXIKNOBYVNLDDR-YNWXXKOKSA-N 0 0 430.677 7.378 50 30 IKEARN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]6O[C@H]6C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 ZINC000257350249 569280546 /nfs/dbraw/zinc/28/05/46/569280546.db2.gz VXMOMCPHHMOJSD-CUHHPFSCSA-N 0 0 440.712 7.300 50 30 IKEARN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]12 ZINC000257350251 569280553 /nfs/dbraw/zinc/28/05/53/569280553.db2.gz VXMOMCPHHMOJSD-QRLBPNHNSA-N 0 0 440.712 7.300 50 30 IKEARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@]21C ZINC000257350121 569280558 /nfs/dbraw/zinc/28/05/58/569280558.db2.gz UXGWFWJQNSRBBQ-HJYXIWIOSA-N 0 0 426.685 7.895 50 30 IKEARN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]12 ZINC000257350250 569280565 /nfs/dbraw/zinc/28/05/65/569280565.db2.gz VXMOMCPHHMOJSD-CUIZDHDASA-N 0 0 440.712 7.300 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1 ZINC000257350202 569280574 /nfs/dbraw/zinc/28/05/74/569280574.db2.gz VOPZSPZAIPUPAF-CRMXZAKTSA-N 0 0 444.637 5.681 50 30 IKEARN CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@H]3CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1 ZINC000257350340 569280648 /nfs/dbraw/zinc/28/06/48/569280648.db2.gz WKPPTKDUKHFXEE-OGAQMIMUSA-N 0 0 428.701 7.276 50 30 IKEARN C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@@]1(O)C1=CCCC[C@H]1[Si](C)(C)c1ccccc1)C2(C)C ZINC000257355464 569280743 /nfs/dbraw/zinc/28/07/43/569280743.db2.gz AUXKMQHVEKOAFZ-YEEPMTPTSA-N 0 0 440.700 5.425 50 30 IKEARN CCCC1(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)C(=O)OC2(CCCCC2)OC1=O ZINC000257354954 569280771 /nfs/dbraw/zinc/28/07/71/569280771.db2.gz GQONRLKFRLHMSB-UHFFFAOYSA-N 0 0 442.327 5.060 50 30 IKEARN C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O ZINC000257357609 569280859 /nfs/dbraw/zinc/28/08/59/569280859.db2.gz PBCULPOTNCGYFY-JBUIQZJLSA-N 0 0 442.596 5.328 50 30 IKEARN CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3cccc(N(C)C)c3)C[C@@]21C ZINC000257357204 569280894 /nfs/dbraw/zinc/28/08/94/569280894.db2.gz MREOZLCREPXSCQ-OOQVWVMQSA-N 0 0 429.604 5.407 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]21C ZINC000257358969 569280933 /nfs/dbraw/zinc/28/09/33/569280933.db2.gz XRLBQELEYBVDHJ-DIOBBKKZSA-N 0 0 444.612 5.265 50 30 IKEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257358208 569281001 /nfs/dbraw/zinc/28/10/01/569281001.db2.gz SDPXLBMMNBJQCT-IMFLAHHJSA-N 0 0 449.635 5.201 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000002347938 569281047 /nfs/dbraw/zinc/28/10/47/569281047.db2.gz CDXXXPXFENUARQ-BQYFSVDLSA-N 0 0 433.552 6.003 50 30 IKEARN O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(/C=N/OCc2ccc(Cl)cc2)c1 ZINC000263639765 569282431 /nfs/dbraw/zinc/28/24/31/569282431.db2.gz IAJBIAKAIMQPBU-BRJLIKDPSA-N 0 0 441.837 5.578 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000253497755 569283269 /nfs/dbraw/zinc/28/32/69/569283269.db2.gz ANTLLZHQDMIOLB-SWOQURJZSA-N 0 0 447.446 6.959 50 30 biogenic IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000253497860 569283280 /nfs/dbraw/zinc/28/32/80/569283280.db2.gz UELTYJDTQILMTO-FDXZEAEASA-N 0 0 446.553 6.671 50 30 IKEARN CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@H](O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000253498918 569283284 /nfs/dbraw/zinc/28/32/84/569283284.db2.gz AYNSZTKDERUHKJ-VJVIHOGHSA-N 0 0 431.620 5.198 50 30 biogenic IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O ZINC000253499676 569283296 /nfs/dbraw/zinc/28/32/96/569283296.db2.gz OMJIZRMQBBHMOY-KLMFZDCXSA-N 0 0 441.453 7.444 50 30 biogenic IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000253528838 569283804 /nfs/dbraw/zinc/28/38/04/569283804.db2.gz FHIHDASURXFVSB-XGHQDHGPSA-N 0 0 444.585 7.913 50 30 IKEARN C=C(C)[C@@H]1CC[C@@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253531386 569283881 /nfs/dbraw/zinc/28/38/81/569283881.db2.gz IIMYCYVBVMITJJ-LYZQDOKNSA-N 0 0 425.657 6.062 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253530453 569283962 /nfs/dbraw/zinc/28/39/62/569283962.db2.gz FELCJAPFJOPHSD-MEBXIWODSA-N 0 0 440.712 7.204 50 30 biogenic IKEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000000662165 569284866 /nfs/dbraw/zinc/28/48/66/569284866.db2.gz OKACLCPARSTMFC-UHFFFAOYSA-N 0 0 443.450 5.378 50 30 IKEARN CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OCC)c1OCC ZINC000000655518 569284888 /nfs/dbraw/zinc/28/48/88/569284888.db2.gz ICSJIABNFIJZDY-AWEZNQCLSA-N 0 0 428.554 5.193 50 30 IKEARN C[C@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000000658692 569284924 /nfs/dbraw/zinc/28/49/24/569284924.db2.gz TWYXZUGWLLZXOA-ZDUSSCGKSA-N 0 0 447.507 5.670 50 30 IKEARN CC1(C)Cc2nc(SCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c2C(=O)C1 ZINC000000630355 569284951 /nfs/dbraw/zinc/28/49/51/569284951.db2.gz IOXKJKGZCCZRES-UHFFFAOYSA-N 0 0 426.541 5.750 50 30 IKEARN CCc1nn(-c2cc(Oc3cc(C)c(Cl)c(C)c3)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000632480 569284957 /nfs/dbraw/zinc/28/49/57/569284957.db2.gz DJYHEFRLZBDEPN-UHFFFAOYSA-N 0 0 444.926 5.408 50 30 IKEARN COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)cc1 ZINC000000714347 569285062 /nfs/dbraw/zinc/28/50/62/569285062.db2.gz WJBYJRAVQUVWIX-UHFFFAOYSA-N 0 0 435.574 5.300 50 30 IKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OCC)CCc1ccccc1-3 ZINC000002372583 569289237 /nfs/dbraw/zinc/28/92/37/569289237.db2.gz NFSSFHCYKUPWAF-UHFFFAOYSA-N 0 0 446.597 5.890 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3C#N)c2C#N)cc1 ZINC000008425533 569289712 /nfs/dbraw/zinc/28/97/12/569289712.db2.gz NBVJBJGRBZSWQY-UHFFFAOYSA-N 0 0 433.536 6.460 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3Cl)n2)cc1 ZINC000008445819 569289771 /nfs/dbraw/zinc/28/97/71/569289771.db2.gz ZTGDFZYDZGVDIW-UHFFFAOYSA-N 0 0 426.972 7.541 50 30 IKEARN CS[C@@H]1CCCC[C@@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008443532 569289813 /nfs/dbraw/zinc/28/98/13/569289813.db2.gz QIDCGABYEHXGCU-AOYPEHQESA-N 0 0 446.641 6.416 50 30 IKEARN Cc1c(C#N)c2nc3c(c(-c4ccc(Br)cc4)c2n1-c1ccccc1)CCC3 ZINC000008453864 569289931 /nfs/dbraw/zinc/28/99/31/569289931.db2.gz JJJCTWMABDWKEX-UHFFFAOYSA-N 0 0 428.333 6.124 50 30 IKEARN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@H]21 ZINC000008454386 569289951 /nfs/dbraw/zinc/28/99/51/569289951.db2.gz DVJCYWWUKJRSJW-WLJAXQAKSA-N 0 0 444.600 6.200 50 30 IKEARN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@@H]21 ZINC000008454387 569289984 /nfs/dbraw/zinc/28/99/84/569289984.db2.gz DVJCYWWUKJRSJW-PLWWPAAYSA-N 0 0 444.600 6.200 50 30 IKEARN N#CC1(C#N)[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000008873564 569291682 /nfs/dbraw/zinc/29/16/82/569291682.db2.gz YLXSTDGPKWLPCS-HOTGVXAUSA-N 0 0 435.108 5.142 50 30 IKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000002380451 569291703 /nfs/dbraw/zinc/29/17/03/569291703.db2.gz ZBSSXSFLXRTPFG-HSZRJFAPSA-N 0 0 427.456 5.005 50 30 IKEARN N#Cc1c(/C=C/c2ccccc2F)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 ZINC000008873674 569291761 /nfs/dbraw/zinc/29/17/61/569291761.db2.gz ZNUCKXWUCRGMHX-PKNBQFBNSA-N 0 0 446.437 5.870 50 30 IKEARN N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1Sc1ccc(Br)cc1 ZINC000008873862 569291771 /nfs/dbraw/zinc/29/17/71/569291771.db2.gz RTOVDEDQDNXLPZ-UHFFFAOYSA-N 0 0 435.268 6.553 50 30 IKEARN COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008888217 569291894 /nfs/dbraw/zinc/29/18/94/569291894.db2.gz NSHLIMBWNHJGRP-MELLPFMNSA-N 0 0 441.861 5.992 50 30 IKEARN C/C(=N\OCc1ccc(Cl)cc1)C(Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 ZINC000008925728 569292454 /nfs/dbraw/zinc/29/24/54/569292454.db2.gz PPCILYFNQNVAEI-RWPZCVJISA-N 0 0 448.781 6.431 50 30 IKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccc(OC)c(OC)c1 ZINC000009008931 569292858 /nfs/dbraw/zinc/29/28/58/569292858.db2.gz SXEVFMVPVOXNKA-UHFFFAOYSA-N 0 0 442.563 5.682 50 30 IKEARN CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccc(C#N)cc1 ZINC000009095786 569293641 /nfs/dbraw/zinc/29/36/41/569293641.db2.gz RHLWSVYUPLMXDL-UHFFFAOYSA-N 0 0 442.544 5.185 50 30 IKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Br)cc1 ZINC000009086162 569293694 /nfs/dbraw/zinc/29/36/94/569293694.db2.gz UDSWMTLCRITWHE-UHFFFAOYSA-N 0 0 433.353 6.516 50 30 IKEARN N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000009226942 569294555 /nfs/dbraw/zinc/29/45/55/569294555.db2.gz MDBQULVXILALOA-NRFANRHFSA-N 0 0 447.494 5.477 50 30 IKEARN CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C#N ZINC000009311623 569295195 /nfs/dbraw/zinc/29/51/95/569295195.db2.gz LSVYXRZLQYOFKS-ZVHZXABRSA-N 0 0 437.495 5.826 50 30 IKEARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1 ZINC000009526161 569297170 /nfs/dbraw/zinc/29/71/70/569297170.db2.gz TZQHIAKUWMGMEL-GOSISDBHSA-N 0 0 440.528 5.254 50 30 IKEARN N#Cc1c(NC(=O)c2cc(I)ccc2Cl)sc2c1CCCC2 ZINC000009553628 569297205 /nfs/dbraw/zinc/29/72/05/569297205.db2.gz VWLMXCNKSVPEOJ-UHFFFAOYSA-N 0 0 442.709 5.009 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002391119 569297682 /nfs/dbraw/zinc/29/76/82/569297682.db2.gz SASRTEMTTLUYIA-UHFFFAOYSA-N 0 0 446.507 5.012 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C1CCCCC1 ZINC000002405576 569300152 /nfs/dbraw/zinc/30/01/52/569300152.db2.gz AUTSBAJUYOZATP-NDENLUEZSA-N 0 0 427.294 5.551 50 30 IKEARN CCOC(=O)c1ccc(C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000002410644 569300810 /nfs/dbraw/zinc/30/08/10/569300810.db2.gz NCQDISQJHZPPLB-PSCYQSDVSA-N 0 0 430.529 5.242 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000002420901 569302025 /nfs/dbraw/zinc/30/20/25/569302025.db2.gz UZAZPBNLZBDLQQ-UHFFFAOYSA-N 0 0 439.563 5.622 50 30 IKEARN Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc32)cc1C ZINC000002422089 569302149 /nfs/dbraw/zinc/30/21/49/569302149.db2.gz JVNIMISSLCTYON-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc(F)cc1 ZINC000002423517 569302185 /nfs/dbraw/zinc/30/21/85/569302185.db2.gz ASRLMKKVXIYNAT-JJFYIABZSA-N 0 0 426.802 5.496 50 30 IKEARN COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C#N)cc3)N2)cc1 ZINC000080324778 569303007 /nfs/dbraw/zinc/30/30/07/569303007.db2.gz DOFKCSOVVDYOFQ-ISKFKSNPSA-N 0 0 446.348 5.552 50 30 IKEARN COc1cc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(C)cc3)cc2)cc(OC)c1OC ZINC000011868049 569303084 /nfs/dbraw/zinc/30/30/84/569303084.db2.gz ZSEHRJAFDSMNJB-NTEUORMPSA-N 0 0 432.472 5.136 50 30 IKEARN CCOc1ccccc1/C=C1\Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O ZINC000011869312 569303120 /nfs/dbraw/zinc/30/31/20/569303120.db2.gz JWZJAEWAIXGUFI-FMCGGJTJSA-N 0 0 441.310 6.587 50 30 IKEARN O=C(/C=C/c1cccs1)c1cc(Br)ccc1OC(=O)c1ccc(F)cc1 ZINC000011867662 569303141 /nfs/dbraw/zinc/30/31/41/569303141.db2.gz XXYCLQLOGZYENR-CMDGGOBGSA-N 0 0 431.282 5.765 50 30 IKEARN CCOc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OCc1ccccc1 ZINC000011990460 569303459 /nfs/dbraw/zinc/30/34/59/569303459.db2.gz CWYGGVVOXBCACQ-JVWAILMASA-N 0 0 444.560 5.430 50 30 IKEARN COC(=O)c1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 ZINC000002436284 569303811 /nfs/dbraw/zinc/30/38/11/569303811.db2.gz LZINUTKQGSDHOE-FMCGGJTJSA-N 0 0 448.858 5.005 50 30 IKEARN CC(C)c1ccc(/C=N/n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002438774 569303963 /nfs/dbraw/zinc/30/39/63/569303963.db2.gz YFKBDSSHODDVQX-MUFRIFMGSA-N 0 0 448.530 5.425 50 30 IKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(OC)c2)cc1 ZINC000002442239 569304156 /nfs/dbraw/zinc/30/41/56/569304156.db2.gz YZMHUJLYEPBXBQ-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccccc3)c2ncn1CCC1=CCCCC1 ZINC000002449042 569304676 /nfs/dbraw/zinc/30/46/76/569304676.db2.gz KJFWCRIYVVBGFW-STBIYBPSSA-N 0 0 448.530 5.067 50 30 IKEARN COc1ccc([S@@](=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 ZINC000012952333 569305211 /nfs/dbraw/zinc/30/52/11/569305211.db2.gz NULPBHCJUKOVDF-LJAQVGFWSA-N 0 0 445.327 5.293 50 30 IKEARN N#Cc1ccc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)cc1 ZINC000012978122 569305689 /nfs/dbraw/zinc/30/56/89/569305689.db2.gz ANGPVBZSOTZICL-UHFFFAOYSA-N 0 0 446.601 5.092 50 30 IKEARN N#Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000013071097 569308990 /nfs/dbraw/zinc/30/89/90/569308990.db2.gz TYERXZCUZGYGAL-AREMUKBSSA-N 0 0 431.495 5.468 50 30 IKEARN CCc1cc(SCc2c(F)c(F)c(F)c(F)c2F)n2c3ccccc3nc2c1C#N ZINC000013098504 569309697 /nfs/dbraw/zinc/30/96/97/569309697.db2.gz BEMBBNWXMJJMLX-UHFFFAOYSA-N 0 0 433.405 5.909 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1C#N ZINC000013116884 569310147 /nfs/dbraw/zinc/31/01/47/569310147.db2.gz CNOOHCKNLJLFTL-UHFFFAOYSA-N 0 0 438.601 5.016 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c(c1-c1ccco1)CCCC2 ZINC000013117869 569310935 /nfs/dbraw/zinc/31/09/35/569310935.db2.gz FZWCZZJFNWEZOL-UHFFFAOYSA-N 0 0 441.915 5.615 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000013130043 569311242 /nfs/dbraw/zinc/31/12/42/569311242.db2.gz CZNOAZKYQSRTBM-QHCPKHFHSA-N 0 0 441.556 5.096 50 30 IKEARN COc1cc(/C=C/c2cc(-c3ccccc3)n3c4ccccc4nc3c2C#N)cc(OC)c1 ZINC000013134258 569311372 /nfs/dbraw/zinc/31/13/72/569311372.db2.gz UILJSONZIPIMSH-OUKQBFOZSA-N 0 0 431.495 6.214 50 30 IKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070665479 569315164 /nfs/dbraw/zinc/31/51/64/569315164.db2.gz HDTQUHRXMVKWMI-LYHQETOBSA-N 0 0 442.728 8.638 50 30 biogenic IKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC3CCCCC3)c2C#N)cc1 ZINC000013382094 569315210 /nfs/dbraw/zinc/31/52/10/569315210.db2.gz LFBIPYJILSEZLR-UHFFFAOYSA-N 0 0 428.601 7.277 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@H]12 ZINC000254397361 569316539 /nfs/dbraw/zinc/31/65/39/569316539.db2.gz FVWJYYTZTCVBKE-DSNXNGCTSA-N 0 0 442.728 6.997 50 30 IKEARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccnc1Nc1cccc(F)c1 ZINC000328590594 569316825 /nfs/dbraw/zinc/31/68/25/569316825.db2.gz FROYJRWEUZGPHL-UHFFFAOYSA-N 0 0 425.876 5.773 50 30 IKEARN O=C(NCCCSc1ccccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000328591584 569317077 /nfs/dbraw/zinc/31/70/77/569317077.db2.gz ZLJLEBJLGLYZCY-KRWDZBQOSA-N 0 0 438.380 5.132 50 30 IKEARN CC(C)[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000328592494 569317191 /nfs/dbraw/zinc/31/71/91/569317191.db2.gz YJLIOOYMVZHWAN-PKTZIBPZSA-N 0 0 448.494 5.078 50 30 IKEARN CC(=O)c1cnc(NC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000328593451 569317316 /nfs/dbraw/zinc/31/73/16/569317316.db2.gz UCQJIVLXVPWYCN-UHFFFAOYSA-N 0 0 443.569 5.172 50 30 IKEARN Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3S(=O)(=O)C(C)C)o2)cc1 ZINC000328595620 569317688 /nfs/dbraw/zinc/31/76/88/569317688.db2.gz ZIBNIAPCOQZAQL-UHFFFAOYSA-N 0 0 446.956 5.706 50 30 IKEARN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1cc(F)ccc1Br ZINC000328595052 569317722 /nfs/dbraw/zinc/31/77/22/569317722.db2.gz JOIGKRNGHVJULK-UHFFFAOYSA-N 0 0 440.212 5.482 50 30 IKEARN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000328596699 569318024 /nfs/dbraw/zinc/31/80/24/569318024.db2.gz QKPPTHHBOPUPFY-CYBMUJFWSA-N 0 0 426.423 5.151 50 30 IKEARN N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000019817751 569329986 /nfs/dbraw/zinc/32/99/86/569329986.db2.gz AYNMENWBYFWJAX-GSLIJJQTSA-N 0 0 437.449 5.375 50 30 IKEARN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000019820566 569330040 /nfs/dbraw/zinc/33/00/40/569330040.db2.gz WGOITVQOKPYANV-UHFFFAOYSA-N 0 0 434.996 5.850 50 30 IKEARN CSc1nc(NCc2ccc3c(c2)OCO3)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820387 569330082 /nfs/dbraw/zinc/33/00/82/569330082.db2.gz INHSVNKWIKSVFT-UHFFFAOYSA-N 0 0 432.549 5.375 50 30 IKEARN COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1 ZINC000019820328 569330108 /nfs/dbraw/zinc/33/01/08/569330108.db2.gz DHECCTJIWJXHRF-UHFFFAOYSA-N 0 0 434.565 5.795 50 30 IKEARN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020033984 569332556 /nfs/dbraw/zinc/33/25/56/569332556.db2.gz WRMSIYKMMAFMCP-RQZCQDPDSA-N 0 0 430.298 5.051 50 30 IKEARN Oc1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000020033368 569332567 /nfs/dbraw/zinc/33/25/67/569332567.db2.gz BRGJIRDEULZHNL-RVLHIEJWSA-N 0 0 444.578 7.020 50 30 IKEARN O=C1/C(=N\c2ccccc2F)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000020034401 569332663 /nfs/dbraw/zinc/33/26/63/569332663.db2.gz XANBXDZWZISNGF-WCTVFOPTSA-N 0 0 427.523 5.205 50 30 IKEARN O=C(OCc1ccccc1)c1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)cc1 ZINC000020058182 569332874 /nfs/dbraw/zinc/33/28/74/569332874.db2.gz JGZCTYDEHJOFBN-ULJHMMPZSA-N 0 0 449.462 5.648 50 30 IKEARN C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000020065608 569333172 /nfs/dbraw/zinc/33/31/72/569333172.db2.gz FYGNZWIUSAWRQA-SXOMAYOGSA-N 0 0 439.555 5.041 50 30 IKEARN CCC(C)(C)C1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1 ZINC000020115622 569335010 /nfs/dbraw/zinc/33/50/10/569335010.db2.gz JFSGZAUVNZMMQS-WXUKJITCSA-N 0 0 449.368 8.154 50 30 IKEARN CCC(C)(C)C1C/C(=C\c2ccc(SC)cc2)C(=O)/C(=C/c2ccc(SC)cc2)C1 ZINC000020115590 569335025 /nfs/dbraw/zinc/33/50/25/569335025.db2.gz AHKZZBPKTFFBFI-YHARCJFQSA-N 0 0 436.686 8.013 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)c1 ZINC000020132803 569335451 /nfs/dbraw/zinc/33/54/51/569335451.db2.gz UJJRRYWJSUUCRM-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)c1 ZINC000020132696 569335458 /nfs/dbraw/zinc/33/54/58/569335458.db2.gz SSJORECSOJUPQB-HMAPJEAMSA-N 0 0 438.936 5.135 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4Cl)nn3[C@H](c3cccs3)C12 ZINC000020134190 569335539 /nfs/dbraw/zinc/33/55/39/569335539.db2.gz LRGBAIZHJAXDMZ-GOSISDBHSA-N 0 0 446.960 5.446 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 ZINC000020134160 569335587 /nfs/dbraw/zinc/33/55/87/569335587.db2.gz PFWHAJLRLJTNSM-HSZRJFAPSA-N 0 0 430.577 5.518 50 30 IKEARN Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000020134770 569335675 /nfs/dbraw/zinc/33/56/75/569335675.db2.gz NCDROPGVNDBYAO-HXUWFJFHSA-N 0 0 428.492 5.494 50 30 IKEARN Cc1ccc([C@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134791 569335679 /nfs/dbraw/zinc/33/56/79/569335679.db2.gz HPAJNZJCAJFVDT-HXUWFJFHSA-N 0 0 428.492 5.494 50 30 IKEARN Cc1ccc([C@@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134794 569335704 /nfs/dbraw/zinc/33/57/04/569335704.db2.gz HPAJNZJCAJFVDT-FQEVSTJZSA-N 0 0 428.492 5.494 50 30 IKEARN O=C1C(=Cc2c[nH]nc2-c2ccc(F)cc2)CSC1=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000020151921 569336504 /nfs/dbraw/zinc/33/65/04/569336504.db2.gz JTEOEBVHCGDKMH-DOWYWXMCSA-N 0 0 446.482 5.485 50 30 IKEARN C=CCSC1=N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000020152066 569336541 /nfs/dbraw/zinc/33/65/41/569336541.db2.gz XLCMABIRQLBQIG-XMHGGMMESA-N 0 0 432.467 5.767 50 30 IKEARN CCn1cc(CN(C)CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1 ZINC000020215339 569356662 /nfs/dbraw/zinc/35/66/62/569356662.db2.gz RJXHFWUIUOYRMF-UHFFFAOYSA-N 0 0 438.384 5.362 50 30 IKEARN CC(C)(C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)c(-c4cccs4)c3c2N)cc1 ZINC000020358168 569361738 /nfs/dbraw/zinc/36/17/38/569361738.db2.gz KVHCRMQVQIEOPK-UHFFFAOYSA-N 0 0 447.589 5.611 50 30 IKEARN C=CCOc1cccc(-c2nc(C(=O)NCc3cccc(Oc4ccccc4)c3)cs2)c1 ZINC000096281620 569390023 /nfs/dbraw/zinc/39/00/23/569390023.db2.gz HGBPCZVQCCNTKH-UHFFFAOYSA-N 0 0 442.540 6.097 50 30 IKEARN N#CCCN(Cc1ccco1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000096315706 569392770 /nfs/dbraw/zinc/39/27/70/569392770.db2.gz AOOFRMRPQAWUIK-PFONDFGASA-N 0 0 436.515 5.147 50 30 IKEARN CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S/C1=N/c1ccccc1 ZINC000096610573 569402245 /nfs/dbraw/zinc/40/22/45/569402245.db2.gz PAJLDDXCQWORLE-UMUYUUQJSA-N 0 0 434.948 6.153 50 30 IKEARN O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)cc1 ZINC000096767045 569402392 /nfs/dbraw/zinc/40/23/92/569402392.db2.gz PPSZQGMYIBBZHA-TWGQIWQCSA-N 0 0 428.315 5.986 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(F)cc2)cc1OC ZINC000028052543 569406775 /nfs/dbraw/zinc/40/67/75/569406775.db2.gz IOCYXWBLZAIPPU-QMHKHESXSA-N 0 0 434.467 5.098 50 30 IKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000028052420 569406789 /nfs/dbraw/zinc/40/67/89/569406789.db2.gz YMVQRNONNZPEBD-OSPHWJPCSA-N 0 0 430.504 5.349 50 30 IKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000028052172 569406793 /nfs/dbraw/zinc/40/67/93/569406793.db2.gz PQEBVYHGFABDDH-MWTRTKDXSA-N 0 0 434.923 5.993 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1OC ZINC000028052515 569406795 /nfs/dbraw/zinc/40/67/95/569406795.db2.gz HUMNHWCCBPONDM-UUOWRZLLSA-N 0 0 430.504 5.267 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051612 569406817 /nfs/dbraw/zinc/40/68/17/569406817.db2.gz HYLJVUKIDKABHT-IERDGZPVSA-N 0 0 435.321 5.704 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(F)cc2)cc1OC ZINC000028052541 569406831 /nfs/dbraw/zinc/40/68/31/569406831.db2.gz IOCYXWBLZAIPPU-MWTRTKDXSA-N 0 0 434.467 5.098 50 30 IKEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000028052263 569406849 /nfs/dbraw/zinc/40/68/49/569406849.db2.gz LLRSHVCWDRHYSA-NYHFZMIOSA-N 0 0 436.895 5.309 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000028052178 569406863 /nfs/dbraw/zinc/40/68/63/569406863.db2.gz PQEBVYHGFABDDH-QMHKHESXSA-N 0 0 434.923 5.993 50 30 IKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccccc13)O2)CC(C)C ZINC000028182432 569408529 /nfs/dbraw/zinc/40/85/29/569408529.db2.gz FTSBTGHEAVTOLG-ROTLSHHCSA-N 0 0 432.564 5.614 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21 ZINC000028182794 569408746 /nfs/dbraw/zinc/40/87/46/569408746.db2.gz MMZUPYWJHZJXHG-DPKCJYKSSA-N 0 0 446.547 5.366 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4C)c3C)C1=O)cn2C ZINC000028182502 569408765 /nfs/dbraw/zinc/40/87/65/569408765.db2.gz WMBXXIHDPVZAQM-ZMFRSBBQSA-N 0 0 439.511 5.999 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 ZINC000028182576 569408783 /nfs/dbraw/zinc/40/87/83/569408783.db2.gz VYMNHCMOLIBZQP-MXAYSNPKSA-N 0 0 429.903 6.510 50 30 IKEARN COc1ccc([C@H]2NC(=S)N(c3ccccc3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1 ZINC000002616082 569410122 /nfs/dbraw/zinc/41/01/22/569410122.db2.gz CSDRUCPTCFAUKJ-HSZRJFAPSA-N 0 0 448.975 5.785 50 30 IKEARN COc1ccc([C@@H]2NC(=S)N(c3ccccc3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1 ZINC000002616081 569410153 /nfs/dbraw/zinc/41/01/53/569410153.db2.gz CSDRUCPTCFAUKJ-QHCPKHFHSA-N 0 0 448.975 5.785 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c1C ZINC000002619306 569410708 /nfs/dbraw/zinc/41/07/08/569410708.db2.gz YJOBZYXQTQNPNN-UHFFFAOYSA-N 0 0 443.576 5.217 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccccc2)o1 ZINC000002622776 569411334 /nfs/dbraw/zinc/41/13/34/569411334.db2.gz HJYGKBBEQTZTBB-UHFFFAOYSA-N 0 0 439.928 5.039 50 30 IKEARN COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1 ZINC000028541905 569411771 /nfs/dbraw/zinc/41/17/71/569411771.db2.gz HHMFHMTYWZRTRK-UUYOSTAYSA-N 0 0 433.529 5.076 50 30 IKEARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1 ZINC000215683215 569412024 /nfs/dbraw/zinc/41/20/24/569412024.db2.gz ZSIQWMODTAAERP-STQMWFEESA-N 0 0 439.528 5.297 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)c1 ZINC000002644113 569413985 /nfs/dbraw/zinc/41/39/85/569413985.db2.gz WFTMCHDSTKYUJS-UHFFFAOYSA-N 0 0 449.533 5.199 50 30 IKEARN N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000215734567 569414614 /nfs/dbraw/zinc/41/46/14/569414614.db2.gz SJNVXKQLQJVSNM-UHFFFAOYSA-N 0 0 447.413 5.389 50 30 IKEARN CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OCC)c1OCC ZINC000002739065 569419229 /nfs/dbraw/zinc/41/92/29/569419229.db2.gz MLGUVBBCZOZULH-UHFFFAOYSA-N 0 0 428.554 5.337 50 30 IKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C#N ZINC000002739927 569419242 /nfs/dbraw/zinc/41/92/42/569419242.db2.gz PZNZTARZOUXLMG-UHFFFAOYSA-N 0 0 443.912 5.363 50 30 IKEARN C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 ZINC000002745100 569419971 /nfs/dbraw/zinc/41/99/71/569419971.db2.gz ZEIPSOYTXCIMJG-HSZRJFAPSA-N 0 0 447.332 5.541 50 30 IKEARN C=CCOc1ccc(Br)c([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1 ZINC000002746629 569420076 /nfs/dbraw/zinc/42/00/76/569420076.db2.gz MLGUBIKPNRFAGR-HSZRJFAPSA-N 0 0 449.348 6.093 50 30 IKEARN CCOC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C ZINC000002757380 569420210 /nfs/dbraw/zinc/42/02/10/569420210.db2.gz SEFJWQUHBZJQRQ-UHFFFAOYSA-N 0 0 439.345 5.879 50 30 IKEARN Clc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 ZINC000002756829 569420361 /nfs/dbraw/zinc/42/03/61/569420361.db2.gz RCBUSTNKLMRFRJ-ZOMGDLOTSA-N 0 0 427.718 7.871 50 30 IKEARN Cc1c(C#N)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc1C(=O)N(C)C ZINC000002761685 569420562 /nfs/dbraw/zinc/42/05/62/569420562.db2.gz VSSCAJXDBVEWFM-HXUWFJFHSA-N 0 0 435.574 5.102 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccccc4)c3C#N)c3ccccc3n2)o1 ZINC000002773440 569420811 /nfs/dbraw/zinc/42/08/11/569420811.db2.gz YZLSZZQYYINNOT-UHFFFAOYSA-N 0 0 449.535 6.964 50 30 IKEARN C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002790826 569421499 /nfs/dbraw/zinc/42/14/99/569421499.db2.gz ZXFJQVARNFMMEO-STQMWFEESA-N 0 0 449.418 5.005 50 30 IKEARN C[C@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002790827 569421617 /nfs/dbraw/zinc/42/16/17/569421617.db2.gz ZXFJQVARNFMMEO-OLZOCXBDSA-N 0 0 449.418 5.005 50 30 IKEARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1COc1ccccc1 ZINC000002793407 569422055 /nfs/dbraw/zinc/42/20/55/569422055.db2.gz UUYYRRKVNBNWDD-WYMLVPIESA-N 0 0 444.556 5.738 50 30 IKEARN CCn1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)cn1 ZINC000002806839 569422291 /nfs/dbraw/zinc/42/22/91/569422291.db2.gz FBGHOXLBRYRLJO-HNNXBMFYSA-N 0 0 441.560 5.428 50 30 IKEARN N#Cc1ccccc1CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 ZINC000002843379 569423289 /nfs/dbraw/zinc/42/32/89/569423289.db2.gz TVZLMUZQBCYMND-UHFFFAOYSA-N 0 0 431.542 5.478 50 30 IKEARN COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(F)c1F ZINC000002879931 569423938 /nfs/dbraw/zinc/42/39/38/569423938.db2.gz LLOYOXZLGXCDFB-VIFPVBQESA-N 0 0 440.462 5.588 50 30 IKEARN N#Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000002886379 569424045 /nfs/dbraw/zinc/42/40/45/569424045.db2.gz ALNIIGVZLRQHRL-UHFFFAOYSA-N 0 0 448.857 5.418 50 30 IKEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1noc(-c2ccc(Cl)cc2)n1 ZINC000029279952 569429409 /nfs/dbraw/zinc/42/94/09/569429409.db2.gz QIWCHOXXWZVWST-UHFFFAOYSA-N 0 0 445.331 5.232 50 30 IKEARN N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000003029389 569436685 /nfs/dbraw/zinc/43/66/85/569436685.db2.gz ORDAIFYPOODSPJ-UHFFFAOYSA-N 0 0 435.339 6.535 50 30 IKEARN Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3ccc(C)c(C)c3)C2=O)c1 ZINC000003041804 569438464 /nfs/dbraw/zinc/43/84/64/569438464.db2.gz SIPJINQTTUWWSP-COOPMVRXSA-N 0 0 442.588 5.158 50 30 IKEARN Cc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000003041831 569438495 /nfs/dbraw/zinc/43/84/95/569438495.db2.gz KBYIGUXRQPRDHZ-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000003041870 569438549 /nfs/dbraw/zinc/43/85/49/569438549.db2.gz LMWYVPLPLZDIFH-QYQHSDTDSA-N 0 0 448.979 5.140 50 30 IKEARN N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1OC(=O)c1c(Cl)cccc1Cl ZINC000003051162 569439223 /nfs/dbraw/zinc/43/92/23/569439223.db2.gz QXNNHGQZJYKKCL-UHFFFAOYSA-N 0 0 438.097 6.453 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@@H]2c1ccc(Br)cc1 ZINC000003084295 569439950 /nfs/dbraw/zinc/43/99/50/569439950.db2.gz IUXBEHKJJCLTEE-HSZRJFAPSA-N 0 0 432.361 6.912 50 30 IKEARN Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1 ZINC000230187408 569439952 /nfs/dbraw/zinc/43/99/52/569439952.db2.gz YYJOHIQCSCXTOM-WYMJOSIYSA-N 0 0 444.538 5.291 50 30 IKEARN Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@H]3C2(C#N)C#N)c(C)c1 ZINC000230235331 569440376 /nfs/dbraw/zinc/44/03/76/569440376.db2.gz XMKOJNYQAUTPQU-JIMJEQGWSA-N 0 0 445.526 5.033 50 30 IKEARN Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000003112993 569440377 /nfs/dbraw/zinc/44/03/77/569440377.db2.gz KUPMWNABOZZGDZ-FSJBWODESA-N 0 0 436.265 6.225 50 30 IKEARN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@H]3C2(C#N)C#N)c(C)c1 ZINC000230235340 569440395 /nfs/dbraw/zinc/44/03/95/569440395.db2.gz XMKOJNYQAUTPQU-NXCFDTQHSA-N 0 0 445.526 5.033 50 30 IKEARN Fc1cccc(-c2nc3cc(/N=C/c4cccc(I)c4)ccc3o2)c1 ZINC000003113123 569440398 /nfs/dbraw/zinc/44/03/98/569440398.db2.gz QOCTUPNNVRSWAH-FSJBWODESA-N 0 0 442.231 5.989 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1)c1ccc(Br)cc1 ZINC000003116156 569440424 /nfs/dbraw/zinc/44/04/24/569440424.db2.gz CSYHHNSIDQNLKY-WYMPLXKRSA-N 0 0 432.676 6.211 50 30 IKEARN COc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000003133477 569440728 /nfs/dbraw/zinc/44/07/28/569440728.db2.gz KMGJEOONQRBYEI-RBRLEXCSSA-N 0 0 448.518 6.908 50 30 IKEARN Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2)c1Oc1cccc(C(F)(F)F)c1 ZINC000003134450 569440746 /nfs/dbraw/zinc/44/07/46/569440746.db2.gz GXAGIDGJXMURQH-UHFFFAOYSA-N 0 0 447.310 5.641 50 30 IKEARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000003171739 569441180 /nfs/dbraw/zinc/44/11/80/569441180.db2.gz CKFCGVWAOXBROO-AWEZNQCLSA-N 0 0 429.263 5.412 50 30 IKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 ZINC000003171633 569441222 /nfs/dbraw/zinc/44/12/22/569441222.db2.gz ISXHHSLHOQHZBA-ZRBLBEILSA-N 0 0 441.943 5.686 50 30 IKEARN CCCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000003201993 569441611 /nfs/dbraw/zinc/44/16/11/569441611.db2.gz QZUHYUOGSMZXBU-UHFFFAOYSA-N 0 0 446.510 6.961 50 30 IKEARN Cc1nc(S[C@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1 ZINC000003211729 569441757 /nfs/dbraw/zinc/44/17/57/569441757.db2.gz XCMYZNBHYABUBR-IBGZPJMESA-N 0 0 447.585 5.846 50 30 IKEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1cccc(C)c1 ZINC000003224223 569442068 /nfs/dbraw/zinc/44/20/68/569442068.db2.gz PNFMOPVTLRUKQK-UHFFFAOYSA-N 0 0 443.576 5.017 50 30 IKEARN O=C(c1ccccc1)C1=C2NC(=O)c3c(-c4ccccc4)csc3N2Cc2ccccc21 ZINC000003227534 569442209 /nfs/dbraw/zinc/44/22/09/569442209.db2.gz RLJFUHCLFDRGBQ-UHFFFAOYSA-N 0 0 434.520 5.730 50 30 IKEARN N#CCCN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000003235668 569442434 /nfs/dbraw/zinc/44/24/34/569442434.db2.gz KZRZQIMOAHHYKO-UHFFFAOYSA-N 0 0 441.512 5.067 50 30 IKEARN N#Cc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)cn2-c2ccccc2)cc1 ZINC000003241565 569442630 /nfs/dbraw/zinc/44/26/30/569442630.db2.gz GPNYHORTNGFAPA-UHFFFAOYSA-N 0 0 436.367 7.010 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003244957 569442700 /nfs/dbraw/zinc/44/27/00/569442700.db2.gz DSERIKSIZMCJCM-MHZLTWQESA-N 0 0 449.531 6.490 50 30 IKEARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000003250395 569442930 /nfs/dbraw/zinc/44/29/30/569442930.db2.gz OHTHBAXIZZKYRX-QGZVFWFLSA-N 0 0 430.529 5.456 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000003256466 569443067 /nfs/dbraw/zinc/44/30/67/569443067.db2.gz UHYKNEBXZYGBSZ-UHFFFAOYSA-N 0 0 436.467 5.019 50 30 IKEARN O=C(Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1-c1ccccc1)c1ccccc1 ZINC000003262764 569443293 /nfs/dbraw/zinc/44/32/93/569443293.db2.gz OXEFQYACCKRTBE-UHFFFAOYSA-N 0 0 441.346 6.895 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 ZINC000003283812 569444023 /nfs/dbraw/zinc/44/40/23/569444023.db2.gz CYAXPKGJAYAHEP-GOSISDBHSA-N 0 0 441.531 5.053 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 ZINC000003290855 569444401 /nfs/dbraw/zinc/44/44/01/569444401.db2.gz KDPQQYZPAZNJML-MRXNPFEDSA-N 0 0 447.560 5.114 50 30 IKEARN O=C(C1=C2SC=C(c3ccc(Br)cc3)N2CC1)c1ccc2c(c1)OCO2 ZINC000003293328 569444542 /nfs/dbraw/zinc/44/45/42/569444542.db2.gz WTKCXIHVQKFSHI-UHFFFAOYSA-N 0 0 428.307 5.023 50 30 IKEARN N#Cc1c(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c1CCCC2 ZINC000003294884 569444602 /nfs/dbraw/zinc/44/46/02/569444602.db2.gz QLVGPOZEHWAUQK-UHFFFAOYSA-N 0 0 443.739 5.254 50 30 IKEARN Cc1ccc(-c2oc(NC(=O)[C@@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000003307072 569445295 /nfs/dbraw/zinc/44/52/95/569445295.db2.gz IWECEVKYRJSXQW-HXUWFJFHSA-N 0 0 436.511 6.508 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccccc1F ZINC000003312033 569445558 /nfs/dbraw/zinc/44/55/58/569445558.db2.gz AGCPNEKKAKSWGC-UHFFFAOYSA-N 0 0 446.551 5.653 50 30 IKEARN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000003352029 569447429 /nfs/dbraw/zinc/44/74/29/569447429.db2.gz YQDZADRRJREEDU-UHFFFAOYSA-N 0 0 435.455 5.151 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000003374701 569448632 /nfs/dbraw/zinc/44/86/32/569448632.db2.gz HPGHIXTYWJLKFC-UHFFFAOYSA-N 0 0 434.561 5.444 50 30 IKEARN N#CC(CCOC(=O)c1c2ccccc2nc2c1CCCC2)(c1ccccc1)c1ccccc1 ZINC000003418093 569450308 /nfs/dbraw/zinc/45/03/08/569450308.db2.gz PHPCXAXIZLXWFX-UHFFFAOYSA-N 0 0 446.550 6.170 50 30 IKEARN N#Cc1ccc(CSc2nc(-c3cccs3)c(C(=O)C(F)(F)F)cc2C#N)cc1 ZINC000003418727 569450322 /nfs/dbraw/zinc/45/03/22/569450322.db2.gz SIUSNBWOSDPOHF-UHFFFAOYSA-N 0 0 429.448 5.591 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3cccs3)nc3ccccc31)CCC2 ZINC000003443526 569451267 /nfs/dbraw/zinc/45/12/67/569451267.db2.gz WBNYIMWLZXHSKJ-UHFFFAOYSA-N 0 0 448.598 5.511 50 30 IKEARN C=CCN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2c(s1)CCCC2 ZINC000003448061 569451474 /nfs/dbraw/zinc/45/14/74/569451474.db2.gz POZJZYBHNLWYBC-UHFFFAOYSA-N 0 0 441.560 5.102 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccnc5ccccc53)CC(=O)O4)C2=O)cc1 ZINC000217759475 569452779 /nfs/dbraw/zinc/45/27/79/569452779.db2.gz XHQWTGPOCVGBEE-ZJVWCJDDSA-N 0 0 449.462 5.301 50 30 biogenic IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1 ZINC000217799398 569453381 /nfs/dbraw/zinc/45/33/81/569453381.db2.gz OGVUEVZLBVSKDA-SOFYTKRASA-N 0 0 448.858 5.111 50 30 biogenic IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1 ZINC000217824119 569453773 /nfs/dbraw/zinc/45/37/73/569453773.db2.gz CZGGGGKWSISETH-SOFYTKRASA-N 0 0 434.394 5.031 50 30 biogenic IKEARN CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1cccc(Cl)c1 ZINC000003587303 569454496 /nfs/dbraw/zinc/45/44/96/569454496.db2.gz KVGWDXFWLBLGOY-MFKUBSTISA-N 0 0 425.001 5.635 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(F)c2)c1 ZINC000003608141 569454901 /nfs/dbraw/zinc/45/49/01/569454901.db2.gz OVVCROBAXPHENG-UHFFFAOYSA-N 0 0 444.915 5.113 50 30 IKEARN N#Cc1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)sc2c1CCCC2 ZINC000003668872 569455891 /nfs/dbraw/zinc/45/58/91/569455891.db2.gz YYTBKBBROLOWSE-UHFFFAOYSA-N 0 0 439.005 6.697 50 30 IKEARN N#Cc1c(Cl)nc(Nc2ccccc2SCCC(F)(F)F)c(Cl)c1Cl ZINC000003764162 569456396 /nfs/dbraw/zinc/45/63/96/569456396.db2.gz NQKPLYAVVIGBRF-UHFFFAOYSA-N 0 0 426.678 6.702 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000004018586 569458200 /nfs/dbraw/zinc/45/82/00/569458200.db2.gz HJYQHNZJOCPURW-AREMUKBSSA-N 0 0 441.531 6.124 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1 ZINC000004065379 569458600 /nfs/dbraw/zinc/45/86/00/569458600.db2.gz ONKPPTZEDGZSFY-QDJRPKQISA-N 0 0 435.618 6.302 50 30 IKEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000218606014 569458748 /nfs/dbraw/zinc/45/87/48/569458748.db2.gz NRYXEJASFVQXCP-FQEVSTJZSA-N 0 0 444.535 5.020 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccc(O)cc2)C1=O ZINC000004109138 569459114 /nfs/dbraw/zinc/45/91/14/569459114.db2.gz HWWXRDDOQICNPQ-ZMPCKTLKSA-N 0 0 431.542 5.571 50 30 IKEARN C=CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004136675 569460315 /nfs/dbraw/zinc/46/03/15/569460315.db2.gz TWADNKXCZHJPEX-GQUZIAHASA-N 0 0 439.588 5.438 50 30 IKEARN N#Cc1ccc(CSc2ncc(CO)n2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000004157989 569460533 /nfs/dbraw/zinc/46/05/33/569460533.db2.gz LYMHJWKXNLHOAI-UHFFFAOYSA-N 0 0 439.584 5.762 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2)cc1 ZINC000066437765 569462176 /nfs/dbraw/zinc/46/21/76/569462176.db2.gz VORWOTXLHLBCLV-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000066437702 569462192 /nfs/dbraw/zinc/46/21/92/569462192.db2.gz GLIVYRCSFGALSE-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN Cc1ccc(-c2csc3ncnc(N=NCc4cc(Br)ccc4O)c23)cc1 ZINC000008387050 569462728 /nfs/dbraw/zinc/46/27/28/569462728.db2.gz BIADEPGWLZNDBS-PGGKNCGUSA-N 0 0 439.338 5.581 50 30 IKEARN CCOC(=O)[C@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000008443103 569464639 /nfs/dbraw/zinc/46/46/39/569464639.db2.gz YDQCASKWHQRYQD-ZDUSSCGKSA-N 0 0 428.966 6.046 50 30 IKEARN COc1ccccc1NC(=Nc1nnc(C)s1)N1N=C(C)S[C@H]1c1ccc(C)cc1 ZINC000008448151 569464871 /nfs/dbraw/zinc/46/48/71/569464871.db2.gz TUYCFXVQUHBXOR-IBGZPJMESA-N 0 0 438.582 5.344 50 30 IKEARN CCCc1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 ZINC000008455842 569465148 /nfs/dbraw/zinc/46/51/48/569465148.db2.gz HCMGLAPIZHKWBI-UHFFFAOYSA-N 0 0 430.573 6.282 50 30 IKEARN O=C(C1=CN[C@@H](c2nc(-c3cccnc3)cs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000008694234 569470028 /nfs/dbraw/zinc/47/00/28/569470028.db2.gz ZUCDXCDTCAMUQB-DHIUTWEWSA-N 0 0 443.959 6.053 50 30 IKEARN N#Cc1ccc(CSc2ccccc2C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000008703931 569470189 /nfs/dbraw/zinc/47/01/89/569470189.db2.gz IYROZXKCEMUZOX-UHFFFAOYSA-N 0 0 425.557 5.625 50 30 IKEARN Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000008721436 569471711 /nfs/dbraw/zinc/47/17/11/569471711.db2.gz YWFHZQNERSRJIK-SANMLTNESA-N 0 0 433.515 5.543 50 30 IKEARN CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2[C@@H]1c1ccc(Cl)cc1 ZINC000008721076 569471716 /nfs/dbraw/zinc/47/17/16/569471716.db2.gz YNENGFDBOHXUCG-GOSISDBHSA-N 0 0 440.927 5.774 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744026 569473022 /nfs/dbraw/zinc/47/30/22/569473022.db2.gz LOTPWLREWPFQNY-OAQYLSRUSA-N 0 0 436.895 5.543 50 30 IKEARN Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@H](c5ccc(F)cc5)C4)cc3)sc2c1 ZINC000008756796 569474107 /nfs/dbraw/zinc/47/41/07/569474107.db2.gz NIASTRMTIFLBEB-LJQANCHMSA-N 0 0 428.532 6.853 50 30 IKEARN O=[N+]([O-])c1ccc(OCc2ccccc2Cl)c(C=NNc2ncnc3ccccc32)c1 ZINC000008763499 569474399 /nfs/dbraw/zinc/47/43/99/569474399.db2.gz XAGHWMBSMPFIGZ-RPPGKUMJSA-N 0 0 433.855 5.216 50 30 IKEARN C[C@H](NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000008763344 569474415 /nfs/dbraw/zinc/47/44/15/569474415.db2.gz ZTAJNUUCTRKCMJ-HVJIYZOHSA-N 0 0 429.545 5.090 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3Cl)c2C#N)cc1 ZINC000008763991 569474562 /nfs/dbraw/zinc/47/45/62/569474562.db2.gz FQXUBDLULASPSL-UHFFFAOYSA-N 0 0 442.971 7.242 50 30 IKEARN CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000008771144 569475194 /nfs/dbraw/zinc/47/51/94/569475194.db2.gz CWOVYILZBWGNOO-QFIPXVFZSA-N 0 0 442.563 5.039 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000008779095 569475494 /nfs/dbraw/zinc/47/54/94/569475494.db2.gz ABCRYPSTNJZXLR-PGMHBOJBSA-N 0 0 428.444 5.948 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1 ZINC000008779096 569475521 /nfs/dbraw/zinc/47/55/21/569475521.db2.gz JHLIWRAMKDOLTA-NKFKGCMQSA-N 0 0 427.500 6.439 50 30 IKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c(C)c1 ZINC000008781001 569475648 /nfs/dbraw/zinc/47/56/48/569475648.db2.gz GJQAKTFKLDGHOQ-RGVLZGJSSA-N 0 0 443.355 6.762 50 30 IKEARN N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1[S@@](=O)c1cccc(C(F)(F)F)c1 ZINC000008781512 569475660 /nfs/dbraw/zinc/47/56/60/569475660.db2.gz LFKYEUMNBVOIIG-SSEXGKCCSA-N 0 0 432.398 5.135 50 30 IKEARN CC(=O)[C@H](/C=N/OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008781453 569475662 /nfs/dbraw/zinc/47/56/62/569475662.db2.gz NPIVENQXQWFUMU-WQQCXNOLSA-N 0 0 448.133 5.647 50 30 IKEARN N#Cc1c(/C=C/c2ccc(O)cc2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 ZINC000008781856 569475690 /nfs/dbraw/zinc/47/56/90/569475690.db2.gz DAJTXOFHHKTGHJ-YRNVUSSQSA-N 0 0 444.446 5.436 50 30 IKEARN COc1cc(CN=NC(=S)Nc2ccccc2)ccc1OCc1ccccc1Cl ZINC000008788976 569475858 /nfs/dbraw/zinc/47/58/58/569475858.db2.gz SSZHIHKPCFFVDZ-OYKKKHCWSA-N 0 0 425.941 5.659 50 30 IKEARN C/C(=N\O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000008789863 569476009 /nfs/dbraw/zinc/47/60/09/569476009.db2.gz DSFGOUABGWEHRO-JRUDZWHXSA-N 0 0 449.591 5.772 50 30 biogenic IKEARN COc1cccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3OC)c2C#N)c1 ZINC000008809736 569476517 /nfs/dbraw/zinc/47/65/17/569476517.db2.gz AURHJGTXOOROPW-UHFFFAOYSA-N 0 0 438.552 6.597 50 30 IKEARN N#Cc1c(SC/C=C/c2ccccc2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000008809566 569476532 /nfs/dbraw/zinc/47/65/32/569476532.db2.gz RFQOJYVERUCWIM-XBXARRHUSA-N 0 0 445.012 7.808 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008809725 569476538 /nfs/dbraw/zinc/47/65/38/569476538.db2.gz KZPWBARPQOSHNM-SMIHKQSGSA-N 0 0 437.524 5.041 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccsc2)[C@H]1c1ccccc1 ZINC000008809681 569476549 /nfs/dbraw/zinc/47/65/49/569476549.db2.gz UBBBVGJLBBETIZ-ZLNRFVROSA-N 0 0 441.943 5.686 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000008818142 569476901 /nfs/dbraw/zinc/47/69/01/569476901.db2.gz MFMWGLPWFDZYFX-HXUWFJFHSA-N 0 0 430.460 5.218 50 30 IKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000008826419 569477582 /nfs/dbraw/zinc/47/75/82/569477582.db2.gz BMPMYCNETFWDCE-HSZRJFAPSA-N 0 0 436.475 5.630 50 30 IKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000008826424 569477585 /nfs/dbraw/zinc/47/75/85/569477585.db2.gz WUCMEJGUBJBTTA-QHCPKHFHSA-N 0 0 436.475 5.630 50 30 IKEARN COc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000008838160 569478249 /nfs/dbraw/zinc/47/82/49/569478249.db2.gz PSXOOMWRYCCWLC-CPNJWEJPSA-N 0 0 429.472 5.586 50 30 IKEARN CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2C=Nc2nc[nH]n2)cc1 ZINC000008842883 569478405 /nfs/dbraw/zinc/47/84/05/569478405.db2.gz QFWNIMNQASCRKV-LUILSVGHSA-N 0 0 443.345 5.289 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCCC(=O)Nc1nccs1 ZINC000008843594 569478493 /nfs/dbraw/zinc/47/84/93/569478493.db2.gz UGJPORNVQQLJSF-UHFFFAOYSA-N 0 0 448.495 5.607 50 30 IKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)cc1 ZINC000008844506 569478573 /nfs/dbraw/zinc/47/85/73/569478573.db2.gz NPFBRCUTPHTWIQ-UHFFFAOYSA-N 0 0 429.432 5.035 50 30 IKEARN O=C1N/C(=N/N=C/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Cl)cc1Cl ZINC000008854318 569479640 /nfs/dbraw/zinc/47/96/40/569479640.db2.gz FXLZAUNOGBCPEM-GQZFTILASA-N 0 0 445.158 5.894 50 30 IKEARN O=C(Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000008867482 569480292 /nfs/dbraw/zinc/48/02/92/569480292.db2.gz GOLFEMRQFDLCAE-AFUMVMLFSA-N 0 0 432.480 5.353 50 30 IKEARN O=C(Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000008869462 569480452 /nfs/dbraw/zinc/48/04/52/569480452.db2.gz QCQHVTRWMGDZHH-SJARNATQSA-N 0 0 448.935 6.420 50 30 IKEARN CCN(CC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1 ZINC000008872684 569481014 /nfs/dbraw/zinc/48/10/14/569481014.db2.gz RWQHBSPPYNPHIL-YDZHTSKRSA-N 0 0 430.343 5.214 50 30 IKEARN N#Cc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000008881953 569482931 /nfs/dbraw/zinc/48/29/31/569482931.db2.gz FPWMRBURXTUZJF-NRFANRHFSA-N 0 0 429.907 5.020 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)c1C ZINC000008886303 569483230 /nfs/dbraw/zinc/48/32/30/569483230.db2.gz NWCLVJQCBKLLNE-VGOFRKELSA-N 0 0 449.624 5.671 50 30 IKEARN CCCOc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000008892465 569483438 /nfs/dbraw/zinc/48/34/38/569483438.db2.gz QRFJIXQSKWMRLJ-LYZGTLIUSA-N 0 0 449.550 7.180 50 30 IKEARN CCCOc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000008892252 569483463 /nfs/dbraw/zinc/48/34/63/569483463.db2.gz QRFJIXQSKWMRLJ-RBTNQOKQSA-N 0 0 449.550 7.180 50 30 IKEARN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000040049309 569483874 /nfs/dbraw/zinc/48/38/74/569483874.db2.gz YFHUGTGNTPUARE-IAGOWNOFSA-N 0 0 444.560 5.034 50 30 IKEARN C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000008898423 569483957 /nfs/dbraw/zinc/48/39/57/569483957.db2.gz UCJUQURNBJFVOV-CQSZACIVSA-N 0 0 442.635 5.690 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000008915601 569485561 /nfs/dbraw/zinc/48/55/61/569485561.db2.gz SHQPBAVHNOIMNH-NKFKGCMQSA-N 0 0 427.500 6.439 50 30 IKEARN CC(C)Oc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000008915579 569485589 /nfs/dbraw/zinc/48/55/89/569485589.db2.gz LOUFPBQVJNQDLB-RCCKNPSSSA-N 0 0 428.444 5.947 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c(OC)c1OC ZINC000008917878 569486172 /nfs/dbraw/zinc/48/61/72/569486172.db2.gz BKSNWGNCCZWSPH-QRVIBDJDSA-N 0 0 432.472 5.216 50 30 biogenic IKEARN C=CCNC(=S)N=NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 ZINC000008921309 569486786 /nfs/dbraw/zinc/48/67/86/569486786.db2.gz OIKXVEVBHLOFPW-MSXFZWOLSA-N 0 0 438.380 5.366 50 30 IKEARN CCCC(=O)C1=C(Nc2ccc(N=Nc3ccccc3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000008926410 569487288 /nfs/dbraw/zinc/48/72/88/569487288.db2.gz PZYULESMBJJFGN-XHWLHZJSSA-N 0 0 447.535 5.925 50 30 IKEARN Clc1ccc(CN=Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c(Cl)c1 ZINC000008926460 569487298 /nfs/dbraw/zinc/48/72/98/569487298.db2.gz MQQOXEFHDGIRMT-ZMFRSBBQSA-N 0 0 447.329 5.781 50 30 IKEARN CCOC(=O)c1c(C)nc2c(c1-c1ccc(Br)cc1)/C(=N/O)CC(C)(C)C2 ZINC000008934222 569487886 /nfs/dbraw/zinc/48/78/86/569487886.db2.gz RMIGBNQSIOKYCX-LFVJCYFKSA-N 0 0 431.330 5.147 50 30 IKEARN N#Cc1c(SCC(=O)c2cccs2)nc(-c2ccc(F)cc2)cc1-c1ccccc1 ZINC000008934259 569487929 /nfs/dbraw/zinc/48/79/29/569487929.db2.gz ZPZKURSJUAVNLY-UHFFFAOYSA-N 0 0 430.529 6.463 50 30 IKEARN COc1ccc(/C=C/C(=O)c2cccs2)cc1Cn1nc(C)c(Br)c1C ZINC000008951304 569489898 /nfs/dbraw/zinc/48/98/98/569489898.db2.gz RSVSSLWPCYJYAK-SOFGYWHQSA-N 0 0 431.355 5.277 50 30 IKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1nc(-c2ccccc2)cc1-c1ccccc1 ZINC000008952393 569490027 /nfs/dbraw/zinc/49/00/27/569490027.db2.gz ZILPEANVOJDMRV-UHFFFAOYSA-N 0 0 436.330 6.782 50 30 IKEARN N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(-c2ccccc2)n1 ZINC000008965908 569491617 /nfs/dbraw/zinc/49/16/17/569491617.db2.gz QUBSQSUURKXMLG-SANMLTNESA-N 0 0 433.515 5.230 50 30 IKEARN Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 ZINC000008966205 569491694 /nfs/dbraw/zinc/49/16/94/569491694.db2.gz YQRVXKVREOLRIN-QGZVFWFLSA-N 0 0 438.603 5.163 50 30 IKEARN C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1 ZINC000008966345 569491759 /nfs/dbraw/zinc/49/17/59/569491759.db2.gz KACGBNFAWPVYOF-LBPRGKRZSA-N 0 0 429.958 5.749 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cccc(Cl)c4)ccc3C1=O)cn2C ZINC000008990578 569495000 /nfs/dbraw/zinc/49/50/00/569495000.db2.gz XQEXOSRIRMDEBW-OPEKNORGSA-N 0 0 445.902 6.036 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)c4ccccc4)c3C)C1=O)cn2C ZINC000008991772 569495289 /nfs/dbraw/zinc/49/52/89/569495289.db2.gz CCOKIEVNBZUBDJ-ZMOGYAJESA-N 0 0 439.467 5.331 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1OC ZINC000008993438 569495400 /nfs/dbraw/zinc/49/54/00/569495400.db2.gz HFGZHXCGDUXQMR-UHFFFAOYSA-N 0 0 448.441 6.088 50 30 IKEARN Cc1ccc2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2c1C ZINC000008993035 569495453 /nfs/dbraw/zinc/49/54/53/569495453.db2.gz BMQHXQPBMYGXPH-UHFFFAOYSA-N 0 0 444.478 5.866 50 30 IKEARN CCOC(=O)/C(=N\Nc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000009008946 569496342 /nfs/dbraw/zinc/49/63/42/569496342.db2.gz PIRUPNNSVZWTTA-HPNDGRJYSA-N 0 0 443.532 5.015 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009014520 569496703 /nfs/dbraw/zinc/49/67/03/569496703.db2.gz PRLQUNVZZGGPIB-KROBSHITSA-N 0 0 440.455 5.086 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 ZINC000009020045 569496947 /nfs/dbraw/zinc/49/69/47/569496947.db2.gz CAIOWLYTAFINAI-QHCPKHFHSA-N 0 0 447.462 5.016 50 30 IKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000009034230 569497280 /nfs/dbraw/zinc/49/72/80/569497280.db2.gz ZMSRPNHJHAIKNC-BRJLIKDPSA-N 0 0 427.722 6.703 50 30 IKEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2s1 ZINC000009065266 569499678 /nfs/dbraw/zinc/49/96/78/569499678.db2.gz PWZIBQSESXXLPX-WUXMJOGZSA-N 0 0 433.554 6.199 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)sc2C1 ZINC000009066824 569499938 /nfs/dbraw/zinc/49/99/38/569499938.db2.gz MANPOKGAQFMFDX-VIFPVBQESA-N 0 0 431.926 5.773 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)sc2C1 ZINC000009066819 569499948 /nfs/dbraw/zinc/49/99/48/569499948.db2.gz MANPOKGAQFMFDX-SECBINFHSA-N 0 0 431.926 5.773 50 30 IKEARN CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccccc2)S1 ZINC000009076529 569500315 /nfs/dbraw/zinc/50/03/15/569500315.db2.gz FUJXZSHIILDOHY-VWLOTQADSA-N 0 0 443.597 6.287 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1cn2ccccc2n1 ZINC000009090772 569501107 /nfs/dbraw/zinc/50/11/07/569501107.db2.gz HWZZENDUTNWDBF-UHFFFAOYSA-N 0 0 430.558 5.251 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1O ZINC000009096075 569501395 /nfs/dbraw/zinc/50/13/95/569501395.db2.gz XIXVULHATPSHKV-LBPRGKRZSA-N 0 0 449.363 5.263 50 30 IKEARN N#Cc1oc2ccccc2c1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000009126353 569504913 /nfs/dbraw/zinc/50/49/13/569504913.db2.gz YAINEHSEODASTG-UHFFFAOYSA-N 0 0 428.517 5.100 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000009126762 569505018 /nfs/dbraw/zinc/50/50/18/569505018.db2.gz WHPSBRYCLHCWOX-UHFFFAOYSA-N 0 0 447.745 5.095 50 30 IKEARN N#CCCN(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000009127443 569505179 /nfs/dbraw/zinc/50/51/79/569505179.db2.gz FQIWTQNXODKOCA-UHFFFAOYSA-N 0 0 430.558 5.397 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000245380228 569505402 /nfs/dbraw/zinc/50/54/02/569505402.db2.gz UOCUEIOMIAYZNI-VKDHOMMPSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN CN(C)c1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 ZINC000009129366 569505734 /nfs/dbraw/zinc/50/57/34/569505734.db2.gz QXJIZEDAZFEIDY-NRFANRHFSA-N 0 0 442.559 5.121 50 30 biogenic IKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@@](=O)Cc1ccc(Cl)cc1 ZINC000009130777 569506095 /nfs/dbraw/zinc/50/60/95/569506095.db2.gz LKSDEUWISFYTBY-GDLZYMKVSA-N 0 0 434.973 6.310 50 30 IKEARN COc1ccc(OC)c(/C=C/C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)c1 ZINC000009138012 569507146 /nfs/dbraw/zinc/50/71/46/569507146.db2.gz NPPBTXBNPQRUIG-JLHYYAGUSA-N 0 0 425.484 5.417 50 30 IKEARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009152921 569507915 /nfs/dbraw/zinc/50/79/15/569507915.db2.gz IWUJMPKWRQTWMZ-OAQYLSRUSA-N 0 0 429.520 5.295 50 30 IKEARN COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009152913 569507938 /nfs/dbraw/zinc/50/79/38/569507938.db2.gz WJTMMYBVMOFQPO-OAQYLSRUSA-N 0 0 429.520 5.295 50 30 IKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000009164653 569508802 /nfs/dbraw/zinc/50/88/02/569508802.db2.gz RSRDBWHPENNCIP-RUZDIDTESA-N 0 0 446.547 5.257 50 30 IKEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000009190080 569510556 /nfs/dbraw/zinc/51/05/56/569510556.db2.gz KTIYBSIAOFEMTO-UHFFFAOYSA-N 0 0 440.528 6.148 50 30 IKEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)c(C)c2)CC1=O ZINC000009191676 569510648 /nfs/dbraw/zinc/51/06/48/569510648.db2.gz XHFWNDUQKMPAKG-LJQANCHMSA-N 0 0 437.971 5.359 50 30 IKEARN O=C1c2ccc(OCc3c(F)cccc3Cl)cc2O/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000009210357 569511599 /nfs/dbraw/zinc/51/15/99/569511599.db2.gz RLPYNORBJGAMLM-FBHDLOMBSA-N 0 0 425.799 5.583 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1cccs1 ZINC000009210057 569511630 /nfs/dbraw/zinc/51/16/30/569511630.db2.gz XRFOLUPJUCVGEX-YVLHZVERSA-N 0 0 427.275 5.346 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000009215744 569512041 /nfs/dbraw/zinc/51/20/41/569512041.db2.gz SIXRAWDDQDJTPY-XTEPFMGCSA-N 0 0 438.527 6.059 50 30 IKEARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000009224019 569513073 /nfs/dbraw/zinc/51/30/73/569513073.db2.gz AEIRAFWOWIMNBA-LBPRGKRZSA-N 0 0 438.578 5.289 50 30 IKEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c2[C@@H]1c1ccco1 ZINC000009253353 569516177 /nfs/dbraw/zinc/51/61/77/569516177.db2.gz IIRCAJHZFIRMFP-QGZVFWFLSA-N 0 0 441.274 5.078 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1 ZINC000009271235 569517739 /nfs/dbraw/zinc/51/77/39/569517739.db2.gz IUOMLGBWBNUDHI-QFIPXVFZSA-N 0 0 440.524 5.696 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccs2)cc1 ZINC000009271189 569517756 /nfs/dbraw/zinc/51/77/56/569517756.db2.gz FUJHIFBXSHDIEA-GOSISDBHSA-N 0 0 440.546 5.003 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1 ZINC000009271188 569517773 /nfs/dbraw/zinc/51/77/73/569517773.db2.gz FUJHIFBXSHDIEA-SFHVURJKSA-N 0 0 440.546 5.003 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009271601 569517819 /nfs/dbraw/zinc/51/78/19/569517819.db2.gz UIMJMNCRBOQYJC-GOSISDBHSA-N 0 0 440.546 5.003 50 30 IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000009272081 569517849 /nfs/dbraw/zinc/51/78/49/569517849.db2.gz ZHQYSJCZMJRFFK-SIBVEZHUSA-N 0 0 440.568 6.059 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000009272181 569517915 /nfs/dbraw/zinc/51/79/15/569517915.db2.gz WJIGZNABDHCGEH-JOCHJYFZSA-N 0 0 433.891 5.522 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000009272252 569517943 /nfs/dbraw/zinc/51/79/43/569517943.db2.gz QKQMMWKKUAROFK-DSNGMDLFSA-N 0 0 435.914 5.624 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1OC ZINC000009281437 569518601 /nfs/dbraw/zinc/51/86/01/569518601.db2.gz HBDJKSMKQDVIJF-JJFYIABZSA-N 0 0 436.847 5.193 50 30 IKEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000009281444 569518631 /nfs/dbraw/zinc/51/86/31/569518631.db2.gz OEZQUKJEMCRQHK-FBHDLOMBSA-N 0 0 441.266 5.837 50 30 IKEARN COc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)cc1Cl ZINC000009284608 569519053 /nfs/dbraw/zinc/51/90/53/569519053.db2.gz UZQCREGRPZOGNG-UHFFFAOYSA-N 0 0 436.924 5.060 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cn(C(C)C)c2ccccc12 ZINC000009290595 569519770 /nfs/dbraw/zinc/51/97/70/569519770.db2.gz QCYRSFVEPLGPDJ-WKULSOCRSA-N 0 0 434.547 6.212 50 30 IKEARN O=C1C=CC(=NNc2ccc(Cl)cc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000009296719 569520526 /nfs/dbraw/zinc/52/05/26/569520526.db2.gz OMUUILJZYRYNHW-JCOWHHPYSA-N 0 0 442.331 7.170 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc(-c2cccs2)cc1C(F)(F)F ZINC000009306619 569521334 /nfs/dbraw/zinc/52/13/34/569521334.db2.gz GKLSAKOFKGUXHN-UHFFFAOYSA-N 0 0 445.318 7.300 50 30 IKEARN Cc1nn(Cc2ccccc2)c(C)c1CN=Nc1ncnc2scc(-c3ccccc3)c21 ZINC000009345768 569524127 /nfs/dbraw/zinc/52/41/27/569524127.db2.gz RQLSIHPOOCHSIE-XODNFHPESA-N 0 0 438.560 5.666 50 30 IKEARN CN(/N=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 ZINC000009347656 569524357 /nfs/dbraw/zinc/52/43/57/569524357.db2.gz XUAWUCOMIRHWER-MFKUBSTISA-N 0 0 436.005 7.085 50 30 IKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000009349399 569524728 /nfs/dbraw/zinc/52/47/28/569524728.db2.gz QJGOFWLMWVJTPL-UHFFFAOYSA-N 0 0 445.013 5.167 50 30 IKEARN N#C[C@H](Cc1ccccc1)Sc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000009353473 569524970 /nfs/dbraw/zinc/52/49/70/569524970.db2.gz SWDPUKFADHXPSR-FQEVSTJZSA-N 0 0 430.508 5.212 50 30 IKEARN CC(C)Oc1ccc(-c2nc3ccccc3c(N=NCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000009356833 569525563 /nfs/dbraw/zinc/52/55/63/569525563.db2.gz MAFQAJZHUSHLMX-MFKUBSTISA-N 0 0 427.464 5.438 50 30 IKEARN CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@]2(C(C)(C)C)C1=O ZINC000009357872 569525625 /nfs/dbraw/zinc/52/56/25/569525625.db2.gz AVACOHUQWPOENZ-PQDPFJETSA-N 0 0 440.591 6.302 50 30 IKEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009362759 569525863 /nfs/dbraw/zinc/52/58/63/569525863.db2.gz KIUQVNXXFIFBTF-QFIPXVFZSA-N 0 0 433.891 5.440 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009363616 569525955 /nfs/dbraw/zinc/52/59/55/569525955.db2.gz YWRNAGSEERWSRA-QFIPXVFZSA-N 0 0 449.934 6.009 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009370734 569526856 /nfs/dbraw/zinc/52/68/56/569526856.db2.gz XXNYPZYFQKYNGI-GQAFRRMJSA-N 0 0 440.455 5.086 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009374700 569527168 /nfs/dbraw/zinc/52/71/68/569527168.db2.gz UEUMNXDYKVRGFQ-QHCPKHFHSA-N 0 0 431.919 5.469 50 30 IKEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009379648 569527704 /nfs/dbraw/zinc/52/77/04/569527704.db2.gz NRXWTULIFTWMEG-LPKHAAKTSA-N 0 0 431.561 5.483 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000009379961 569527809 /nfs/dbraw/zinc/52/78/09/569527809.db2.gz JANGBGBWWOSSEW-LJQANCHMSA-N 0 0 428.271 5.365 50 30 IKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000009380303 569527880 /nfs/dbraw/zinc/52/78/80/569527880.db2.gz YKUIWDOCWKLGNG-NGOKVRLYSA-N 0 0 440.562 7.103 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009380265 569527903 /nfs/dbraw/zinc/52/79/03/569527903.db2.gz QRNLQRUOYZBTQK-NRFANRHFSA-N 0 0 448.862 5.340 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009380607 569527988 /nfs/dbraw/zinc/52/79/88/569527988.db2.gz QRNLQRUOYZBTQK-OAQYLSRUSA-N 0 0 448.862 5.340 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccc(F)c(F)c2F)nc2c(c1-c1ccco1)CCCC2 ZINC000009402859 569529449 /nfs/dbraw/zinc/52/94/49/569529449.db2.gz RIGQKJOCLOPQHC-UHFFFAOYSA-N 0 0 443.450 5.240 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c2ccccc21 ZINC000009421038 569532711 /nfs/dbraw/zinc/53/27/11/569532711.db2.gz IEACCSJHDIMJHM-AFUMVMLFSA-N 0 0 439.467 5.505 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 ZINC000009422319 569532822 /nfs/dbraw/zinc/53/28/22/569532822.db2.gz MOTQDPBRQOQDMG-DHRITJCHSA-N 0 0 429.903 6.510 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c2ccccc21 ZINC000009422320 569532827 /nfs/dbraw/zinc/53/28/27/569532827.db2.gz JTYFRPCPTDKOQO-AFUMVMLFSA-N 0 0 443.930 6.818 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4cccs4)c3C)C2=O)c2ccccc21 ZINC000009421984 569532853 /nfs/dbraw/zinc/53/28/53/569532853.db2.gz XEGLHOMLADYVKA-FYJGNVAPSA-N 0 0 429.497 5.867 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC/C=C/c4ccccc4)ccc3C1=O)cn2C ZINC000009422279 569532860 /nfs/dbraw/zinc/53/28/60/569532860.db2.gz OENFZVOFWPXJOD-FBLKOXEQSA-N 0 0 437.495 5.895 50 30 IKEARN Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 ZINC000009422407 569532865 /nfs/dbraw/zinc/53/28/65/569532865.db2.gz IFOHJDWFDSSZBI-FSJBWODESA-N 0 0 429.859 5.667 50 30 IKEARN Cc1c2c(ccc1OCc1ccccc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009422461 569532872 /nfs/dbraw/zinc/53/28/72/569532872.db2.gz HXVWUDLZLWNPCN-ZMOGYAJESA-N 0 0 429.903 6.335 50 30 IKEARN Cc1c2c(ccc1OC(=O)c1ccccc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009422569 569532876 /nfs/dbraw/zinc/53/28/76/569532876.db2.gz AADFMXWZGNGALF-YDZHTSKRSA-N 0 0 443.886 5.976 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccc(C)cc4)c3C)C1=O)cn2C ZINC000009423003 569532915 /nfs/dbraw/zinc/53/29/15/569532915.db2.gz NSJVESBVBFHOAR-LGJNPRDNSA-N 0 0 439.511 5.999 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4C)c3C)C1=O)cn2C ZINC000009423720 569532977 /nfs/dbraw/zinc/53/29/77/569532977.db2.gz WMBXXIHDPVZAQM-LGJNPRDNSA-N 0 0 439.511 5.999 50 30 IKEARN COc1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccc(OC)cc24)C3=O)cc1 ZINC000009423823 569532982 /nfs/dbraw/zinc/53/29/82/569532982.db2.gz HWNUBSAILPTMGP-RPPGKUMJSA-N 0 0 441.483 5.391 50 30 IKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)N2CCc3ccccc32)n1 ZINC000009423913 569533023 /nfs/dbraw/zinc/53/30/23/569533023.db2.gz SNSLLXJSLVWSBE-UHFFFAOYSA-N 0 0 447.526 5.731 50 30 IKEARN COc1cc(CN=Nc2nc(C)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009426944 569533313 /nfs/dbraw/zinc/53/33/13/569533313.db2.gz AZZZFGLKNPZTDL-LSFURLLWSA-N 0 0 436.320 5.432 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009428050 569533504 /nfs/dbraw/zinc/53/35/04/569533504.db2.gz BZGYMWPZTVCURX-LJQANCHMSA-N 0 0 428.271 5.365 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000009433264 569534556 /nfs/dbraw/zinc/53/45/56/569534556.db2.gz ZPNSYCMRUOZQQI-PKTZIBPZSA-N 0 0 429.545 5.195 50 30 IKEARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1OC ZINC000009433999 569534708 /nfs/dbraw/zinc/53/47/08/569534708.db2.gz SMDOXOQBDZXXEU-VWLOTQADSA-N 0 0 431.513 5.579 50 30 IKEARN COc1cccc(OCCCOc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)c1 ZINC000009434883 569534758 /nfs/dbraw/zinc/53/47/58/569534758.db2.gz KSIONBJPBMFFLC-KOEQRZSOSA-N 0 0 433.533 5.599 50 30 IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O ZINC000009450562 569536279 /nfs/dbraw/zinc/53/62/79/569536279.db2.gz AELSKUVTZRNISM-PSHHWHLWSA-N 0 0 428.415 5.368 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000009460973 569537016 /nfs/dbraw/zinc/53/70/16/569537016.db2.gz RFFXIAHPHFYOJG-QFIPXVFZSA-N 0 0 430.504 5.372 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009461026 569537038 /nfs/dbraw/zinc/53/70/38/569537038.db2.gz FXHGIRNXNZEHNV-NRFANRHFSA-N 0 0 444.512 5.796 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000009462908 569537395 /nfs/dbraw/zinc/53/73/95/569537395.db2.gz GRPULRAITOAXSH-NRFANRHFSA-N 0 0 448.862 5.340 50 30 IKEARN CCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009465477 569537950 /nfs/dbraw/zinc/53/79/50/569537950.db2.gz ZKHOKWUADQIYFE-MHZLTWQESA-N 0 0 448.607 6.713 50 30 IKEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O ZINC000009476703 569539113 /nfs/dbraw/zinc/53/91/13/569539113.db2.gz UAFIWGJHPLSYQU-RMORIDSASA-N 0 0 434.875 5.710 50 30 IKEARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1 ZINC000009507756 569542112 /nfs/dbraw/zinc/54/21/12/569542112.db2.gz GWOGBUVWIUWAIY-UHFFFAOYSA-N 0 0 447.564 5.061 50 30 IKEARN N#Cc1ccccc1OCC(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000009509621 569542627 /nfs/dbraw/zinc/54/26/27/569542627.db2.gz GXWHJKQPLONJKM-UHFFFAOYSA-N 0 0 429.476 5.565 50 30 IKEARN CC(C)Cc1c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc(-c2ccccc2)c1C#N ZINC000009554178 569546780 /nfs/dbraw/zinc/54/67/80/569546780.db2.gz MSIAWMSYEKWZJI-UHFFFAOYSA-N 0 0 445.975 6.500 50 30 IKEARN Cc1ccc(NC2=NC(=S)N(N(C)c3ccccc3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000009554029 569546784 /nfs/dbraw/zinc/54/67/84/569546784.db2.gz OWRKPKPZGNGHLY-UHFFFAOYSA-N 0 0 434.653 6.242 50 30 IKEARN C=CCn1c2ccccc2n2c1nc(-c1ccc(Cl)cc1)c2C(=S)Nc1ccccc1 ZINC000009554104 569546787 /nfs/dbraw/zinc/54/67/87/569546787.db2.gz BWYSGPBOSPPESR-UHFFFAOYSA-N 0 0 442.975 6.583 50 30 IKEARN C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000009583852 569549346 /nfs/dbraw/zinc/54/93/46/569549346.db2.gz BNOJJRVSBBMYQX-CQSZACIVSA-N 0 0 428.579 5.169 50 30 IKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)c1ccc[nH]1 ZINC000009583757 569549356 /nfs/dbraw/zinc/54/93/56/569549356.db2.gz RQVMCKBECMXPHM-UHFFFAOYSA-N 0 0 430.533 5.013 50 30 IKEARN C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2sc(C)c(C)c2c1=O ZINC000009585839 569549551 /nfs/dbraw/zinc/54/95/51/569549551.db2.gz PZSXOWOQURUUFS-UHFFFAOYSA-N 0 0 444.969 5.257 50 30 IKEARN COc1ccc(Cl)cc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000009588033 569549815 /nfs/dbraw/zinc/54/98/15/569549815.db2.gz ZBVKHAFBHDAPNL-UHFFFAOYSA-N 0 0 436.924 5.060 50 30 IKEARN N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000009587984 569549847 /nfs/dbraw/zinc/54/98/47/569549847.db2.gz AGENGHALSWCYOG-UHFFFAOYSA-N 0 0 441.557 5.253 50 30 IKEARN COc1ccc([C@H]2N(c3cccc(Br)c3)OC(=O)N2c2ccccc2)cc1 ZINC000009593522 569550469 /nfs/dbraw/zinc/55/04/69/569550469.db2.gz BBNMSOYZZDBMLU-HXUWFJFHSA-N 0 0 425.282 5.535 50 30 IKEARN CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597322 569550867 /nfs/dbraw/zinc/55/08/67/569550867.db2.gz HQBKRZPRWVGCDG-OAQYLSRUSA-N 0 0 431.967 6.493 50 30 IKEARN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597381 569550965 /nfs/dbraw/zinc/55/09/65/569550965.db2.gz YVUYQXCLOWMDBF-FQEVSTJZSA-N 0 0 433.939 5.939 50 30 IKEARN CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009602022 569551651 /nfs/dbraw/zinc/55/16/51/569551651.db2.gz IOCCMMVEIYNIQY-JOCHJYFZSA-N 0 0 447.970 5.323 50 30 IKEARN CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009602021 569551689 /nfs/dbraw/zinc/55/16/89/569551689.db2.gz IOCCMMVEIYNIQY-QFIPXVFZSA-N 0 0 447.970 5.323 50 30 IKEARN CCCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608863 569552237 /nfs/dbraw/zinc/55/22/37/569552237.db2.gz SFNQSRDYNIYEOC-IBGZPJMESA-N 0 0 437.609 5.561 50 30 IKEARN CCCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608867 569552257 /nfs/dbraw/zinc/55/22/57/569552257.db2.gz SFNQSRDYNIYEOC-LJQANCHMSA-N 0 0 437.609 5.561 50 30 IKEARN Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccco2)C1=O ZINC000009614543 569553116 /nfs/dbraw/zinc/55/31/16/569553116.db2.gz BQKIQGPTTKVGSV-QSRYBZNWSA-N 0 0 429.516 5.118 50 30 IKEARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1 ZINC000009631718 569553808 /nfs/dbraw/zinc/55/38/08/569553808.db2.gz YNVCQAOINJBBIL-UHFFFAOYSA-N 0 0 447.564 5.061 50 30 IKEARN Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 ZINC000009632939 569554145 /nfs/dbraw/zinc/55/41/45/569554145.db2.gz LMXSYDDNSBAMPW-UHFFFAOYSA-N 0 0 430.529 5.430 50 30 IKEARN C[C@@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009635400 569554687 /nfs/dbraw/zinc/55/46/87/569554687.db2.gz FFZKFMIQVLCTMD-JTQLQIEISA-N 0 0 443.281 6.264 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl ZINC000009678672 569559683 /nfs/dbraw/zinc/55/96/83/569559683.db2.gz NAUAFWKKQMTFAE-HSZRJFAPSA-N 0 0 429.347 6.300 50 30 IKEARN CCCn1c2ccccc2nc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000009679858 569559883 /nfs/dbraw/zinc/55/98/83/569559883.db2.gz DUMHKXNXSGAPIM-KOEQRZSOSA-N 0 0 432.549 5.306 50 30 IKEARN C=CCn1c(SCCOc2c(Cl)cccc2Cl)nnc1-c1ccccc1OC ZINC000009711733 569562047 /nfs/dbraw/zinc/56/20/47/569562047.db2.gz JSVOHHVCVWAZFT-UHFFFAOYSA-N 0 0 436.364 5.618 50 30 IKEARN Fc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccccc1 ZINC000009720418 569563270 /nfs/dbraw/zinc/56/32/70/569563270.db2.gz SCTWQVPNWBPYEK-JVWAILMASA-N 0 0 429.520 5.878 50 30 IKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000009731348 569564559 /nfs/dbraw/zinc/56/45/59/569564559.db2.gz PCDBKVZJQHMANF-UHFFFAOYSA-N 0 0 437.580 5.496 50 30 IKEARN COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21 ZINC000009731824 569564720 /nfs/dbraw/zinc/56/47/20/569564720.db2.gz RPFCIOZSOQYZED-NRFANRHFSA-N 0 0 434.927 5.265 50 30 IKEARN Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000009761269 569566189 /nfs/dbraw/zinc/56/61/89/569566189.db2.gz XSIUJHPKASYGPA-HSZRJFAPSA-N 0 0 446.934 5.497 50 30 IKEARN Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000009761130 569566227 /nfs/dbraw/zinc/56/62/27/569566227.db2.gz XSIUJHPKASYGPA-QHCPKHFHSA-N 0 0 446.934 5.497 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000009761171 569566231 /nfs/dbraw/zinc/56/62/31/569566231.db2.gz DNJULKZQAGXJOT-ZLNRFVROSA-N 0 0 425.488 5.171 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(F)cc3)sc2C1 ZINC000009762925 569566511 /nfs/dbraw/zinc/56/65/11/569566511.db2.gz VNZAXTWKFAUXCE-CQSZACIVSA-N 0 0 429.586 5.427 50 30 IKEARN N#Cc1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1NC(=O)c1ccccc1 ZINC000009763726 569566661 /nfs/dbraw/zinc/56/66/61/569566661.db2.gz RYDPMVYGWXEQEZ-UHFFFAOYSA-N 0 0 431.520 6.754 50 30 IKEARN CCCCCn1c(SCC#N)nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2c1=O ZINC000009775425 569566933 /nfs/dbraw/zinc/56/69/33/569566933.db2.gz NHKQNVPXIJGBCE-UHFFFAOYSA-N 0 0 440.956 5.108 50 30 IKEARN CCCCCn1c(SCC#N)nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O ZINC000009775430 569566936 /nfs/dbraw/zinc/56/69/36/569566936.db2.gz BGHJXMKAJKNRHN-UHFFFAOYSA-N 0 0 434.565 5.072 50 30 IKEARN C=CCn1c(SCC(=O)N2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000009767643 569566953 /nfs/dbraw/zinc/56/69/53/569566953.db2.gz GGCBQTSIKCAZDC-UHFFFAOYSA-N 0 0 442.997 5.016 50 30 IKEARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)nc(SCC#N)n(C2CCCCC2)c3=O)c1 ZINC000009775402 569566969 /nfs/dbraw/zinc/56/69/69/569566969.db2.gz LHDSCSKCFULWAZ-UHFFFAOYSA-N 0 0 446.576 5.387 50 30 IKEARN Cc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)no1 ZINC000009781320 569567565 /nfs/dbraw/zinc/56/75/65/569567565.db2.gz LGCKLTBPPPNSKH-UHFFFAOYSA-N 0 0 440.528 5.623 50 30 IKEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CSc2ccc3ccccc3n2)c1C#N ZINC000009847321 569571142 /nfs/dbraw/zinc/57/11/42/569571142.db2.gz HTQIBSPRUUGRDI-UHFFFAOYSA-N 0 0 432.574 5.365 50 30 IKEARN Cc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000009850045 569571368 /nfs/dbraw/zinc/57/13/68/569571368.db2.gz UZZCPPWEQNVDDW-WSDLNYQXSA-N 0 0 446.963 5.819 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861339 569571969 /nfs/dbraw/zinc/57/19/69/569571969.db2.gz YWXRZJRAAOSIAX-QHCPKHFHSA-N 0 0 429.347 6.300 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1c(F)cccc1Cl)N2 ZINC000009861361 569572021 /nfs/dbraw/zinc/57/20/21/569572021.db2.gz ZUEWCCDXEGVPEP-VWLOTQADSA-N 0 0 446.909 6.296 50 30 IKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000009875622 569572631 /nfs/dbraw/zinc/57/26/31/569572631.db2.gz DYZUMHIMYGFUHC-UHFFFAOYSA-N 0 0 444.915 5.113 50 30 IKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(F)c2)CCCC3)c(OC)c1 ZINC000009907618 569573151 /nfs/dbraw/zinc/57/31/51/569573151.db2.gz KUFUSXIITMJVQI-VULFUBBASA-N 0 0 438.524 5.786 50 30 IKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1 ZINC000009907678 569573180 /nfs/dbraw/zinc/57/31/80/569573180.db2.gz CXFLXFSHLTVOFN-AFUMVMLFSA-N 0 0 436.533 5.266 50 30 IKEARN CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CC[C@H](C)C3)cc1 ZINC000009907620 569573194 /nfs/dbraw/zinc/57/31/94/569573194.db2.gz FCEQIHZOIAIOKH-ZXSUQFSISA-N 0 0 436.552 6.414 50 30 IKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000009907625 569573199 /nfs/dbraw/zinc/57/31/99/569573199.db2.gz GRBPHZITUAMPKJ-AKBIMGJMSA-N 0 0 447.604 5.950 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1C(=O)CCCC1=N2 ZINC000009942368 569574023 /nfs/dbraw/zinc/57/40/23/569574023.db2.gz KQQLEXWUKMHFIH-SFHVURJKSA-N 0 0 447.402 5.345 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ccccc3c2)c1 ZINC000009952384 569574589 /nfs/dbraw/zinc/57/45/89/569574589.db2.gz GEUJFTQBHAWLKX-UHFFFAOYSA-N 0 0 437.524 5.695 50 30 IKEARN C=CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000009952130 569574596 /nfs/dbraw/zinc/57/45/96/569574596.db2.gz NGHSVYGPDVNHKI-MRXNPFEDSA-N 0 0 449.605 5.053 50 30 IKEARN N#Cc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1 ZINC000071327656 569575377 /nfs/dbraw/zinc/57/53/77/569575377.db2.gz JGEDBMFYYWWTOP-UHFFFAOYSA-N 0 0 437.977 5.518 50 30 IKEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000009971260 569576305 /nfs/dbraw/zinc/57/63/05/569576305.db2.gz HUYXGJWAGCRFOS-MHHKKEGSSA-N 0 0 426.516 6.241 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CC)sc1SCC ZINC000009982589 569576545 /nfs/dbraw/zinc/57/65/45/569576545.db2.gz BSSAIYMLNNQSCM-IBGZPJMESA-N 0 0 433.639 5.590 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1C1CCCCC1 ZINC000009983864 569576589 /nfs/dbraw/zinc/57/65/89/569576589.db2.gz NTCQMMWQONEJEG-UHFFFAOYSA-N 0 0 435.391 5.005 50 30 IKEARN N#Cc1c(SC[S@@](=O)Cc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000009993105 569576926 /nfs/dbraw/zinc/57/69/26/569576926.db2.gz ZNWZQLDLWBXZEE-SSEXGKCCSA-N 0 0 446.622 6.347 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009993305 569576928 /nfs/dbraw/zinc/57/69/28/569576928.db2.gz KBUZBABDLMXTCF-FQEVSTJZSA-N 0 0 446.915 5.733 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009993304 569576935 /nfs/dbraw/zinc/57/69/35/569576935.db2.gz KBUZBABDLMXTCF-HXUWFJFHSA-N 0 0 446.915 5.733 50 30 IKEARN N#Cc1c(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCCC2 ZINC000010021612 569577150 /nfs/dbraw/zinc/57/71/50/569577150.db2.gz CJZMIMPHRJCRGR-UHFFFAOYSA-N 0 0 448.928 5.301 50 30 IKEARN C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000010022523 569577276 /nfs/dbraw/zinc/57/72/76/569577276.db2.gz TXOUNTYLZDPTCN-ZDUSSCGKSA-N 0 0 430.599 5.439 50 30 IKEARN CCCc1cc(SCC(=O)Nc2ccc(C(C)=O)cc2)n2c3ccccc3nc2c1C#N ZINC000010233848 569579631 /nfs/dbraw/zinc/57/96/31/569579631.db2.gz UYNSPCRRHUUULH-UHFFFAOYSA-N 0 0 442.544 5.245 50 30 IKEARN C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000010240473 569579736 /nfs/dbraw/zinc/57/97/36/569579736.db2.gz WFJIPMXVPDBLCP-HNNXBMFYSA-N 0 0 444.963 5.235 50 30 IKEARN Cc1c(C=NN=c2[nH]c3ccccc3s2)c2cc(C)ccc2n1Cc1ccccc1Cl ZINC000001848535 569583080 /nfs/dbraw/zinc/58/30/80/569583080.db2.gz ADGWLKZNTRFKKD-MZJWZYIUSA-N 0 0 444.991 7.016 50 30 IKEARN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(Br)cc1 ZINC000017195397 569583169 /nfs/dbraw/zinc/58/31/69/569583169.db2.gz RNKFCDFKWWMQPM-WSDLNYQXSA-N 0 0 425.355 5.912 50 30 IKEARN Cc1cccc(OCCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1 ZINC000002594785 569584472 /nfs/dbraw/zinc/58/44/72/569584472.db2.gz CIMQPJOLYZRDCV-WPWMEQJKSA-N 0 0 440.572 6.475 50 30 IKEARN Clc1ccccc1OCCn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000001840671 569585053 /nfs/dbraw/zinc/58/50/53/569585053.db2.gz BBASBMXLZOUREY-CVKSISIWSA-N 0 0 446.963 6.429 50 30 IKEARN N#Cc1ccc(COCC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000077191717 569586004 /nfs/dbraw/zinc/58/60/04/569586004.db2.gz PJCMATRNIZNWFU-UHFFFAOYSA-N 0 0 439.559 5.286 50 30 IKEARN COc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000018182234 121840498 /nfs/dbraw/zinc/84/04/98/121840498.db2.gz YNYOPHJNYDOHFX-JHXFIANCSA-N 0 0 430.529 5.074 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000022022899 122287081 /nfs/dbraw/zinc/28/70/81/122287081.db2.gz BKSBJZRIXRIOKB-PHSRYYMBSA-N 0 0 444.556 5.464 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(F)cc1 ZINC000030738697 122584840 /nfs/dbraw/zinc/58/48/40/122584840.db2.gz WFTROEHQCDJWQO-YJOHERITSA-N 0 0 427.570 5.990 50 30 IKEARN CCN1c2ccccc2S/C1=C1\S/C(=N\C2CCCCC2)N(c2ccc(C)cc2)C1=O ZINC000100202049 123466516 /nfs/dbraw/zinc/46/65/16/123466516.db2.gz SYXXEDPXRNHKLT-SLJQUXCSSA-N 0 0 449.645 6.565 50 30 IKEARN Cc1cc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2c2ccccc12 ZINC000000628291 193862361 /nfs/dbraw/zinc/86/23/61/193862361.db2.gz ISUOZFJEVVUDDI-UHFFFAOYSA-N 0 0 447.589 5.124 50 30 IKEARN CC(C)CCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N ZINC000000637575 193866031 /nfs/dbraw/zinc/86/60/31/193866031.db2.gz AFIYHTHTXLEGNP-UHFFFAOYSA-N 0 0 433.899 5.085 50 30 IKEARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c12 ZINC000000642409 193868104 /nfs/dbraw/zinc/86/81/04/193868104.db2.gz GWVWZXGAZNQJQP-UHFFFAOYSA-N 0 0 444.494 5.529 50 30 IKEARN CC[C@H]1CCc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000000663954 193877487 /nfs/dbraw/zinc/87/74/87/193877487.db2.gz RSFSCTBSJSRHFF-HNNXBMFYSA-N 0 0 447.526 5.204 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)ccc2C#N)cc1Cl ZINC000000662217 193876933 /nfs/dbraw/zinc/87/69/33/193876933.db2.gz DLFDUNGDCYEUMX-UHFFFAOYSA-N 0 0 437.908 5.042 50 30 IKEARN N#Cc1c2c(c(NCc3ccccc3)nc1N1CCCCC1)CN(Cc1ccccc1)CC2 ZINC000002252026 132250048 /nfs/dbraw/zinc/25/00/48/132250048.db2.gz VGOKXYBOJJWBQV-UHFFFAOYSA-N 0 0 437.591 5.114 50 30 IKEARN Cc1c(C#N)sc2nc(-c3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c12 ZINC000002836408 132257363 /nfs/dbraw/zinc/25/73/63/132257363.db2.gz ZAGQSVHLADELBB-UHFFFAOYSA-N 0 0 429.524 5.004 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)CCN3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000003279711 132263075 /nfs/dbraw/zinc/26/30/75/132263075.db2.gz JBQUPEHAOQTTJS-UHFFFAOYSA-N 0 0 448.547 6.824 50 30 IKEARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3sc4c(c3C#N)CCC4)C2=O)cc1C ZINC000003415023 132265080 /nfs/dbraw/zinc/26/50/80/132265080.db2.gz NUSQONFVJCOGOE-HMAPJEAMSA-N 0 0 439.540 5.365 50 30 IKEARN COc1ccc(C2=C(N3CCN(c4cc(Cl)ccc4C)CC3)c3ccccc3C2=O)cc1 ZINC000008594444 132284470 /nfs/dbraw/zinc/28/44/70/132284470.db2.gz VHKUGPWOSWDIPQ-UHFFFAOYSA-N 0 0 444.962 5.544 50 30 aggregator IKEARN Cc1ccc(N2C(=O)N[C@H](c3ccc(C#N)cc3)C(C(=O)Nc3ccccc3C)=C2C)cc1 ZINC000009516923 132320114 /nfs/dbraw/zinc/32/01/14/132320114.db2.gz UBMGMVHAONPSAE-RUZDIDTESA-N 0 0 436.515 5.359 50 30 IKEARN Cc1c2c(ccc1OCc1ccc(F)cc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000008992515 518186193 /nfs/dbraw/zinc/18/61/93/518186193.db2.gz YWQRRXJPLFBIDQ-BHGWPJFGSA-N 0 0 447.893 6.474 50 30 IKEARN Brc1ccc(-c2csc(N=NC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000013302868 518208509 /nfs/dbraw/zinc/20/85/09/518208509.db2.gz COTJFVYEFRVGEW-UHFFFAOYSA-N 0 0 434.362 6.437 50 30 IKEARN C#CCN(Cc1ccc(OC(=O)OC(C)(C)C)c(OC)c1)Cc1ccc2ccccc2n1 ZINC000096009226 518260007 /nfs/dbraw/zinc/26/00/07/518260007.db2.gz ZNGHIYLDRMOFSN-UHFFFAOYSA-N 0 0 432.520 5.193 50 30 IKEARN C#CCn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000008857054 518339013 /nfs/dbraw/zinc/33/90/13/518339013.db2.gz AFUOVZAIWWLGGW-UHFFFAOYSA-N 0 0 436.624 7.440 50 30 IKEARN C/C(=N/N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000012342839 518449154 /nfs/dbraw/zinc/44/91/54/518449154.db2.gz XGEQYKKCOQNCMG-LQNQUEJISA-N 0 0 447.369 6.978 50 30 IKEARN C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C ZINC000035843483 518456504 /nfs/dbraw/zinc/45/65/04/518456504.db2.gz WSMKQFMANYJLSX-FSGOGVSDSA-N 0 0 446.953 7.494 50 30 IKEARN C/C(=N/OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843457 518457058 /nfs/dbraw/zinc/45/70/58/518457058.db2.gz OJOHSUKQPKSHQM-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN C/C(=N/OCc1ccccc1C)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C ZINC000035843374 518457281 /nfs/dbraw/zinc/45/72/81/518457281.db2.gz MEXXIZJGCVLWJD-BRPDVVIDSA-N 0 0 428.963 7.355 50 30 IKEARN C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C ZINC000035843421 518457317 /nfs/dbraw/zinc/45/73/17/518457317.db2.gz YISYRLZZSUGDDM-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000035238180 518459101 /nfs/dbraw/zinc/45/91/01/518459101.db2.gz BKLPEKOJKKUVLX-VNSNFZHPSA-N 0 0 438.358 5.761 50 30 IKEARN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000012343300 518463849 /nfs/dbraw/zinc/46/38/49/518463849.db2.gz XSGACTQCKMZITC-MUFRIFMGSA-N 0 0 433.342 6.954 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1Br ZINC000043761280 518466441 /nfs/dbraw/zinc/46/64/41/518466441.db2.gz XGWXJOUEENXVOJ-LSHDLFTRSA-N 0 0 441.181 6.716 50 30 IKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000011614469 518549638 /nfs/dbraw/zinc/54/96/38/518549638.db2.gz RSYYMMUXQNEIOU-AJGZSZGKSA-N 0 0 437.539 7.461 50 30 IKEARN C/N=C1/S/C(=C\c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C ZINC000210973426 518571648 /nfs/dbraw/zinc/57/16/48/518571648.db2.gz NOGLDMOKBGVJSZ-MICMYVEHSA-N 0 0 425.312 5.243 50 30 IKEARN C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000080720271 518587528 /nfs/dbraw/zinc/58/75/28/518587528.db2.gz CDXFIRXEAJABAZ-UHFFFAOYSA-N 0 0 432.176 5.235 50 30 IKEARN CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000012364933 518595141 /nfs/dbraw/zinc/59/51/41/518595141.db2.gz STMQGGLWSSQXCU-BDTNDASRSA-N 0 0 449.476 5.848 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]2c1ccccc1 ZINC000008855063 518596645 /nfs/dbraw/zinc/59/66/45/518596645.db2.gz WRCJNJHZYXADIT-XMMPIXPASA-N 0 0 446.547 6.407 50 30 IKEARN CC(C)(C)C1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000095670513 518597377 /nfs/dbraw/zinc/59/73/77/518597377.db2.gz VEDXDZRQOYXKTL-UHFFFAOYSA-N 0 0 434.664 7.895 50 30 IKEARN C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3cccc4ncccc43)c(C)c2cc1Cl ZINC000013627657 518610781 /nfs/dbraw/zinc/61/07/81/518610781.db2.gz NPZICUVVBGXWIT-UHFFFAOYSA-N 0 0 448.906 5.439 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001243898 518625731 /nfs/dbraw/zinc/62/57/31/518625731.db2.gz OMXRYZCXEOMXIB-GOSISDBHSA-N 0 0 426.607 5.521 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002292079 518625739 /nfs/dbraw/zinc/62/57/39/518625739.db2.gz YEIHTDXYIZTGEG-UHFFFAOYSA-N 0 0 442.628 6.634 50 30 biogenic IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)SC3 ZINC000002280225 518625809 /nfs/dbraw/zinc/62/58/09/518625809.db2.gz ACQMVYIAYUTQEN-UHFFFAOYSA-N 0 0 428.648 5.992 50 30 IKEARN C=C(C)CSc1nnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1 ZINC000012872208 518627317 /nfs/dbraw/zinc/62/73/17/518627317.db2.gz PMAYXGWAJWGKOJ-IBGZPJMESA-N 0 0 441.647 6.295 50 30 IKEARN C=C(Cl)COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000012693828 518650523 /nfs/dbraw/zinc/65/05/23/518650523.db2.gz WIOOMJATZXGVOX-UHFFFAOYSA-N 0 0 432.303 5.138 50 30 IKEARN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000038253912 518657338 /nfs/dbraw/zinc/65/73/38/518657338.db2.gz ZGLHBRQAEXKACO-YEKXXYMTSA-N 0 0 428.657 5.727 50 30 in-vivo IKEARN C=C1S/C(=N\c2cccc(OC)c2)N(C(=O)[C@@H](c2ccccc2)C2CCCC2)C1(C)C ZINC000013463816 518666854 /nfs/dbraw/zinc/66/68/54/518666854.db2.gz RAMYAZFESKGKCS-NHKLCZRASA-N 0 0 434.605 6.524 50 30 IKEARN C=CCCC(=O)N[C@@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1 ZINC000012242910 518696743 /nfs/dbraw/zinc/69/67/43/518696743.db2.gz JKSADICZNIGJLM-INIZCTEOSA-N 0 0 433.021 5.737 50 30 IKEARN C=CCCC(=O)NCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1C ZINC000012152668 518696885 /nfs/dbraw/zinc/69/68/85/518696885.db2.gz HNZYPSWVPFNOGG-UHFFFAOYSA-N 0 0 426.973 5.104 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)s2)C[C@@H]2CCCO2)o1 ZINC000036203562 518697588 /nfs/dbraw/zinc/69/75/88/518697588.db2.gz AZNSZVCTZFAKBK-NRFANRHFSA-N 0 0 429.626 5.951 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2OC)C(C)C)o1 ZINC000036202362 518697926 /nfs/dbraw/zinc/69/79/26/518697926.db2.gz JEAGDSGHAHMEPR-UHFFFAOYSA-N 0 0 427.585 5.827 50 30 IKEARN C=CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000015733517 518735530 /nfs/dbraw/zinc/73/55/30/518735530.db2.gz MVQSRWDLEALRBD-LJQANCHMSA-N 0 0 425.488 5.390 50 30 IKEARN C=CCN(C(=O)c1cc2sc(N(CC)CC)nc2s1)c1nc2c(s1)CCCC2 ZINC000040155152 518737644 /nfs/dbraw/zinc/73/76/44/518737644.db2.gz ZXLQZMIVFUAXGK-UHFFFAOYSA-N 0 0 432.640 5.372 50 30 IKEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)CCCCCC ZINC000035774430 518745593 /nfs/dbraw/zinc/74/55/93/518745593.db2.gz VRQMLFSGYNXRSF-UHFFFAOYSA-N 0 0 444.616 5.709 50 30 IKEARN C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009593772 518790083 /nfs/dbraw/zinc/79/00/83/518790083.db2.gz CUHFVQBNVNHWRZ-UHFFFAOYSA-N 0 0 449.605 5.130 50 30 IKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036106144 518795262 /nfs/dbraw/zinc/79/52/62/518795262.db2.gz MKPQZMPUSMEADH-UHFFFAOYSA-N 0 0 436.577 5.484 50 30 IKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccc(OC)c1 ZINC000036105158 518796758 /nfs/dbraw/zinc/79/67/58/518796758.db2.gz LDGNEYXEQYVWQL-UHFFFAOYSA-N 0 0 436.577 5.683 50 30 IKEARN C=CCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035981352 518800065 /nfs/dbraw/zinc/80/00/65/518800065.db2.gz XFGADRVFHJGZCV-UHFFFAOYSA-N 0 0 433.861 5.432 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCc2c(Cl)cccc2Cl)SC1=S ZINC000012285467 518828191 /nfs/dbraw/zinc/82/81/91/518828191.db2.gz JOGOVARKRNQNBZ-WQRHYEAKSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S ZINC000012343688 518832059 /nfs/dbraw/zinc/83/20/59/518832059.db2.gz HHBYSUIXVDXTBR-WOJGMQOQSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000012343720 518833403 /nfs/dbraw/zinc/83/34/03/518833403.db2.gz GJPFNTOSGVRMJI-WOJGMQOQSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S ZINC000012343718 518833680 /nfs/dbraw/zinc/83/36/80/518833680.db2.gz BNQCOUHNXZVGDO-HMMYKYKNSA-N 0 0 445.993 5.575 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cccc(C)c2)SC1=S ZINC000022242032 518834577 /nfs/dbraw/zinc/83/45/77/518834577.db2.gz CWURBLNKVQJTKZ-LTGZKZEYSA-N 0 0 425.575 5.230 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S ZINC000012343723 518834647 /nfs/dbraw/zinc/83/46/47/518834647.db2.gz AQTGFZYVSHVTSY-VCHYOVAHSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1 ZINC000008743590 518837215 /nfs/dbraw/zinc/83/72/15/518837215.db2.gz SUUOKAQVXPRLDV-BJUXRVGASA-N 0 0 434.348 5.140 50 30 IKEARN C=CCN1C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N/N=C/c1ccc(OC)cc1 ZINC000006142065 518847219 /nfs/dbraw/zinc/84/72/19/518847219.db2.gz PZZFPISBOBBHCJ-IFRDHECKSA-N 0 0 448.375 5.065 50 30 IKEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc([C@@H](C)CC)cc2)CC1=O ZINC000004910504 518871302 /nfs/dbraw/zinc/87/13/02/518871302.db2.gz JFCBJJQXBQGVQF-UNMCSNQZSA-N 0 0 431.580 5.521 50 30 IKEARN C=CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1 ZINC000037542231 518933235 /nfs/dbraw/zinc/93/32/35/518933235.db2.gz YNPMTDYGDSCRGD-UHFFFAOYSA-N 0 0 443.288 5.448 50 30 IKEARN C=CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912920 518937702 /nfs/dbraw/zinc/93/77/02/518937702.db2.gz BMLGVMAWAPMFMM-UHFFFAOYSA-N 0 0 434.948 5.567 50 30 IKEARN C=CCNc1nc(Nc2cccc3ccccc32)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000002495666 518965155 /nfs/dbraw/zinc/96/51/55/518965155.db2.gz QHWRQNDPIAMTEX-UHFFFAOYSA-N 0 0 443.351 5.238 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000037577362 518969207 /nfs/dbraw/zinc/96/92/07/518969207.db2.gz BSECAYXAXSLNAE-SFHVURJKSA-N 0 0 431.866 5.138 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000037280140 518969606 /nfs/dbraw/zinc/96/96/06/518969606.db2.gz BXVCNSLZTHRPOM-LJQANCHMSA-N 0 0 430.331 5.513 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000037577358 518969705 /nfs/dbraw/zinc/96/97/05/518969705.db2.gz DTKAPPZHIJKIGF-NRFANRHFSA-N 0 0 443.465 5.533 50 30 IKEARN C=CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000001777113 518975732 /nfs/dbraw/zinc/97/57/32/518975732.db2.gz ARFHGHWYFBPQBN-UHFFFAOYSA-N 0 0 434.366 5.922 50 30 IKEARN C=CCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCC=C)c1c2-c1ccc(C)cc1 ZINC000001782052 518977390 /nfs/dbraw/zinc/97/73/90/518977390.db2.gz KVIMBKUZZUSEOD-UHFFFAOYSA-N 0 0 446.459 5.004 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1OCC ZINC000015010792 519003211 /nfs/dbraw/zinc/00/32/11/519003211.db2.gz CECUMLHDOIRQEK-WQRHYEAKSA-N 0 0 446.981 5.100 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000002164852 519003415 /nfs/dbraw/zinc/00/34/15/519003415.db2.gz XFGBGNKWVWVKLQ-YVLHZVERSA-N 0 0 436.316 5.808 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000033349265 519004321 /nfs/dbraw/zinc/00/43/21/519004321.db2.gz UDGAXPRWOLJBBQ-XDHOZWIPSA-N 0 0 447.915 5.679 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000002161875 519004619 /nfs/dbraw/zinc/00/46/19/519004619.db2.gz UOGUPGAITPLEMD-WQRHYEAKSA-N 0 0 433.888 5.289 50 30 IKEARN C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000097003045 519011135 /nfs/dbraw/zinc/01/11/35/519011135.db2.gz HXXFQLGKLAWEKU-CPNJWEJPSA-N 0 0 425.941 5.078 50 30 IKEARN C=CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC=C ZINC000002080972 519015320 /nfs/dbraw/zinc/01/53/20/519015320.db2.gz XJNSOQAZJDGWSF-NVMNQCDNSA-N 0 0 431.822 5.092 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000012194208 519029766 /nfs/dbraw/zinc/02/97/66/519029766.db2.gz XDMYLYYKULHGBB-IXCJQBJRSA-N 0 0 440.543 6.283 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000012194255 519029876 /nfs/dbraw/zinc/02/98/76/519029876.db2.gz FJEKASOJDJPVBY-KCWPFWIISA-N 0 0 442.515 5.511 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000012194251 519030428 /nfs/dbraw/zinc/03/04/28/519030428.db2.gz SIXRAWDDQDJTPY-IXCJQBJRSA-N 0 0 438.527 6.059 50 30 IKEARN CC(C)(C)c1ccc(CSCCNC2=CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000019880101 519031688 /nfs/dbraw/zinc/03/16/88/519031688.db2.gz RLFDRMULMPLOKN-FQEVSTJZSA-N 0 0 437.605 5.566 50 30 IKEARN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000012523339 519040018 /nfs/dbraw/zinc/04/00/18/519040018.db2.gz TYRPHZDJNMOFLK-UHFFFAOYSA-N 0 0 432.520 5.047 50 30 IKEARN CC(C)(C)c1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1 ZINC000016035540 519041858 /nfs/dbraw/zinc/04/18/58/519041858.db2.gz IXEFSCWAUIVULW-MKMNVTDBSA-N 0 0 426.472 6.452 50 30 IKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000008869470 519044756 /nfs/dbraw/zinc/04/47/56/519044756.db2.gz SLFKMUZAMXAILW-HSZRJFAPSA-N 0 0 427.456 5.005 50 30 IKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000002253687 519047401 /nfs/dbraw/zinc/04/74/01/519047401.db2.gz LQMBVFJCDKIJOG-OAQYLSRUSA-N 0 0 444.512 5.181 50 30 IKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC ZINC000046076270 519048903 /nfs/dbraw/zinc/04/89/03/519048903.db2.gz LAZCWWLVENINBA-LJQANCHMSA-N 0 0 435.545 5.861 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009236058 519049183 /nfs/dbraw/zinc/04/91/83/519049183.db2.gz YKQAWPGEECCHEK-QHCPKHFHSA-N 0 0 426.516 5.158 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C3C(=O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1 ZINC000002420663 519049606 /nfs/dbraw/zinc/04/96/06/519049606.db2.gz PKOYRACQFYEDOR-VWLOTQADSA-N 0 0 429.541 5.532 50 30 IKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 ZINC000002416938 519059607 /nfs/dbraw/zinc/05/96/07/519059607.db2.gz RZWGJNIUSNQWAG-JOCHJYFZSA-N 0 0 444.874 5.156 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccc(C(F)(F)F)cc1 ZINC000035912881 519063426 /nfs/dbraw/zinc/06/34/26/519063426.db2.gz HXNWCHLLHIUWOA-MRXNPFEDSA-N 0 0 430.470 5.802 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NCc1ccncc1)n2Cc1ccccc1Cl ZINC000035927896 519064150 /nfs/dbraw/zinc/06/41/50/519064150.db2.gz XCBGHMFBXQYQBR-UHFFFAOYSA-N 0 0 431.923 5.233 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NCc1cccnc1)n2Cc1cccc(Cl)c1 ZINC000035908450 519064337 /nfs/dbraw/zinc/06/43/37/519064337.db2.gz JOSBKQWMJLDUGJ-UHFFFAOYSA-N 0 0 431.923 5.233 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1ccc(C(F)(F)F)cc1 ZINC000035912880 519064497 /nfs/dbraw/zinc/06/44/97/519064497.db2.gz XYJMQOFYLDMSMC-UHFFFAOYSA-N 0 0 430.470 5.802 50 30 IKEARN C=CCSc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000019878695 519077270 /nfs/dbraw/zinc/07/72/70/519077270.db2.gz YLTJOKCNVJLJPT-UHFFFAOYSA-N 0 0 427.707 5.541 50 30 IKEARN C=CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002054772 519081987 /nfs/dbraw/zinc/08/19/87/519081987.db2.gz FFVQSGXZVMNIFP-UHFFFAOYSA-N 0 0 428.601 6.244 50 30 biogenic IKEARN C=CCSc1nnc(N2C(=O)C[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)s1 ZINC000012402394 519086063 /nfs/dbraw/zinc/08/60/63/519086063.db2.gz RMTQCMXQADRKFZ-GFCCVEGCSA-N 0 0 431.608 5.041 50 30 IKEARN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001085932 519148999 /nfs/dbraw/zinc/14/89/99/519148999.db2.gz SROGWZWKRJBQEJ-BZZOAKBMSA-N 0 0 436.968 5.086 50 30 IKEARN C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)s/c1=N\c1ccc(C)cc1 ZINC000013764957 519149671 /nfs/dbraw/zinc/14/96/71/519149671.db2.gz XJRXRAPMVHSRBZ-RQZHXJHFSA-N 0 0 428.626 7.332 50 30 IKEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000044085747 519149701 /nfs/dbraw/zinc/14/97/01/519149701.db2.gz MSUVKMYIIHQFLO-UHFFFAOYSA-N 0 0 428.901 5.029 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=Nc1ccc(Br)cc1 ZINC000027015986 519150979 /nfs/dbraw/zinc/15/09/79/519150979.db2.gz ZNWXGYOUWQCIHJ-QOCHGBHMSA-N 0 0 444.354 5.576 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1nc2ccccc2s1 ZINC000012566649 519154451 /nfs/dbraw/zinc/15/44/51/519154451.db2.gz OKSGZACFBSMWLG-UHFFFAOYSA-N 0 0 447.610 6.213 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000006073551 519156171 /nfs/dbraw/zinc/15/61/71/519156171.db2.gz JRFWIZQRUXBMMG-UHFFFAOYSA-N 0 0 442.584 5.439 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCc1ccc(Cl)cc1)-c1ccccc1CC21CCCC1 ZINC000013660688 519156452 /nfs/dbraw/zinc/15/64/52/519156452.db2.gz QMEMSEBRRLXLKM-UHFFFAOYSA-N 0 0 449.019 6.410 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1C ZINC000002627420 519171105 /nfs/dbraw/zinc/17/11/05/519171105.db2.gz ZGSZCNPXIKMLAP-UHFFFAOYSA-N 0 0 435.574 5.231 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000002209800 519184966 /nfs/dbraw/zinc/18/49/66/519184966.db2.gz GGRCONCWGJSPSP-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000009307520 519185140 /nfs/dbraw/zinc/18/51/40/519185140.db2.gz ARCVSBUUGLPUJJ-UHFFFAOYSA-N 0 0 436.581 5.206 50 30 IKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000003278601 519185674 /nfs/dbraw/zinc/18/56/74/519185674.db2.gz SYFAXFCVPCPINH-UHFFFAOYSA-N 0 0 434.392 6.205 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2s1 ZINC000009540323 519185943 /nfs/dbraw/zinc/18/59/43/519185943.db2.gz HVBRSUZDFJMZNA-UHFFFAOYSA-N 0 0 428.970 5.599 50 30 IKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1csc(-c2ccccc2)n1 ZINC000003274545 519186090 /nfs/dbraw/zinc/18/60/90/519186090.db2.gz RWLAVUPHRFOZPD-UHFFFAOYSA-N 0 0 448.617 6.021 50 30 IKEARN C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009327922 519187750 /nfs/dbraw/zinc/18/77/50/519187750.db2.gz DCOQCZBAQNUCAV-UHFFFAOYSA-N 0 0 437.540 5.036 50 30 IKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000002360269 519193597 /nfs/dbraw/zinc/19/35/97/519193597.db2.gz HBUDVDLJFRZUIY-MRXNPFEDSA-N 0 0 426.611 5.361 50 30 IKEARN C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000019648420 519206333 /nfs/dbraw/zinc/20/63/33/519206333.db2.gz JPIXIAMXHWIBGF-INIZCTEOSA-N 0 0 449.020 5.189 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cc2ccccc2o1 ZINC000015018914 519212363 /nfs/dbraw/zinc/21/23/63/519212363.db2.gz FWIKZCMJVDDXSA-UHFFFAOYSA-N 0 0 438.940 5.570 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1ccccc1C ZINC000001049297 519217392 /nfs/dbraw/zinc/21/73/92/519217392.db2.gz MKJLPCDELOBQKE-UHFFFAOYSA-N 0 0 435.597 5.017 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 ZINC000013513323 519219417 /nfs/dbraw/zinc/21/94/17/519219417.db2.gz WIQGSZLRYBLWGP-UHFFFAOYSA-N 0 0 443.532 5.049 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000009479857 519221919 /nfs/dbraw/zinc/22/19/19/519221919.db2.gz MSPWUMIMGUDSFS-UHFFFAOYSA-N 0 0 434.952 5.669 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc(Cl)c1 ZINC000013803889 519222019 /nfs/dbraw/zinc/22/20/19/519222019.db2.gz AELWBPLERZPSCY-UHFFFAOYSA-N 0 0 434.952 5.669 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1occc1C ZINC000003351280 519224552 /nfs/dbraw/zinc/22/45/52/519224552.db2.gz FUFWGUZHRMBFSV-UHFFFAOYSA-N 0 0 430.533 5.430 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nnc1C1CCCCC1 ZINC000013028383 519230205 /nfs/dbraw/zinc/23/02/05/519230205.db2.gz VIMDWTMXQPRABY-HXUWFJFHSA-N 0 0 442.629 5.084 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(OC)c1 ZINC000009328566 519232374 /nfs/dbraw/zinc/23/23/74/519232374.db2.gz SNSDCPQYVRGPEL-UHFFFAOYSA-N 0 0 434.348 5.422 50 30 IKEARN C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1cc2ccccc2o1 ZINC000057291704 519233383 /nfs/dbraw/zinc/23/33/83/519233383.db2.gz CCLRUUFWCZAGEI-UHFFFAOYSA-N 0 0 442.544 5.827 50 30 IKEARN C=CCn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1ccco1 ZINC000022188236 519236851 /nfs/dbraw/zinc/23/68/51/519236851.db2.gz ODVFOHXYNCYFEP-UHFFFAOYSA-N 0 0 433.320 5.978 50 30 IKEARN C=CCn1c(SCc2cc3ccc(C)cc3nc2Cl)nnc1-c1ccccc1OC ZINC000013074696 519238614 /nfs/dbraw/zinc/23/86/14/519238614.db2.gz VNHPLEWZAXYUTQ-UHFFFAOYSA-N 0 0 436.968 5.942 50 30 IKEARN C=CCn1c(SCc2ccccc2C)nnc1-c1csc(C)c1-c1ccc(C)cc1 ZINC000017097696 519245811 /nfs/dbraw/zinc/24/58/11/519245811.db2.gz VUMQAXCVMKNJJE-UHFFFAOYSA-N 0 0 431.630 7.077 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000012819698 519250362 /nfs/dbraw/zinc/25/03/62/519250362.db2.gz WGDMCVSGBWVNKH-INIZCTEOSA-N 0 0 438.984 5.245 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 ZINC000008745159 519252078 /nfs/dbraw/zinc/25/20/78/519252078.db2.gz ZYGKPHHJHQYFNS-SFHVURJKSA-N 0 0 441.560 5.312 50 30 IKEARN C=CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000012695950 519254871 /nfs/dbraw/zinc/25/48/71/519254871.db2.gz FRGAXTUDEVCHKE-NRFANRHFSA-N 0 0 436.556 5.116 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1 ZINC000009329109 519257928 /nfs/dbraw/zinc/25/79/28/519257928.db2.gz ZAPOLNZUDKAKKH-CQSZACIVSA-N 0 0 439.566 5.070 50 30 IKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(N(CC)CC)cc1 ZINC000100874383 519261285 /nfs/dbraw/zinc/26/12/85/519261285.db2.gz ZWRQJVXASKIBMU-LNVKXUELSA-N 0 0 444.398 5.239 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(C)n(-c4cc(C)on4)c3C)c12 ZINC000012688060 519266039 /nfs/dbraw/zinc/26/60/39/519266039.db2.gz SGRBVKQBDGAQEO-VAWYXSNFSA-N 0 0 439.519 5.383 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc4c(cc3OCC)C[C@@H](C)O4)c12 ZINC000012681232 519266445 /nfs/dbraw/zinc/26/64/45/519266445.db2.gz NQHLJROAYVULNT-FMQWLBJXSA-N 0 0 441.531 5.402 50 30 IKEARN C=CCn1c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604626 519268748 /nfs/dbraw/zinc/26/87/48/519268748.db2.gz YINWKSYBGKGAIQ-UHFFFAOYSA-N 0 0 442.260 5.088 50 30 IKEARN CC(C)(O)C#Cc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(O)c2)cc1 ZINC000020999284 519332216 /nfs/dbraw/zinc/33/22/16/519332216.db2.gz ZHFAJQYSASOATN-MUUNZHRXSA-N 0 0 436.555 5.144 50 30 IKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)c(C)cc3NC(C)(C)C2=S)S1 ZINC000001896328 519370745 /nfs/dbraw/zinc/37/07/45/519370745.db2.gz VFFQHFGASOTVJJ-FCDQGJHFSA-N 0 0 437.655 6.984 50 30 IKEARN CC(C)/C(Cl)=N\OC(NC(=O)Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F ZINC000100679930 519383898 /nfs/dbraw/zinc/38/38/98/519383898.db2.gz UDEMUCNRHRKLCJ-KIBLKLHPSA-N 0 0 440.171 5.507 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000012381906 519477414 /nfs/dbraw/zinc/47/74/14/519477414.db2.gz QMJDXUNAWVEDGN-AFMDSPMNSA-N 0 0 426.516 5.836 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)s1 ZINC000000994455 519640189 /nfs/dbraw/zinc/64/01/89/519640189.db2.gz MEOAIUDWLHOVHU-HXUWFJFHSA-N 0 0 445.382 5.674 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccco1 ZINC000000681733 519640245 /nfs/dbraw/zinc/64/02/45/519640245.db2.gz MNMDEHXZKFJNTK-SSOJOUAXSA-N 0 0 443.459 5.108 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000001481048 519640294 /nfs/dbraw/zinc/64/02/94/519640294.db2.gz MAZMYUIRJFIAFD-WTYVLRPYSA-N 0 0 440.518 6.055 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000018107332 519640542 /nfs/dbraw/zinc/64/05/42/519640542.db2.gz AGSJCDZPIJHFJN-QFIPXVFZSA-N 0 0 429.347 6.156 50 30 IKEARN CC(C)CN(CC(C)C)c1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] ZINC000008442521 519713822 /nfs/dbraw/zinc/71/38/22/519713822.db2.gz CIPGNGGJENZWCY-RWPZCVJISA-N 0 0 443.547 7.363 50 30 IKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2)CC(C)C ZINC000020650856 519717827 /nfs/dbraw/zinc/71/78/27/519717827.db2.gz HNJWVSUANJKIDK-YVNNLAQVSA-N 0 0 431.935 5.915 50 30 IKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccccc13)O2)CC(C)C ZINC000020648698 519718194 /nfs/dbraw/zinc/71/81/94/519718194.db2.gz FTSBTGHEAVTOLG-BRJLIKDPSA-N 0 0 432.564 5.614 50 30 IKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000077312159 519756952 /nfs/dbraw/zinc/75/69/52/519756952.db2.gz PMBSWZWCNKVWLV-SXOYSHEPSA-N 0 0 442.684 7.139 50 30 in-vitro IKEARN CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000254302375 519757040 /nfs/dbraw/zinc/75/70/40/519757040.db2.gz HTZDJVPKUOXQMG-GLGRMFGFSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000253534210 519757179 /nfs/dbraw/zinc/75/71/79/519757179.db2.gz PMBSWZWCNKVWLV-YWZZNCOXSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12 ZINC000257348678 519757298 /nfs/dbraw/zinc/75/72/98/519757298.db2.gz HXUGNDVVHVLCAY-VXWAUESUSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000257349965 519757503 /nfs/dbraw/zinc/75/75/03/519757503.db2.gz SWTNFHMWIPZFLE-YSYRZKQJSA-N 0 0 448.647 6.860 50 30 IKEARN CC(=O)[C@@H](/C=N/OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008781452 519760059 /nfs/dbraw/zinc/76/00/59/519760059.db2.gz NPIVENQXQWFUMU-GMCBVQGUSA-N 0 0 448.133 5.647 50 30 IKEARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000012736730 519821800 /nfs/dbraw/zinc/82/18/00/519821800.db2.gz QFYBVQLVAZZPEV-JTQLQIEISA-N 0 0 429.752 5.220 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 ZINC000002096562 519834302 /nfs/dbraw/zinc/83/43/02/519834302.db2.gz XTIVEQPQNORNQN-MYKKPKGFSA-N 0 0 428.440 5.374 50 30 biogenic IKEARN CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000009805291 519839653 /nfs/dbraw/zinc/83/96/53/519839653.db2.gz ZWOYZOAVXBSZMW-FWUCURJTSA-N 0 0 444.578 7.425 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000104182679 519840207 /nfs/dbraw/zinc/84/02/07/519840207.db2.gz BCDPESCVCNJTCL-WOOAAIBNSA-N 0 0 438.936 5.546 50 30 IKEARN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000021721914 519877403 /nfs/dbraw/zinc/87/74/03/519877403.db2.gz FBHFHRWRQHGBFV-AREMUKBSSA-N 0 0 431.580 5.138 50 30 IKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000012652482 519884060 /nfs/dbraw/zinc/88/40/60/519884060.db2.gz RTLVASMBPGAUNB-VOIUYBSRSA-N 0 0 431.492 5.366 50 30 IKEARN CCCCC(NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc21)=C1C(=O)CCCC1=O ZINC000100140090 519916624 /nfs/dbraw/zinc/91/66/24/519916624.db2.gz BHBCTKGYSXMASL-UHFFFAOYSA-N 0 0 436.474 5.273 50 30 IKEARN CCCCCC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C ZINC000006635082 519927152 /nfs/dbraw/zinc/92/71/52/519927152.db2.gz SVGLNJIGDXUCDK-AREMUKBSSA-N 0 0 433.596 5.625 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000018107290 519928158 /nfs/dbraw/zinc/92/81/58/519928158.db2.gz WODPAPKCXDYOQJ-CLYVBNDRSA-N 0 0 444.531 6.354 50 30 IKEARN CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1 ZINC000098021327 519961925 /nfs/dbraw/zinc/96/19/25/519961925.db2.gz AWFZNGZUDJNSBR-UHFFFAOYSA-N 0 0 443.035 5.347 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1 ZINC000098021444 519972743 /nfs/dbraw/zinc/97/27/43/519972743.db2.gz RKCZPVBTPGZZOU-DEOSSOPVSA-N 0 0 428.573 6.293 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1 ZINC000098022874 519972767 /nfs/dbraw/zinc/97/27/67/519972767.db2.gz ZZGAGWVMZOCRLO-AREMUKBSSA-N 0 0 438.637 6.771 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000098021445 519973814 /nfs/dbraw/zinc/97/38/14/519973814.db2.gz YSZBDCFPYRFCPA-AREMUKBSSA-N 0 0 438.637 6.771 50 30 IKEARN CCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCC ZINC000100297820 519974047 /nfs/dbraw/zinc/97/40/47/519974047.db2.gz UBQXQCCAPASFJR-UHFFFAOYSA-N 0 0 430.626 5.607 50 30 IKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)C ZINC000102997390 519975735 /nfs/dbraw/zinc/97/57/35/519975735.db2.gz SMRNLDHDKFCNBM-HSZRJFAPSA-N 0 0 434.621 5.165 50 30 IKEARN CCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCC ZINC000056898843 519983483 /nfs/dbraw/zinc/98/34/83/519983483.db2.gz WITKSCOBOCOGSC-VWLOTQADSA-N 0 0 440.709 8.303 50 30 in-man IKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCC ZINC000008386490 519991125 /nfs/dbraw/zinc/99/11/25/519991125.db2.gz OMQXJSWEEKPJGU-VWLOTQADSA-N 0 0 447.660 6.464 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000078413746 519992231 /nfs/dbraw/zinc/99/22/31/519992231.db2.gz YCKBFTDVBBMHES-UHFFFAOYSA-N 0 0 436.680 9.923 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OCCCCC)cc1 ZINC000100029720 519993366 /nfs/dbraw/zinc/99/33/66/519993366.db2.gz DTAYQVXQSMMJIO-UHFFFAOYSA-N 0 0 445.732 9.456 50 30 biogenic IKEARN CCCCCCCCCCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000038139357 519997357 /nfs/dbraw/zinc/99/73/57/519997357.db2.gz ZBNJXSZNWZUYCI-UHFFFAOYSA-O 0 0 436.638 7.088 50 30 IKEARN CCCCCCCCCCCCCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398389 520003395 /nfs/dbraw/zinc/00/33/95/520003395.db2.gz FCBXCISVXVKAIE-UHFFFAOYSA-N 0 0 436.666 5.627 50 30 IKEARN CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094921 520006391 /nfs/dbraw/zinc/00/63/91/520006391.db2.gz PWZJXSPDNGIODC-PKTZIBPZSA-O 0 0 444.677 5.311 50 30 in-vitro IKEARN CCCCCCCCCCCCCCSCCCCCCCCCCCCCC ZINC000100015153 520007638 /nfs/dbraw/zinc/00/76/38/520007638.db2.gz OCTONCPZMJYQLP-UHFFFAOYSA-N 0 0 426.839 11.122 50 30 IKEARN CCCCCCCCCCCCCCOc1cccc(NCn2nnc3ccccc32)c1 ZINC000008399366 520007949 /nfs/dbraw/zinc/00/79/49/520007949.db2.gz YPVSVADLZGJCSJ-UHFFFAOYSA-N 0 0 436.644 7.581 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000097997152 520022153 /nfs/dbraw/zinc/02/21/53/520022153.db2.gz XMXNZCXFQZHIET-QLYXXIJNSA-N 0 0 448.607 6.617 50 30 IKEARN CCCCCCCCCCSCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000059211798 520023065 /nfs/dbraw/zinc/02/30/65/520023065.db2.gz LRKZFOZFQZWUDM-UHFFFAOYSA-N 0 0 426.622 6.953 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000008427018 520023588 /nfs/dbraw/zinc/02/35/88/520023588.db2.gz JTQJGDQENFZYRF-UHFFFAOYSA-N 0 0 436.518 7.869 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(C)c(C)c2)cc1 ZINC000008385979 520023778 /nfs/dbraw/zinc/02/37/78/520023778.db2.gz DWZGRVBYHGGWNE-UHFFFAOYSA-N 0 0 440.628 7.023 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000100037908 520024149 /nfs/dbraw/zinc/02/41/49/520024149.db2.gz DBRDMFBDSAYYGH-HSZRJFAPSA-N 0 0 446.635 8.242 50 30 IKEARN CCCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)cc1 ZINC000008383694 520025703 /nfs/dbraw/zinc/02/57/03/520025703.db2.gz ZEKHYCOBVASXFI-JOCHJYFZSA-N 0 0 437.624 6.718 50 30 IKEARN CCCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000097951547 520028014 /nfs/dbraw/zinc/02/80/14/520028014.db2.gz DTPGMSXRNZHFTI-UHFFFAOYSA-N 0 0 431.646 5.416 50 30 IKEARN CCCCCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21 ZINC000102818198 520029098 /nfs/dbraw/zinc/02/90/98/520029098.db2.gz XWRSAOLWIZLAPW-UHFFFAOYSA-N 0 0 430.552 6.063 50 30 IKEARN CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097954776 520030806 /nfs/dbraw/zinc/03/08/06/520030806.db2.gz HLPJGEFAZYYPTN-NRFANRHFSA-N 0 0 433.596 6.316 50 30 IKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CCCC)C2=O)SC1=S ZINC000001835886 520032634 /nfs/dbraw/zinc/03/26/34/520032634.db2.gz IHCGQYKIADLTFE-VXPUYCOJSA-N 0 0 430.639 5.765 50 30 IKEARN CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)N(CCCC)C1=O ZINC000008431340 520033923 /nfs/dbraw/zinc/03/39/23/520033923.db2.gz KNEACJZTYDHWJP-LVZFUZTISA-N 0 0 448.007 5.896 50 30 IKEARN CCCCCCCCNC(=O)c1cccnc1SCc1cccc(Br)c1 ZINC000003021375 520034697 /nfs/dbraw/zinc/03/46/97/520034697.db2.gz SHQQTRDTOJVXLW-UHFFFAOYSA-N 0 0 435.431 6.227 50 30 IKEARN CCCCCCCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002737641 520035449 /nfs/dbraw/zinc/03/54/49/520035449.db2.gz WAVKUJSQPJGFNU-UHFFFAOYSA-N 0 0 439.397 6.755 50 30 IKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 ZINC000217910909 520042649 /nfs/dbraw/zinc/04/26/49/520042649.db2.gz OSGKGPMIZSAPTI-QFIPXVFZSA-N 0 0 448.559 6.736 50 30 biogenic IKEARN CCCCCCCCOc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1 ZINC000002361044 520043524 /nfs/dbraw/zinc/04/35/24/520043524.db2.gz SEYVQSPZLLFXAX-UHFFFAOYSA-N 0 0 427.544 6.478 50 30 IKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(Cl)c1 ZINC000050704706 520050152 /nfs/dbraw/zinc/05/01/52/520050152.db2.gz PYIRSOQEEXDVIO-UHFFFAOYSA-N 0 0 445.010 7.968 50 30 IKEARN CCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O ZINC000001824855 520051306 /nfs/dbraw/zinc/05/13/06/520051306.db2.gz PWUHFMGJAIGCFS-UHFFFAOYSA-N 0 0 430.390 6.477 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000059503808 520059917 /nfs/dbraw/zinc/05/99/17/520059917.db2.gz KOOQSRKTRUFHRG-QHCPKHFHSA-N 0 0 448.523 5.747 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 ZINC000097953159 520061192 /nfs/dbraw/zinc/06/11/92/520061192.db2.gz FCJYMFBYMLQXFD-UHFFFAOYSA-N 0 0 426.561 5.109 50 30 IKEARN CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000097940396 520064136 /nfs/dbraw/zinc/06/41/36/520064136.db2.gz YNBRJYJMWHBLJM-QFIPXVFZSA-N 0 0 431.576 7.109 50 30 IKEARN CCCCCCCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl ZINC000050862507 520066479 /nfs/dbraw/zinc/06/64/79/520066479.db2.gz ZEEYESLWYAGPGO-UHFFFAOYSA-N 0 0 433.980 6.530 50 30 IKEARN CCCCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 ZINC000002400091 520070302 /nfs/dbraw/zinc/07/03/02/520070302.db2.gz KGVGUJONNPXLKB-UHFFFAOYSA-N 0 0 434.540 5.643 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002412395 520072682 /nfs/dbraw/zinc/07/26/82/520072682.db2.gz VNFRNYSCNRUFTP-UHFFFAOYSA-N 0 0 429.524 5.215 50 30 IKEARN CCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2/N=C/c2cccs2)c1=O ZINC000009292214 520138653 /nfs/dbraw/zinc/13/86/53/520138653.db2.gz YWGRSUXLGNTMEC-MFKUBSTISA-N 0 0 444.564 5.127 50 30 IKEARN CC/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC ZINC000008444819 520205740 /nfs/dbraw/zinc/20/57/40/520205740.db2.gz JFBIQWUQAAUWBX-OKWLUECYSA-N 0 0 428.863 5.931 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000002927019 520209296 /nfs/dbraw/zinc/20/92/96/520209296.db2.gz BACMQGSHIULFSS-CJFMBICVSA-N 0 0 431.532 5.010 50 30 IKEARN CCCCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(Cc1ccccc1)C2 ZINC000020764016 520229230 /nfs/dbraw/zinc/22/92/30/520229230.db2.gz NOLJLYNFHBFATP-UHFFFAOYSA-N 0 0 439.607 5.726 50 30 IKEARN CCCCCOc1ccc(/C=C2/CCC/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000035330975 520247971 /nfs/dbraw/zinc/24/79/71/520247971.db2.gz FETMZSSJZUELET-VDUNRZOZSA-N 0 0 446.631 8.045 50 30 IKEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)cc1 ZINC000019833865 520249435 /nfs/dbraw/zinc/24/94/35/520249435.db2.gz BIWYDRADXLLKGV-HYARGMPZSA-N 0 0 445.386 5.448 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1 ZINC000020136269 520256743 /nfs/dbraw/zinc/25/67/43/520256743.db2.gz BOCTWKRYRYIDQR-UHFFFAOYSA-N 0 0 441.571 6.452 50 30 IKEARN CCCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005092869 520259019 /nfs/dbraw/zinc/25/90/19/520259019.db2.gz MPBHOJHESNZCEY-HHHXNRCGSA-N 0 0 432.608 7.094 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc(Cl)cc4)nn3[C@H]2c2ccc(Cl)cc2)C1 ZINC000021658643 520259458 /nfs/dbraw/zinc/25/94/58/520259458.db2.gz MLWIDVCSXXXLDW-QHCPKHFHSA-N 0 0 438.358 6.515 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccccc4)nn3[C@H]2c2ccc(Br)cc2)C1 ZINC000021658676 520259743 /nfs/dbraw/zinc/25/97/43/520259743.db2.gz QOFOVDHFAAHVSP-QHCPKHFHSA-N 0 0 448.364 5.971 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(O)cc1 ZINC000009246682 520259986 /nfs/dbraw/zinc/25/99/86/520259986.db2.gz UHKFJYFVMFKIQX-AREMUKBSSA-N 0 0 438.527 5.845 50 30 IKEARN CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000036532510 520260317 /nfs/dbraw/zinc/26/03/17/520260317.db2.gz WOAMSVFCZIFFFK-DEOSSOPVSA-N 0 0 435.608 7.069 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Br)c1)OCO3 ZINC000012349575 520260100 /nfs/dbraw/zinc/26/01/00/520260100.db2.gz BKRIASRLTWHDJO-HXUWFJFHSA-N 0 0 426.310 5.378 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3[C@H]2c2ccc(F)cc2)C1 ZINC000064873964 520260371 /nfs/dbraw/zinc/26/03/71/520260371.db2.gz SIMFEUSQLHGFRY-QFIPXVFZSA-N 0 0 448.473 5.072 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)cc1)OCCO3 ZINC000004794488 520260431 /nfs/dbraw/zinc/26/04/31/520260431.db2.gz YHSOMHJNKIFCNX-OAQYLSRUSA-N 0 0 440.337 5.421 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)s1)OCO3 ZINC000012349566 520260726 /nfs/dbraw/zinc/26/07/26/520260726.db2.gz NTBFWGIIHHNSGF-GOSISDBHSA-N 0 0 432.339 5.440 50 30 IKEARN CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000005341790 520260809 /nfs/dbraw/zinc/26/08/09/520260809.db2.gz WOAMSVFCZIFFFK-XMMPIXPASA-N 0 0 435.608 7.069 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N1C(=O)c3ccccc3[C@@H]21 ZINC000018116178 520260944 /nfs/dbraw/zinc/26/09/44/520260944.db2.gz MJWQZFQSWLNLBD-SANMLTNESA-N 0 0 448.522 5.688 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1ccccc1 ZINC000021722097 520261577 /nfs/dbraw/zinc/26/15/77/520261577.db2.gz NKIMWHYTPHUKNG-VWLOTQADSA-N 0 0 441.531 5.806 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1ccccc1 ZINC000021722089 520263025 /nfs/dbraw/zinc/26/30/25/520263025.db2.gz AAXDOSGNAXKKMX-VWLOTQADSA-N 0 0 429.564 5.955 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1cccs1 ZINC000021722262 520263068 /nfs/dbraw/zinc/26/30/68/520263068.db2.gz DDNHFMGKKCPSLG-QHCPKHFHSA-N 0 0 435.593 6.017 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCCC1)[C@H]2c1ccco1 ZINC000009504738 520264843 /nfs/dbraw/zinc/26/48/43/520264843.db2.gz NMTCAHBUBMEBCI-SANMLTNESA-N 0 0 447.579 5.345 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(I)c1 ZINC000018250042 520265827 /nfs/dbraw/zinc/26/58/27/520265827.db2.gz MYEIBTIZYYFAFE-FQEVSTJZSA-N 0 0 444.316 5.513 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OCc2ccccc2F)cc1 ZINC000012402405 520266226 /nfs/dbraw/zinc/26/62/26/520266226.db2.gz AZXBZCYPCIUTBU-MHZLTWQESA-N 0 0 442.534 6.627 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1 ZINC000002271597 520267441 /nfs/dbraw/zinc/26/74/41/520267441.db2.gz MAKAEKVFRHITCN-UHFFFAOYSA-N 0 0 426.556 6.754 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2F)o1 ZINC000001025368 520269248 /nfs/dbraw/zinc/26/92/48/520269248.db2.gz KOILAOYHQRDEEV-UHFFFAOYSA-N 0 0 434.507 6.486 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850873 520273130 /nfs/dbraw/zinc/27/31/30/520273130.db2.gz HCTIDTCDOZXMNO-LJQANCHMSA-N 0 0 441.557 5.127 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850243 520274021 /nfs/dbraw/zinc/27/40/21/520274021.db2.gz HJFCDOZPRJQOBK-LJQANCHMSA-N 0 0 431.005 5.872 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1C(=O)CCCC1=N2 ZINC000009942364 520274613 /nfs/dbraw/zinc/27/46/13/520274613.db2.gz KQQLEXWUKMHFIH-GOSISDBHSA-N 0 0 447.402 5.345 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1Br ZINC000018118804 520287927 /nfs/dbraw/zinc/28/79/27/520287927.db2.gz OWEFIUSTMCYYBI-LJQANCHMSA-N 0 0 434.333 6.227 50 30 IKEARN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000003000176 520294452 /nfs/dbraw/zinc/29/44/52/520294452.db2.gz MXSZTDHPHPAARP-UHFFFAOYSA-N 0 0 430.928 5.656 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000020647375 520495640 /nfs/dbraw/zinc/49/56/40/520495640.db2.gz WHEQHRIFFBTEKK-JLPGSUDCSA-N 0 0 439.552 5.428 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009271459 520495848 /nfs/dbraw/zinc/49/58/48/520495848.db2.gz VEKIOHJACGZVRW-DEOSSOPVSA-N 0 0 431.532 5.646 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C\c1cc3ccccc3o1)O2 ZINC000020649852 520496478 /nfs/dbraw/zinc/49/64/78/520496478.db2.gz RCYVTNDOESHAPC-LFVJCYFKSA-N 0 0 433.548 6.465 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000001130158 520497582 /nfs/dbraw/zinc/49/75/82/520497582.db2.gz SAXCBFNQTZAPLH-YADARESESA-N 0 0 433.573 5.333 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000001184397 520498633 /nfs/dbraw/zinc/49/86/33/520498633.db2.gz BQEAGWNBPANOMQ-KSFYIVLOSA-N 0 0 439.602 5.395 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000001132848 520500198 /nfs/dbraw/zinc/50/01/98/520500198.db2.gz OAGBZAFLRCGTBD-QVKFZJNVSA-N 0 0 445.437 5.223 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(CC)s1 ZINC000006197664 520500497 /nfs/dbraw/zinc/50/04/97/520500497.db2.gz VEHPKAAVCHEUTI-PEBXRYMYSA-N 0 0 427.591 5.297 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)SC(=Cc2ccc(O)c(C)c2)C1=O ZINC000036258538 520534046 /nfs/dbraw/zinc/53/40/46/520534046.db2.gz LFHJBSLTBLDGJW-GZTJUZNOSA-N 0 0 449.450 5.263 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(OCC)cc1 ZINC000013306317 520555691 /nfs/dbraw/zinc/55/56/91/520555691.db2.gz VHOWKWWTWXMHIJ-ZMPCKTLKSA-N 0 0 439.606 5.860 50 30 IKEARN CCCSc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000002504247 520571440 /nfs/dbraw/zinc/57/14/40/520571440.db2.gz NLIFCNUNWPYLPG-OAHLLOKOSA-N 0 0 427.595 5.204 50 30 IKEARN CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)N(C)C ZINC000013055988 520618807 /nfs/dbraw/zinc/61/88/07/520618807.db2.gz LRKMWQUIXUIRLR-OAUONFCTSA-N 0 0 436.335 5.144 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O ZINC000014257288 520625577 /nfs/dbraw/zinc/62/55/77/520625577.db2.gz YASOULSQRVOPLY-DBPHPPTCSA-N 0 0 430.957 5.704 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)ccc1O ZINC000013805611 520631747 /nfs/dbraw/zinc/63/17/47/520631747.db2.gz JRROZVREZHGKHW-PXNMLYILSA-N 0 0 442.846 5.355 50 30 IKEARN CCOc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000096765845 520636632 /nfs/dbraw/zinc/63/66/32/520636632.db2.gz XDDFFJMOICQQRS-YBEGLDIGSA-N 0 0 444.531 5.065 50 30 IKEARN CCCCNc1nc(CSc2nc(C(F)F)cc(C)c2C#N)c(C(=O)OCC)s1 ZINC000020607449 520700668 /nfs/dbraw/zinc/70/06/68/520700668.db2.gz FIAFSFSKIBUFLD-UHFFFAOYSA-N 0 0 440.541 5.337 50 30 IKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)ccc1OC ZINC000021349720 520778277 /nfs/dbraw/zinc/77/82/77/520778277.db2.gz QBUAXCKLUMGEGR-UPCLLVRISA-N 0 0 446.503 5.054 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013568 520811539 /nfs/dbraw/zinc/81/15/39/520811539.db2.gz YNHOOWWJUHDADK-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000022216189 520812567 /nfs/dbraw/zinc/81/25/67/520812567.db2.gz WZDGZFPTHVGXIH-NRFANRHFSA-N 0 0 433.508 5.042 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001070627 520816178 /nfs/dbraw/zinc/81/61/78/520816178.db2.gz VPXIKURZVDVKSA-AOMKIAJQSA-N 0 0 441.980 5.715 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000666619 520818259 /nfs/dbraw/zinc/81/82/59/520818259.db2.gz IYGDBOCEZSZGLS-XMMPIXPASA-N 0 0 436.596 5.233 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781186 520819063 /nfs/dbraw/zinc/81/90/63/520819063.db2.gz VCCPBBWFNKCBSJ-OPAMFIHVSA-N 0 0 439.602 5.657 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000666751 520819858 /nfs/dbraw/zinc/81/98/58/520819858.db2.gz PPJAPMPUIWUORI-NBGIEHNGSA-N 0 0 449.978 5.901 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019830814 520820382 /nfs/dbraw/zinc/82/03/82/520820382.db2.gz JHTBJUSVJWSFGY-CJFMBICVSA-N 0 0 433.523 5.387 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019855326 520821275 /nfs/dbraw/zinc/82/12/75/520821275.db2.gz PUMHXNHZVUZKGS-CPJSRVTESA-N 0 0 433.523 5.387 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781301 520821749 /nfs/dbraw/zinc/82/17/49/520821749.db2.gz CYRJXPPPAOQGQD-SBUREZEXSA-N 0 0 439.552 5.448 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000716971 520824749 /nfs/dbraw/zinc/82/47/49/520824749.db2.gz HVUWVUHNSBZCNF-HSZRJFAPSA-N 0 0 437.486 5.312 50 30 IKEARN CCOc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC ZINC000012619347 520848949 /nfs/dbraw/zinc/84/89/49/520848949.db2.gz BJDCCWRIZUGCMN-NNFYUIBOSA-N 0 0 436.548 5.967 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1 ZINC000097464892 520859548 /nfs/dbraw/zinc/85/95/48/520859548.db2.gz VIWOCADVAOAYEJ-BRBBDLJVSA-N 0 0 426.538 5.117 50 30 IKEARN CCOc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1 ZINC000027018264 520872539 /nfs/dbraw/zinc/87/25/39/520872539.db2.gz VTXPLMDXKUBAQA-LTGZKZEYSA-N 0 0 445.540 6.136 50 30 IKEARN CCN(CC)c1ccc(/C=C2/CC(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000033399584 520879228 /nfs/dbraw/zinc/87/92/28/520879228.db2.gz SFXPLYOSNTZJFW-GLGFVMGMSA-N 0 0 430.636 6.845 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984295 520883092 /nfs/dbraw/zinc/88/30/92/520883092.db2.gz PRYQEPHRLLUOKY-UHFFFAOYSA-N 0 0 447.556 5.858 50 30 IKEARN CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000033097086 520884632 /nfs/dbraw/zinc/88/46/32/520884632.db2.gz TZKRCBPRLXRXGF-KQACQGCHSA-N 0 0 449.668 6.525 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000051366909 520896813 /nfs/dbraw/zinc/89/68/13/520896813.db2.gz NVHYTASQZUFVJY-MQBMHJJESA-N 0 0 444.398 5.392 50 30 IKEARN CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(CCCC)cc2)S1 ZINC000012194659 520911358 /nfs/dbraw/zinc/91/13/58/520911358.db2.gz GVCOBXZNLSJPRX-ZCBHOAFYSA-N 0 0 437.609 5.372 50 30 IKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000008995346 520922595 /nfs/dbraw/zinc/92/25/95/520922595.db2.gz DNXSRZULBGSFSP-ZTOMLWHTSA-N 0 0 437.587 6.512 50 30 IKEARN CCN(CC)c1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1 ZINC000004794505 520923666 /nfs/dbraw/zinc/92/36/66/520923666.db2.gz NLVJCYLQMXCHRM-VWLOTQADSA-N 0 0 432.564 5.505 50 30 IKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000008995347 520924260 /nfs/dbraw/zinc/92/42/60/520924260.db2.gz DNXSRZULBGSFSP-MNNSJKJDSA-N 0 0 437.587 6.512 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CCC3)cc1OC ZINC000012564546 521247851 /nfs/dbraw/zinc/24/78/51/521247851.db2.gz NVVFSBTXPUHOMW-XMMPIXPASA-N 0 0 447.510 5.292 50 30 IKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)ccn2)CC1 ZINC000018148452 521257663 /nfs/dbraw/zinc/25/76/63/521257663.db2.gz UDBWAKVDHVOHMF-UHFFFAOYSA-N 0 0 438.579 5.040 50 30 IKEARN CCOc1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 ZINC000013576530 521270037 /nfs/dbraw/zinc/27/00/37/521270037.db2.gz FGZPNPTYWDRTON-OAQYLSRUSA-N 0 0 443.543 5.454 50 30 biogenic IKEARN CCOc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000001185599 521273319 /nfs/dbraw/zinc/27/33/19/521273319.db2.gz FXWKVXXIUHSQOH-HHHXNRCGSA-N 0 0 438.527 5.902 50 30 IKEARN CCOc1ccc([C@H]2c3c(cc(OC)c(OC)c3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794518 521275833 /nfs/dbraw/zinc/27/58/33/521275833.db2.gz HDUMIDJOVSEWSL-OAQYLSRUSA-N 0 0 437.536 5.312 50 30 IKEARN CCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000001080215 521276177 /nfs/dbraw/zinc/27/61/77/521276177.db2.gz LUHXGQBPZJLMON-PIKZIKFNSA-N 0 0 446.550 6.592 50 30 IKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000012368701 521276924 /nfs/dbraw/zinc/27/69/24/521276924.db2.gz VOBNOMJLKJIYCY-LADGPHEKSA-N 0 0 438.445 6.178 50 30 IKEARN CCOc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 ZINC000012436858 521285212 /nfs/dbraw/zinc/28/52/12/521285212.db2.gz ALQBXPSBGNDKSG-LWTODMHQSA-N 0 0 441.512 5.216 50 30 IKEARN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000014009041 521297266 /nfs/dbraw/zinc/29/72/66/521297266.db2.gz BGOFCPTWTLESKZ-OBUXZSPNSA-N 0 0 432.545 5.489 50 30 IKEARN CCCCn1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176681 521354422 /nfs/dbraw/zinc/35/44/22/521354422.db2.gz RCQMOQBWTRKEMS-TWKHWXDSSA-N 0 0 448.526 7.153 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC)c(OC)c3)sc2C1 ZINC000035132136 521365538 /nfs/dbraw/zinc/36/55/38/521365538.db2.gz AEUQPGDABIMYAX-UEOUDEGLSA-N 0 0 438.593 5.830 50 30 IKEARN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1/C=N/N(c1ccccc1)c1ccccc1 ZINC000008399382 521367680 /nfs/dbraw/zinc/36/76/80/521367680.db2.gz NZEQKBVZJTZYTG-OVVQPSECSA-N 0 0 427.504 5.916 50 30 IKEARN CCOC(=O)c1cc(Cl)c(OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(Cl)c1 ZINC000012523089 521435823 /nfs/dbraw/zinc/43/58/23/521435823.db2.gz BTMOOIHWOSPSKB-UDWIEESQSA-N 0 0 448.346 5.430 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc2ncccc12 ZINC000013303958 521513684 /nfs/dbraw/zinc/51/36/84/521513684.db2.gz OOZYLMDLLGLYEG-JXAXBCJLSA-N 0 0 448.573 5.237 50 30 IKEARN CCOC(=O)c1sc(NCC(C)C)nc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000020607345 521615131 /nfs/dbraw/zinc/61/51/31/521615131.db2.gz VEZTXCBXSXCHGV-UHFFFAOYSA-N 0 0 440.541 5.193 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000012520212 521635877 /nfs/dbraw/zinc/63/58/77/521635877.db2.gz CVLCXEYQWASSSI-DJJJIMSYSA-N 0 0 426.508 5.000 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCCC(=O)Nc1ccccc1C#N ZINC000024758748 521636178 /nfs/dbraw/zinc/63/61/78/521636178.db2.gz QFVYUICUVLHUEU-UHFFFAOYSA-N 0 0 432.471 5.458 50 30 IKEARN CCOC1=CC(=C2C=C(Nc3ccc(C)cc3)c3c(C)oc(C)c3C(OCC)=C2)C=CC1=O ZINC000008818238 521637760 /nfs/dbraw/zinc/63/77/60/521637760.db2.gz NNOCUTKVNUYYES-MRCUWXFGSA-N 0 0 443.543 6.405 50 30 IKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Br)O2 ZINC000013655797 521647680 /nfs/dbraw/zinc/64/76/80/521647680.db2.gz SKZZOBVMDFGFNN-MOSHPQCFSA-N 0 0 430.342 5.393 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C)cc2C)c(C)n1 ZINC000032972856 521649568 /nfs/dbraw/zinc/64/95/68/521649568.db2.gz ANVIMJRPARSTKP-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c(C)n1 ZINC000032972748 521650274 /nfs/dbraw/zinc/65/02/74/521650274.db2.gz SPJGYPDOBCFQGZ-UHFFFAOYSA-N 0 0 431.584 5.297 50 30 IKEARN CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000021722871 521711737 /nfs/dbraw/zinc/71/17/37/521711737.db2.gz SLRMXMXCJNOQNQ-RUZDIDTESA-N 0 0 447.579 5.439 50 30 IKEARN CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000021356388 521711929 /nfs/dbraw/zinc/71/19/29/521711929.db2.gz ZOPMHFYKLCHVJZ-HSZRJFAPSA-N 0 0 437.540 5.032 50 30 IKEARN CCSc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1 ZINC000022906514 521758202 /nfs/dbraw/zinc/75/82/02/521758202.db2.gz LBCDOWUGMZVSKS-UHFFFAOYSA-N 0 0 433.602 5.542 50 30 IKEARN CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000036611333 521791505 /nfs/dbraw/zinc/79/15/05/521791505.db2.gz MACPCAUUYFEANJ-FSJBWODESA-N 0 0 442.928 5.666 50 30 IKEARN CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000036611332 521791732 /nfs/dbraw/zinc/79/17/32/521791732.db2.gz HKEKKMIXOWVUEH-ZVHZXABRSA-N 0 0 434.521 5.193 50 30 IKEARN CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 ZINC000020617947 521792052 /nfs/dbraw/zinc/79/20/52/521792052.db2.gz WLRHMCNOPGIQAT-NUGSKGIGSA-N 0 0 444.866 5.425 50 30 IKEARN CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 ZINC000020617980 521792901 /nfs/dbraw/zinc/79/29/01/521792901.db2.gz FBYGKKDUUMRILZ-FSJBWODESA-N 0 0 442.928 5.666 50 30 IKEARN CCc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(C)cc2)S1(=O)=O ZINC000020575712 521851054 /nfs/dbraw/zinc/85/10/54/521851054.db2.gz FHUUYNQOKCRINH-STZFKDTASA-N 0 0 438.574 5.105 50 30 IKEARN CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021356081 521891940 /nfs/dbraw/zinc/89/19/40/521891940.db2.gz UGITXKOPXMTIIX-VWLOTQADSA-N 0 0 443.572 6.523 50 30 IKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccccc1Cl ZINC000036020651 521893344 /nfs/dbraw/zinc/89/33/44/521893344.db2.gz HISGQXCECHFJPC-UHFFFAOYSA-N 0 0 447.966 6.102 50 30 IKEARN COC(=O)c1ccc(/C=C(\C(=O)c2cc(OC)cc(OC)c2)c2nc3ccccc3o2)cc1 ZINC000013655097 521934930 /nfs/dbraw/zinc/93/49/30/521934930.db2.gz QNFZMVNIBKEMSX-CIAFOILYSA-N 0 0 443.455 5.055 50 30 IKEARN COc1cc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000002184883 521951633 /nfs/dbraw/zinc/95/16/33/521951633.db2.gz FQCSLIXWCLOGMS-BUVRLJJBSA-N 0 0 444.556 5.783 50 30 IKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1F ZINC000012419568 521952395 /nfs/dbraw/zinc/95/23/95/521952395.db2.gz MTGYFMCWKDFMQK-HYARGMPZSA-N 0 0 434.492 5.305 50 30 IKEARN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000002054690 521957322 /nfs/dbraw/zinc/95/73/22/521957322.db2.gz DOEFHXDBPMGCQF-SSDVNMTOSA-N 0 0 443.351 6.911 50 30 IKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OCc1ccccc1F ZINC000036245393 521968483 /nfs/dbraw/zinc/96/84/83/521968483.db2.gz MTGYFMCWKDFMQK-HMAPJEAMSA-N 0 0 434.492 5.305 50 30 IKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC000012419618 521977754 /nfs/dbraw/zinc/97/77/54/521977754.db2.gz MGBIFJBBQLLBCJ-JJFYIABZSA-N 0 0 430.441 5.597 50 30 IKEARN COc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 ZINC000001740075 521986665 /nfs/dbraw/zinc/98/66/65/521986665.db2.gz RAODBYKFQKPPRJ-OVVQPSECSA-N 0 0 435.955 5.084 50 30 IKEARN COc1cc(CN=Nc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000009216479 521996364 /nfs/dbraw/zinc/99/63/64/521996364.db2.gz ICVMTJQYJAAQJM-BHGWPJFGSA-N 0 0 431.323 5.434 50 30 IKEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000006906991 521996584 /nfs/dbraw/zinc/99/65/84/521996584.db2.gz KJBPOBZAAJYKJJ-YDZHTSKRSA-N 0 0 434.477 5.238 50 30 IKEARN COc1cc(C(=O)/C(=C/C=C/c2ccco2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000013654990 522049773 /nfs/dbraw/zinc/04/97/73/522049773.db2.gz GBPHLLURRLRNOG-FHTUUITISA-N 0 0 431.444 5.426 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000009972255 522245053 /nfs/dbraw/zinc/24/50/53/522245053.db2.gz FYCTYEMAPAOEEF-WINIVTDRSA-N 0 0 427.523 5.871 50 30 IKEARN CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000004199816 522245127 /nfs/dbraw/zinc/24/51/27/522245127.db2.gz LJFKTOGWRXCVAM-RUZDIDTESA-N 0 0 429.564 5.306 50 30 IKEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000001411014 522311457 /nfs/dbraw/zinc/31/14/57/522311457.db2.gz ZCRQOXFBOGJFEI-UHFFFAOYSA-N 0 0 449.846 5.298 50 30 IKEARN CC[C@@H](C)c1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008874989 522429726 /nfs/dbraw/zinc/42/97/26/522429726.db2.gz ZEOQAZHMZKHYCM-PZLSILOWSA-N 0 0 447.535 6.402 50 30 IKEARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N ZINC000012545434 522516611 /nfs/dbraw/zinc/51/66/11/522516611.db2.gz PLPHQZUDGGMOMQ-NSHDSACASA-N 0 0 443.878 5.370 50 30 IKEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 ZINC000004252492 522788209 /nfs/dbraw/zinc/78/82/09/522788209.db2.gz GMVRRASQHIYZQN-ZRDIBKRKSA-N 0 0 434.488 5.196 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)c1 ZINC000035847630 522839381 /nfs/dbraw/zinc/83/93/81/522839381.db2.gz IIJBHMASTVHWHR-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2C)c1 ZINC000035847706 522839893 /nfs/dbraw/zinc/83/98/93/522839893.db2.gz ZROKFJAWMNLGNM-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000005397111 522877796 /nfs/dbraw/zinc/87/77/96/522877796.db2.gz HKLRGZCPIUHXOU-RUZDIDTESA-N 0 0 445.559 5.351 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000628595 522878219 /nfs/dbraw/zinc/87/82/19/522878219.db2.gz HOEJGLKPFPMWHM-QFIPXVFZSA-N 0 0 425.912 5.377 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCc2cccc(Cl)c2)c1 ZINC000000627331 522879218 /nfs/dbraw/zinc/87/92/18/522879218.db2.gz XFRREFHWGGKXDH-HSZRJFAPSA-N 0 0 437.923 5.060 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019761819 522880666 /nfs/dbraw/zinc/88/06/66/522880666.db2.gz DFPGCFXBBZYONE-UQBPGWFLSA-N 0 0 431.532 5.008 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O ZINC000000710624 522931687 /nfs/dbraw/zinc/93/16/87/522931687.db2.gz FDVXNNIFAZBQQL-QUGAMOGWSA-N 0 0 442.515 5.389 50 30 IKEARN COc1cc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)ccc1OC(=O)C(C)C ZINC000012401220 522937236 /nfs/dbraw/zinc/93/72/36/522937236.db2.gz AAFUBARIHVFGAJ-RUZDIDTESA-N 0 0 441.527 5.974 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)ccc1OC(C)C ZINC000013568611 522957559 /nfs/dbraw/zinc/95/75/59/522957559.db2.gz LEZOUGGFQGMRHJ-IEBWSBKVSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)ccc1OC(=O)C(C)C ZINC000012401222 522970782 /nfs/dbraw/zinc/97/07/82/522970782.db2.gz AAFUBARIHVFGAJ-VWLOTQADSA-N 0 0 441.527 5.974 50 30 IKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N/c3ccc(C)cc3C)NC2=O)o1 ZINC000012447027 522973476 /nfs/dbraw/zinc/97/34/76/522973476.db2.gz IVOXHDWCMVAVOS-CIAFOILYSA-N 0 0 449.488 5.372 50 30 IKEARN COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794448 522994231 /nfs/dbraw/zinc/99/42/31/522994231.db2.gz QODACFIISUFECI-IBGZPJMESA-N 0 0 427.928 5.566 50 30 IKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000013591083 523021872 /nfs/dbraw/zinc/02/18/72/523021872.db2.gz BJQAEPSZBKQFFF-FQEVSTJZSA-N 0 0 433.523 5.483 50 30 IKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000013576519 523022642 /nfs/dbraw/zinc/02/26/42/523022642.db2.gz CCFKZAIUMVVHHW-FQEVSTJZSA-N 0 0 449.978 5.997 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccccc1Cl ZINC000036046213 523076138 /nfs/dbraw/zinc/07/61/38/523076138.db2.gz QHJRUFUZVRTNLK-UHFFFAOYSA-N 0 0 447.966 6.102 50 30 IKEARN COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3)c(C)n2-c2ccccc2F)cc1 ZINC000035843379 523089977 /nfs/dbraw/zinc/08/99/77/523089977.db2.gz QFWABJHKGDWRCI-CEUNXORHSA-N 0 0 428.507 6.541 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(F)cc2)cc1OC ZINC000015837791 523240664 /nfs/dbraw/zinc/24/06/64/523240664.db2.gz PGWHMFIDDNVGDA-UVTDQMKNSA-N 0 0 428.463 5.592 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c2cc(OC)ccc21 ZINC000020650793 523303613 /nfs/dbraw/zinc/30/36/13/523303613.db2.gz CMBHOEYVCJCPAT-DHRITJCHSA-N 0 0 446.547 5.224 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)c2ccccc21 ZINC000020650222 523304127 /nfs/dbraw/zinc/30/41/27/523304127.db2.gz NZJVEMLDYNICJQ-UKDLMXTDSA-N 0 0 430.548 5.461 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000008993196 523306773 /nfs/dbraw/zinc/30/67/73/523306773.db2.gz QHKGVINCSYUHQP-LGJNPRDNSA-N 0 0 425.484 5.865 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccccc4F)ccc3C2=O)c2cc(OC)ccc21 ZINC000009422212 523307283 /nfs/dbraw/zinc/30/72/83/523307283.db2.gz FTMMHWDWTOONII-RPPGKUMJSA-N 0 0 443.474 6.004 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c2ccccc21 ZINC000028182578 523307710 /nfs/dbraw/zinc/30/77/10/523307710.db2.gz VTWNAFPHVFGPMF-UFVGZDAISA-N 0 0 435.523 6.678 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4OC)ccc3C2=O)c2ccccc21 ZINC000028182534 523310335 /nfs/dbraw/zinc/31/03/35/523310335.db2.gz DYAJMHFFXWIEHA-WGARJPEWSA-N 0 0 425.484 5.865 50 30 IKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3cccc(F)c3)cc2-c2ccc(F)cc2)cc1 ZINC000035843473 523311674 /nfs/dbraw/zinc/31/16/74/523311674.db2.gz GIMIPXJLGMIPSD-YKQZZPSBSA-N 0 0 446.497 6.680 50 30 IKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccc(C)cc3)cc2-c2ccc(F)cc2)cc1 ZINC000035843471 523312170 /nfs/dbraw/zinc/31/21/70/523312170.db2.gz ITRYKBPKKZGFRK-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012951741 523357976 /nfs/dbraw/zinc/35/79/76/523357976.db2.gz PVCQIYANENDXBU-HPLNABNRSA-N 0 0 436.895 5.981 50 30 IKEARN COc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1COc1ccccc1Cl ZINC000013640491 523400055 /nfs/dbraw/zinc/40/00/55/523400055.db2.gz KCKPOSIZDNSFLY-WUXMJOGZSA-N 0 0 444.918 6.009 50 30 IKEARN COc1ccc(/C=C/C(=O)c2cccs2)cc1COc1ccccc1Cc1ccccc1 ZINC000020608239 523403242 /nfs/dbraw/zinc/40/32/42/523403242.db2.gz JAVKPTJWVRWIQX-FYWRMAATSA-N 0 0 440.564 6.823 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1 ZINC000217800369 523421635 /nfs/dbraw/zinc/42/16/35/523421635.db2.gz REPYETNVMPJALL-UTKDAVAPSA-N 0 0 440.495 5.876 50 30 biogenic IKEARN COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013617823 523465862 /nfs/dbraw/zinc/46/58/62/523465862.db2.gz LWTDZZGXVXAKIK-MFKUBSTISA-N 0 0 443.415 5.228 50 30 IKEARN CC[C@@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Oc4ccccc4)cc3)cc2)=N1 ZINC000008687696 523519399 /nfs/dbraw/zinc/51/93/99/523519399.db2.gz QFFSNQJKVMTZBJ-AKCCUMBPSA-N 0 0 428.557 6.478 50 30 aggregator IKEARN COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000012564705 523542294 /nfs/dbraw/zinc/54/22/94/523542294.db2.gz NARKYBNNZQLZNN-RVDMUPIBSA-N 0 0 440.499 5.461 50 30 IKEARN COc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984368 523571514 /nfs/dbraw/zinc/57/15/14/523571514.db2.gz BFYIEEFXHHAUOS-UHFFFAOYSA-N 0 0 437.492 5.101 50 30 IKEARN COc1ccc(C(=O)C2=CN(c3cccc(SC)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984196 523572987 /nfs/dbraw/zinc/57/29/87/523572987.db2.gz CUJRAFUXCLNVQP-UHFFFAOYSA-N 0 0 437.542 5.067 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c1C ZINC000032973125 523635464 /nfs/dbraw/zinc/63/54/64/523635464.db2.gz ZIRVADNXAHSVHB-UHFFFAOYSA-N 0 0 445.611 5.258 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(C)c2C)c1C ZINC000032971776 523639231 /nfs/dbraw/zinc/63/92/31/523639231.db2.gz BSKGHVBOUBIMGP-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2cc(Cl)ccc2C)c1C ZINC000032971869 523639313 /nfs/dbraw/zinc/63/93/13/523639313.db2.gz QNYXLSRHMRDBMV-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc32)S/C1=N/c1cccc2ccccc21 ZINC000016189440 523726079 /nfs/dbraw/zinc/72/60/79/523726079.db2.gz BQLAPSVLVYMZJW-GYRUEZOASA-N 0 0 439.540 5.583 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 ZINC000008991717 523774509 /nfs/dbraw/zinc/77/45/09/523774509.db2.gz YJJYQDYQBMRCJF-ZVHZXABRSA-N 0 0 439.467 5.331 50 30 IKEARN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000014009072 523785747 /nfs/dbraw/zinc/78/57/47/523785747.db2.gz BAZHUGCCVDXIAJ-MXHYXOMCSA-N 0 0 437.952 5.381 50 30 IKEARN COc1ccc(C2=C(C(=O)c3ccccc3)[C@H](C)Nc3nc4ccccc4n32)cc1OC ZINC000020569233 523869834 /nfs/dbraw/zinc/86/98/34/523869834.db2.gz GIKIRKWSHMQYFO-INIZCTEOSA-N 0 0 425.488 5.010 50 30 IKEARN CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@@H]2c2cccc(Cl)c2)s1 ZINC000036612231 523876137 /nfs/dbraw/zinc/87/61/37/523876137.db2.gz MAMDDIANZMUKQA-OAHLLOKOSA-N 0 0 438.862 5.270 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000035973801 524006719 /nfs/dbraw/zinc/00/67/19/524006719.db2.gz RUCSBLGADDDLHI-JHACJNOPSA-N 0 0 445.559 5.399 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 ZINC000008926902 524034058 /nfs/dbraw/zinc/03/40/58/524034058.db2.gz FXNBYLPGDWPUPX-IQMFZBJNSA-N 0 0 441.618 5.685 50 30 IKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017747343 524034427 /nfs/dbraw/zinc/03/44/27/524034427.db2.gz JIGZDXOYCFNJHA-ODLFYWEKSA-N 0 0 425.535 5.177 50 30 IKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2OC)cc1 ZINC000012652225 524043625 /nfs/dbraw/zinc/04/36/25/524043625.db2.gz OVALUAZQWTVGQS-NDEPHWFRSA-N 0 0 440.543 5.884 50 30 IKEARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000009631242 524063366 /nfs/dbraw/zinc/06/33/66/524063366.db2.gz QYOMNXBIBKODNW-UHFFFAOYSA-N 0 0 430.529 5.376 50 30 IKEARN CCc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccc(C)cc2)C1=O ZINC000003041364 524066365 /nfs/dbraw/zinc/06/63/65/524066365.db2.gz UMMFCOCAIZSBPS-COOPMVRXSA-N 0 0 442.588 5.103 50 30 IKEARN CCc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2C)C1=O ZINC000003041686 524066380 /nfs/dbraw/zinc/06/63/80/524066380.db2.gz LIGZZNOWZBXPDQ-COOPMVRXSA-N 0 0 442.588 5.103 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1 ZINC000032946176 524071736 /nfs/dbraw/zinc/07/17/36/524071736.db2.gz MYCCBXNBDXDKJW-UHFFFAOYSA-N 0 0 446.982 5.333 50 30 IKEARN COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000008857109 524109820 /nfs/dbraw/zinc/10/98/20/524109820.db2.gz CTIPLYGVRCKMJB-RNVVAPDXSA-N 0 0 431.488 5.157 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2C)cc1 ZINC000008439394 524110404 /nfs/dbraw/zinc/11/04/04/524110404.db2.gz OBYCXPGPWMCKQI-VWLOTQADSA-N 0 0 445.559 5.351 50 30 IKEARN COc1ccc(CO/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000012952076 524110640 /nfs/dbraw/zinc/11/06/40/524110640.db2.gz FYNXQFFDOCMWND-JFLMPSFJSA-N 0 0 448.975 6.740 50 30 IKEARN COc1cccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)c1 ZINC000012888916 524113639 /nfs/dbraw/zinc/11/36/39/524113639.db2.gz KKBDZNJFNMHIIW-FQEVSTJZSA-N 0 0 429.516 5.064 50 30 biogenic IKEARN C[C@H](CCC#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 ZINC000240321614 524114946 /nfs/dbraw/zinc/11/49/46/524114946.db2.gz FARUJJLVHFTRHP-OAHLLOKOSA-N 0 0 437.619 5.954 50 30 IKEARN Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccccc2)c1 ZINC000002417597 524119950 /nfs/dbraw/zinc/11/99/50/524119950.db2.gz ZRRWCRFZUFIQIJ-OAQYLSRUSA-N 0 0 436.515 5.267 50 30 IKEARN Cc1ccc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 ZINC000013575571 524208913 /nfs/dbraw/zinc/20/89/13/524208913.db2.gz OQZASONRRBHPCD-OYUWMTPXSA-N 0 0 429.523 5.588 50 30 IKEARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 ZINC000096931250 524292176 /nfs/dbraw/zinc/29/21/76/524292176.db2.gz OHTXOTIBCSORPK-JTMDUIFQSA-N 0 0 435.549 5.106 50 30 IKEARN COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008836542 524313886 /nfs/dbraw/zinc/31/38/86/524313886.db2.gz RQAYOPCVMZJAMY-PKNBQFBNSA-N 0 0 437.835 5.372 50 30 IKEARN COc1ccccc1/C=C/C=C(/C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 ZINC000009050974 524315519 /nfs/dbraw/zinc/31/55/19/524315519.db2.gz CKAOPUXNKXQXMS-BGJMBHFQSA-N 0 0 439.511 6.603 50 30 IKEARN Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1 ZINC000230187415 524331974 /nfs/dbraw/zinc/33/19/74/524331974.db2.gz YYJOHIQCSCXTOM-OIKPOIBNSA-N 0 0 444.538 5.291 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 ZINC000032916755 524360751 /nfs/dbraw/zinc/36/07/51/524360751.db2.gz UXLQBWYTNXBIJY-RGVLZGJSSA-N 0 0 443.355 6.762 50 30 IKEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000002135124 524363221 /nfs/dbraw/zinc/36/32/21/524363221.db2.gz FCNXREDFYNNIRS-OOHHOYHOSA-N 0 0 440.451 5.238 50 30 biogenic IKEARN COc1ccc(N2C(SC)=N/C(=N\c3ccccc3C)C23CCC(C(C)(C)C)CC3)cc1 ZINC000020805770 524401888 /nfs/dbraw/zinc/40/18/88/524401888.db2.gz LOEPTDISXDYMEV-COOPMVRXSA-N 0 0 449.664 7.248 50 30 IKEARN COc1ccc(N2C(SC)=N/C(=N\c3ccc(Cl)cc3)C23CCC(C)CC3)cc1 ZINC000008445543 524401948 /nfs/dbraw/zinc/40/19/48/524401948.db2.gz JZCBHVKCCIGOQQ-DAFNUICNSA-N 0 0 428.001 6.567 50 30 IKEARN Cc1cc(C)cc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943056 524408785 /nfs/dbraw/zinc/40/87/85/524408785.db2.gz DHGSSJLJYUFOBS-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(Nc3ccccc3F)s2)c1 ZINC000003345871 524409781 /nfs/dbraw/zinc/40/97/81/524409781.db2.gz KXPZDYWWAOSQTO-UHFFFAOYSA-N 0 0 441.557 5.077 50 30 IKEARN Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1 ZINC000021722334 524427795 /nfs/dbraw/zinc/42/77/95/524427795.db2.gz TVHYJLMBXAXXSD-VWLOTQADSA-N 0 0 443.572 6.577 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)cc1 ZINC000020558800 524486074 /nfs/dbraw/zinc/48/60/74/524486074.db2.gz FMXTUEWLEWHGNM-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN COc1ccccc1COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182531 524495245 /nfs/dbraw/zinc/49/52/45/524495245.db2.gz GILGVDMLVJYXSX-QFEZKATASA-N 0 0 425.484 5.691 50 30 IKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2cccc(O)c2)c1 ZINC000013286085 524530890 /nfs/dbraw/zinc/53/08/90/524530890.db2.gz POPSVHWYECIZRI-QDJRPKQISA-N 0 0 445.569 5.879 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000018055282 524580741 /nfs/dbraw/zinc/58/07/41/524580741.db2.gz GCNGHUCAMXSTCS-OAQYLSRUSA-N 0 0 441.453 5.015 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000006407300 524584428 /nfs/dbraw/zinc/58/44/28/524584428.db2.gz NZSJVRGPRFEVNE-DEOSSOPVSA-N 0 0 430.548 5.246 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000006015296 524585867 /nfs/dbraw/zinc/58/58/67/524585867.db2.gz PNVVJAWMSSGWSM-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN Cc1cccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1C ZINC000021722674 524597017 /nfs/dbraw/zinc/59/70/17/524597017.db2.gz YVLTZMSDPDMRNI-MHZLTWQESA-N 0 0 441.531 5.515 50 30 IKEARN Cc1cccc(Nc2nc(N=NCc3ccccc3Cl)nc(N3CCC(C)CC3)n2)c1C ZINC000006443256 524700299 /nfs/dbraw/zinc/70/02/99/524700299.db2.gz HTEIWRFYHAFGCU-CVKSISIWSA-N 0 0 449.990 5.568 50 30 IKEARN COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3)nn21 ZINC000097964553 524747261 /nfs/dbraw/zinc/74/72/61/524747261.db2.gz SLKIPFXXLBNJEZ-JOCHJYFZSA-N 0 0 446.576 5.237 50 30 IKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cccs1 ZINC000000781601 524749667 /nfs/dbraw/zinc/74/96/67/524749667.db2.gz CPBIHIHWHZSILW-FYSMJZIKSA-N 0 0 437.561 5.070 50 30 IKEARN COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1 ZINC000012758468 524802545 /nfs/dbraw/zinc/80/25/45/524802545.db2.gz LCRZPVZAWGOBSF-JXMROGBWSA-N 0 0 436.533 5.358 50 30 IKEARN COc1ccc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 ZINC000096924495 524803642 /nfs/dbraw/zinc/80/36/42/524803642.db2.gz GSRYHTAHKLCQAW-YVMONPNESA-N 0 0 444.459 5.019 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000000717696 524803462 /nfs/dbraw/zinc/80/34/62/524803462.db2.gz UZUXXFJQRCTHNQ-MWTRTKDXSA-N 0 0 437.561 5.070 50 30 IKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2c(c1)OCO2 ZINC000013568665 524804933 /nfs/dbraw/zinc/80/49/33/524804933.db2.gz FRACDMYJQALVPS-CRYYWNKWSA-N 0 0 440.499 5.403 50 30 IKEARN Cc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)c1 ZINC000064775594 524887656 /nfs/dbraw/zinc/88/76/56/524887656.db2.gz ZWXQAHWHZDTBJO-DEOSSOPVSA-N 0 0 440.547 5.410 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1 ZINC000013568520 524894146 /nfs/dbraw/zinc/89/41/46/524894146.db2.gz SYCGTWZEFYLLFC-UTKZUKDTSA-N 0 0 433.548 5.006 50 30 IKEARN Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2C)cc1 ZINC000013285663 524918641 /nfs/dbraw/zinc/91/86/41/524918641.db2.gz SPBFAUGXCXAEJD-SLJQUXCSSA-N 0 0 443.597 6.482 50 30 IKEARN COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000078549524 524977041 /nfs/dbraw/zinc/97/70/41/524977041.db2.gz FEEPHGRPKJSATG-MRXNPFEDSA-N 0 0 443.334 5.051 50 30 IKEARN Cc1ccc(N2N=C(C(=O)c3cccs3)SC2=C2C(=O)c3ccccc3C2=O)cc1 ZINC000008636738 524987444 /nfs/dbraw/zinc/98/74/44/524987444.db2.gz AKZUQHQAKVTRKY-UHFFFAOYSA-N 0 0 430.510 5.097 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2Cl)nc1 ZINC000013319820 525020082 /nfs/dbraw/zinc/02/00/82/525020082.db2.gz UDMMNQOSUANUMY-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C\c2c(F)cccc2Cl)C(=O)N1c1ccccc1C ZINC000002082888 525042428 /nfs/dbraw/zinc/04/24/28/525042428.db2.gz BKUSRCLCTMTBJE-XRKKSIEBSA-N 0 0 436.939 6.905 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1C ZINC000021722340 525151142 /nfs/dbraw/zinc/15/11/42/525151142.db2.gz CPCSBTWPGGDKEM-RUZDIDTESA-N 0 0 443.572 6.577 50 30 IKEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000020647081 525210732 /nfs/dbraw/zinc/21/07/32/525210732.db2.gz ASMRQDHESBTGRW-WIEWCVORSA-N 0 0 432.347 5.793 50 30 IKEARN Cc1ccccc1NN=Cc1sc(=O)n(Cc2ccc(Br)cc2)c1Cl ZINC000013688507 525219484 /nfs/dbraw/zinc/21/94/84/525219484.db2.gz KWXRSGIREHELFM-UFFVCSGVSA-N 0 0 436.762 5.128 50 30 IKEARN COc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c(OC)c1OC ZINC000013218505 525228481 /nfs/dbraw/zinc/22/84/81/525228481.db2.gz UFCRYBCNWONLPH-FQEVSTJZSA-N 0 0 445.515 5.490 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1OC ZINC000000883255 525230770 /nfs/dbraw/zinc/23/07/70/525230770.db2.gz NOHJYOJEXDRYDO-MYUZEXMDSA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1 ZINC000009488026 525231084 /nfs/dbraw/zinc/23/10/84/525231084.db2.gz ODYMRBPZHOQQTA-FNZWTVRRSA-N 0 0 447.534 5.699 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000681875 525231283 /nfs/dbraw/zinc/23/12/83/525231283.db2.gz UNQYSMUMZWEZGU-HFJWLAOPSA-N 0 0 441.487 5.583 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 ZINC000018324595 525232559 /nfs/dbraw/zinc/23/25/59/525232559.db2.gz KFMRSICDARYYBV-PPHZAIPVSA-N 0 0 426.516 5.683 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])o2)cc1 ZINC000009089757 525233661 /nfs/dbraw/zinc/23/36/61/525233661.db2.gz VRGBYQUSAQYZMH-OWJWWREXSA-N 0 0 431.448 5.176 50 30 IKEARN Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021722374 525250792 /nfs/dbraw/zinc/25/07/92/525250792.db2.gz OXCAGMKLVXIXBK-DEOSSOPVSA-N 0 0 429.545 6.269 50 30 IKEARN Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000021722224 525251907 /nfs/dbraw/zinc/25/19/07/525251907.db2.gz DORAZSQIUSYLDV-RUZDIDTESA-N 0 0 441.531 6.437 50 30 IKEARN Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021722376 525252052 /nfs/dbraw/zinc/25/20/52/525252052.db2.gz OXCAGMKLVXIXBK-XMMPIXPASA-N 0 0 429.545 6.269 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O ZINC000009601032 525269449 /nfs/dbraw/zinc/26/94/49/525269449.db2.gz NKJHSBJSERJWFG-DFXYEROKSA-N 0 0 447.534 6.621 50 30 IKEARN COc1ccc([C@@H]2c3sc4c(c3CCN2Cc2ccccc2C#N)CCCC4)cc1OC ZINC000021045889 525280849 /nfs/dbraw/zinc/28/08/49/525280849.db2.gz ZHMYFFHNMLYBPX-AREMUKBSSA-N 0 0 444.600 5.663 50 30 IKEARN COc1ccc([C@@]2(N3CCCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 ZINC000055196350 525285659 /nfs/dbraw/zinc/28/56/59/525285659.db2.gz GCCKQEUVFUTUKS-PMERELPUSA-N 0 0 435.567 6.252 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O ZINC000252512660 525348873 /nfs/dbraw/zinc/34/88/73/525348873.db2.gz UILXPFRZQGQVFT-CWEZVVOXSA-N 0 0 442.546 6.174 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000245241334 525348893 /nfs/dbraw/zinc/34/88/93/525348893.db2.gz ANTLLZHQDMIOLB-ZKDRPRCISA-N 0 0 447.446 6.959 50 30 biogenic IKEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000666739 525387959 /nfs/dbraw/zinc/38/79/59/525387959.db2.gz TZHQCUTUDAQUHL-LVXARBLLSA-N 0 0 445.559 5.256 50 30 IKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000065165009 525394499 /nfs/dbraw/zinc/39/44/99/525394499.db2.gz VVIRSLMAFQMSQF-QFIPXVFZSA-N 0 0 446.576 5.237 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000018143242 525398374 /nfs/dbraw/zinc/39/83/74/525398374.db2.gz GDCZHXZFINBTRP-WXTAPIANSA-N 0 0 430.935 6.328 50 30 IKEARN Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[nH]c1Cc1ccccc1 ZINC000012550615 525413956 /nfs/dbraw/zinc/41/39/56/525413956.db2.gz FHIFBRDJJJMDPX-CQSZACIVSA-N 0 0 436.606 5.098 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)OCc1ccccc1 ZINC000012445216 525445528 /nfs/dbraw/zinc/44/55/28/525445528.db2.gz DJWUJXOFCGPZHH-FQEVSTJZSA-N 0 0 425.315 6.706 50 30 IKEARN COc1ccc([C@]2(N3CCCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 ZINC000055196355 525445846 /nfs/dbraw/zinc/44/58/46/525445846.db2.gz GCCKQEUVFUTUKS-SSEXGKCCSA-N 0 0 435.567 6.252 50 30 IKEARN Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000105726849 525484279 /nfs/dbraw/zinc/48/42/79/525484279.db2.gz WEDSNXWNOUSWQX-OHMGWRBWSA-N 0 0 448.935 5.010 50 30 IKEARN Cc1c(/C(CSc2ccc(Cl)cc2)=N/OCc2ccc(C)cc2)sc2ncnn12 ZINC000012338624 525513779 /nfs/dbraw/zinc/51/37/79/525513779.db2.gz LWSKBUBDWBUGPY-NCELDCMTSA-N 0 0 442.997 5.774 50 30 IKEARN COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000008431159 525532989 /nfs/dbraw/zinc/53/29/89/525532989.db2.gz ZXOVSPPEKNYKJJ-HDURRZNMSA-N 0 0 439.353 5.274 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1c3ccccc3cc3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000009462460 525591566 /nfs/dbraw/zinc/59/15/66/525591566.db2.gz XOJYKUMIUPRRGA-PMERELPUSA-N 0 0 446.594 7.832 50 30 IKEARN COc1ccc2c(c1)oc(C(=O)NCc1cnc(Br)s1)c2-c1ccccc1 ZINC000328591538 525609893 /nfs/dbraw/zinc/60/98/93/525609893.db2.gz YXWHZODBWHDRBL-UHFFFAOYSA-N 0 0 443.322 5.832 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000008413282 525674893 /nfs/dbraw/zinc/67/48/93/525674893.db2.gz VVJIIMFCLMYORP-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2n[nH]c(-c3cccs3)n2)c1C#N ZINC000012778814 525680500 /nfs/dbraw/zinc/68/05/00/525680500.db2.gz DCGQKVRGKBRRRN-UHFFFAOYSA-N 0 0 440.598 5.059 50 30 IKEARN COc1cccc(-c2nc(CSc3nc4ccccc4n3CCC#N)cs2)c1OC ZINC000021332191 525724072 /nfs/dbraw/zinc/72/40/72/525724072.db2.gz DNTJTOIXPKSXQK-UHFFFAOYSA-N 0 0 436.562 5.383 50 30 IKEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 ZINC000012250947 525746083 /nfs/dbraw/zinc/74/60/83/525746083.db2.gz WTACJEOAJDKNFF-UHFFFAOYSA-N 0 0 444.585 5.471 50 30 IKEARN Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)S1 ZINC000009720895 525749850 /nfs/dbraw/zinc/74/98/50/525749850.db2.gz DAWPIDWECXUDLA-XDHOZWIPSA-N 0 0 428.344 5.984 50 30 IKEARN Cc1ccc(-c2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)o2)cc1C ZINC000002137990 525754843 /nfs/dbraw/zinc/75/48/43/525754843.db2.gz VPQBICXEWXSGIE-PMERELPUSA-N 0 0 447.578 8.026 50 30 IKEARN COc1cccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n32)c1OC ZINC000039151948 525770874 /nfs/dbraw/zinc/77/08/74/525770874.db2.gz BXESZVNFNSBGGR-MSUUIHNZSA-N 0 0 437.499 5.406 50 30 IKEARN COc1cccc(/C=N\c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O ZINC000014406266 525777409 /nfs/dbraw/zinc/77/74/09/525777409.db2.gz BUQGKAQAPLIGJV-QFEZKATASA-N 0 0 445.500 6.159 50 30 IKEARN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4cccc(Cl)c4)cc3)n2)cc1 ZINC000014257490 525780745 /nfs/dbraw/zinc/78/07/45/525780745.db2.gz GLVYJESJHVTGDT-VULFUBBASA-N 0 0 447.947 6.437 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000844370 525787829 /nfs/dbraw/zinc/78/78/29/525787829.db2.gz AAZBNMRMPZSCQJ-RUZDIDTESA-N 0 0 429.560 5.385 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 ZINC000002151319 525790283 /nfs/dbraw/zinc/79/02/83/525790283.db2.gz DGRQHEBQMCKXCC-VWLOTQADSA-N 0 0 434.539 5.659 50 30 IKEARN Cc1ccsc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000008990379 525817149 /nfs/dbraw/zinc/81/71/49/525817149.db2.gz JRINUCJPJLYVPP-WQRHYEAKSA-N 0 0 432.906 5.094 50 30 IKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)ccc3o2)cc1 ZINC000002186558 525822982 /nfs/dbraw/zinc/82/29/82/525822982.db2.gz JDBFIODEXNKCJN-CCVNUDIWSA-N 0 0 447.321 8.121 50 30 IKEARN COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)c1 ZINC000008926455 525840479 /nfs/dbraw/zinc/84/04/79/525840479.db2.gz OLBCKYDERUTZPG-CYXNTTPDSA-N 0 0 449.485 5.119 50 30 IKEARN COc1cccc(CNC(Nc2ccc(C(=O)[O-])cc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)c1 ZINC000065304885 525848044 /nfs/dbraw/zinc/84/80/44/525848044.db2.gz PUFCJBWIXGSCTL-UHFFFAOYSA-N 0 0 447.579 5.168 50 30 IKEARN Cc1c(O)ccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1O ZINC000016677620 525879385 /nfs/dbraw/zinc/87/93/85/525879385.db2.gz UQMRCWXEQOSUKE-WYMPLXKRSA-N 0 0 449.308 5.225 50 30 IKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C/c2ccccc2)COC(C)(C)C4)cc1 ZINC000036077383 525894250 /nfs/dbraw/zinc/89/42/50/525894250.db2.gz JVVBGAUUMSLVNP-VULFUBBASA-N 0 0 444.560 5.053 50 30 IKEARN Cc1ccc(-n2c(SCc3cn4ccccc4c3C#N)nc3ccccc3c2=O)cc1F ZINC000014801911 525900937 /nfs/dbraw/zinc/90/09/37/525900937.db2.gz NPPBVOWZEALZRU-UHFFFAOYSA-N 0 0 440.503 5.250 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 ZINC000253498506 525914403 /nfs/dbraw/zinc/91/44/03/525914403.db2.gz BKFIBDWKIPCPQA-YKLNZBLLSA-N 0 0 441.597 5.755 50 30 IKEARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000049574102 525967683 /nfs/dbraw/zinc/96/76/83/525967683.db2.gz HUZVKOFPDNLRPL-HSZRJFAPSA-N 0 0 427.479 5.056 50 30 IKEARN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000328591507 525977887 /nfs/dbraw/zinc/97/78/87/525977887.db2.gz NOJSUQRFZNVUIH-HJPURHCSSA-N 0 0 428.454 6.272 50 30 IKEARN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000328591508 525977979 /nfs/dbraw/zinc/97/79/79/525977979.db2.gz NOJSUQRFZNVUIH-MWTRTKDXSA-N 0 0 428.454 6.272 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nn32)cc1 ZINC000020850011 525986641 /nfs/dbraw/zinc/98/66/41/525986641.db2.gz UXZRGWIVQOCFRW-QHCPKHFHSA-N 0 0 444.604 5.845 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000864454 526024918 /nfs/dbraw/zinc/02/49/18/526024918.db2.gz XLTUYEOKLDGWRD-OXQOHEQNSA-N 0 0 446.330 5.059 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000864453 526025225 /nfs/dbraw/zinc/02/52/25/526025225.db2.gz XLTUYEOKLDGWRD-UZLBHIALSA-N 0 0 446.330 5.059 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1F ZINC000009472404 526028337 /nfs/dbraw/zinc/02/83/37/526028337.db2.gz PLILWHSEBIIFHH-FQEVSTJZSA-N 0 0 425.843 5.159 50 30 IKEARN Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000008857097 526034019 /nfs/dbraw/zinc/03/40/19/526034019.db2.gz OCXRYRIXDALDHC-VBSVLOKRSA-N 0 0 442.317 6.806 50 30 IKEARN Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000036556583 526044904 /nfs/dbraw/zinc/04/49/04/526044904.db2.gz OJPIWRXLXMPYGY-NXCFDTQHSA-N 0 0 438.527 5.117 50 30 IKEARN COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)c1 ZINC000002130912 526062202 /nfs/dbraw/zinc/06/22/02/526062202.db2.gz KLOVVVTVQKMDMX-IOFNULOHSA-N 0 0 426.468 5.598 50 30 biogenic IKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000027520697 526090287 /nfs/dbraw/zinc/09/02/87/526090287.db2.gz WVSGKKHBDQIDEU-XKZIYDEJSA-N 0 0 435.980 6.256 50 30 IKEARN Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000002305462 526091258 /nfs/dbraw/zinc/09/12/58/526091258.db2.gz ODEYDXCZDABXND-OYKKKHCWSA-N 0 0 429.589 6.219 50 30 IKEARN COc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984414 526142074 /nfs/dbraw/zinc/14/20/74/526142074.db2.gz SOPIDXSAMDZJFX-UHFFFAOYSA-N 0 0 437.492 5.101 50 30 IKEARN Cc1ccc2cc(CN=Nc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc2c1 ZINC000009345079 526224210 /nfs/dbraw/zinc/22/42/10/526224210.db2.gz LFHDFAJBDCQQEU-LUOAPIJWSA-N 0 0 429.936 6.314 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000036611324 526226634 /nfs/dbraw/zinc/22/66/34/526226634.db2.gz WXHHTZMORISANW-LSHDLFTRSA-N 0 0 449.319 5.621 50 30 IKEARN Cc1ccc(C(=O)Nc2sc(N=NCc3cccc(O)c3)nc2-c2ccc(F)cc2)cc1 ZINC000040221137 526230320 /nfs/dbraw/zinc/23/03/20/526230320.db2.gz RGIDEJKULFDTHR-VULFUBBASA-N 0 0 446.507 5.662 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009241267 526269323 /nfs/dbraw/zinc/26/93/23/526269323.db2.gz GRPZPOJIPMCRJD-HXUWFJFHSA-N 0 0 439.298 5.167 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009993312 526269981 /nfs/dbraw/zinc/26/99/81/526269981.db2.gz ISYJWWGJKBBYDV-FQEVSTJZSA-N 0 0 430.460 5.218 50 30 IKEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1 ZINC000012749615 526276921 /nfs/dbraw/zinc/27/69/21/526276921.db2.gz OZDWSTFPUUGINI-UHFFFAOYSA-N 0 0 432.593 5.753 50 30 IKEARN Fc1c(F)c(F)c(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(F)c1F ZINC000013303703 526291698 /nfs/dbraw/zinc/29/16/98/526291698.db2.gz YVEFTAVSQOUNHO-XKJRVUDJSA-N 0 0 440.375 5.952 50 30 IKEARN Fc1c(F)c(F)c(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(F)c1F ZINC000023549845 526291892 /nfs/dbraw/zinc/29/18/92/526291892.db2.gz DSKYIAADLLHCJW-IPBVOBEMSA-N 0 0 441.363 5.347 50 30 IKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000036245406 526292358 /nfs/dbraw/zinc/29/23/58/526292358.db2.gz LLOJMQJODMHCLP-FEDGQQDLSA-N 0 0 436.714 6.621 50 30 IKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C\c1cc2ccccc2nc1N1CCCCC1 ZINC000096925878 526315335 /nfs/dbraw/zinc/31/53/35/526315335.db2.gz LYBFHVUFWQIZMB-PFONDFGASA-N 0 0 449.558 5.569 50 30 IKEARN Fc1ccc(Br)cc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000066088698 526325020 /nfs/dbraw/zinc/32/50/20/526325020.db2.gz YUQSGCSWISKEAA-GEVRCRHISA-N 0 0 430.026 6.360 50 30 IKEARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(Cl)cc1)cc3NC1CCCCC1 ZINC000013196185 526331941 /nfs/dbraw/zinc/33/19/41/526331941.db2.gz YLHISJNLEAUPRF-VFCFBJKWSA-N 0 0 443.934 6.738 50 30 IKEARN Oc1ccc(Br)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004290264 526342078 /nfs/dbraw/zinc/34/20/78/526342078.db2.gz FUFSFVAKTXNFQT-IFRROFPPSA-N 0 0 443.153 6.031 50 30 IKEARN Oc1ccc(Cl)cc1/C=N/c1ccc(Sc2ccccc2)nc1Sc1ccccc1 ZINC000012369282 526346709 /nfs/dbraw/zinc/34/67/09/526346709.db2.gz FWSSKZRWFSIDML-WGOQTCKBSA-N 0 0 449.000 7.494 50 30 IKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000095471419 526353933 /nfs/dbraw/zinc/35/39/33/526353933.db2.gz ZZRNSWCMOYMPER-OPEKNORGSA-N 0 0 439.422 5.481 50 30 IKEARN Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@@H]12 ZINC000013381956 526370476 /nfs/dbraw/zinc/37/04/76/526370476.db2.gz PPJFANUQDXSZTQ-JHISGHLCSA-N 0 0 426.516 5.656 50 30 IKEARN O=C([O-])c1ccc(NC(NCCc2ccccc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065304882 526372062 /nfs/dbraw/zinc/37/20/62/526372062.db2.gz QJOXCQIISNGEIT-UHFFFAOYSA-N 0 0 431.580 5.201 50 30 IKEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000020617928 526389478 /nfs/dbraw/zinc/38/94/78/526389478.db2.gz SQQAKIHQSHVXGW-ZVBGSRNCSA-N 0 0 435.292 5.188 50 30 IKEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000020617934 526389977 /nfs/dbraw/zinc/38/99/77/526389977.db2.gz WHJUXPWJZGURKU-ZVBGSRNCSA-N 0 0 435.292 5.188 50 30 IKEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000020617912 526390035 /nfs/dbraw/zinc/39/00/35/526390035.db2.gz CKTDDALBOXHIIJ-ZVBGSRNCSA-N 0 0 435.292 5.188 50 30 IKEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000020617949 526390244 /nfs/dbraw/zinc/39/02/44/526390244.db2.gz QNBGBMPQDRWLHJ-ZVBGSRNCSA-N 0 0 435.292 5.188 50 30 IKEARN O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1sc2ccccc2c1Cl ZINC000002184300 526416355 /nfs/dbraw/zinc/41/63/55/526416355.db2.gz APYSAELTYBRNRZ-UHFFFAOYSA-N 0 0 440.933 5.557 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000013563179 526429153 /nfs/dbraw/zinc/42/91/53/526429153.db2.gz AKIZFOBIXPHFNG-GVAUOCQISA-N 0 0 435.914 5.624 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 ZINC000016034235 526429678 /nfs/dbraw/zinc/42/96/78/526429678.db2.gz OXCIYJZVMDHYKH-VXNXHJTFSA-N 0 0 436.902 5.019 50 30 IKEARN N#CCCN(C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2)c1ccccc1 ZINC000006190266 526451050 /nfs/dbraw/zinc/45/10/50/526451050.db2.gz UQCAEUADGDICBS-UHFFFAOYSA-N 0 0 442.544 5.131 50 30 IKEARN N#CCCN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1 ZINC000002625268 526452463 /nfs/dbraw/zinc/45/24/63/526452463.db2.gz WXAFOPCKWSYWJM-UHFFFAOYSA-N 0 0 430.558 5.397 50 30 IKEARN N#CCCN(Cc1ccco1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000058214645 526457939 /nfs/dbraw/zinc/45/79/39/526457939.db2.gz AOOFRMRPQAWUIK-CCEZHUSRSA-N 0 0 436.515 5.147 50 30 IKEARN c1ccc(-c2nc(N=NC(c3ccccc3)c3ccccc3)sc2-c2ccccc2)cc1 ZINC000013302866 526460760 /nfs/dbraw/zinc/46/07/60/526460760.db2.gz QJMHXEBAENCNNB-UHFFFAOYSA-N 0 0 431.564 7.342 50 30 IKEARN N#CCCSc1sc(=S)sc1SCc1c(F)c(F)c(F)c(F)c1F ZINC000027552236 526463184 /nfs/dbraw/zinc/46/31/84/526463184.db2.gz AYWVJAHBIKPEDF-UHFFFAOYSA-N 0 0 431.523 6.533 50 30 IKEARN N#CCCn1cc(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)c2ccccc21 ZINC000072284612 526465779 /nfs/dbraw/zinc/46/57/79/526465779.db2.gz SKLAAAIRSDVMMO-UHFFFAOYSA-N 0 0 440.572 5.878 50 30 IKEARN N#CCCn1cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)c2ccccc21 ZINC000009349355 526465881 /nfs/dbraw/zinc/46/58/81/526465881.db2.gz PBLDJAUKUCQIBG-UHFFFAOYSA-N 0 0 440.450 5.492 50 30 IKEARN N#CCCn1cc(/C=C\C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 ZINC000096578747 526466892 /nfs/dbraw/zinc/46/68/92/526466892.db2.gz VLEYJOXJXIIDKX-CBUFDYBVSA-N 0 0 440.572 5.584 50 30 IKEARN N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000012679138 526477474 /nfs/dbraw/zinc/47/74/74/526477474.db2.gz CLDAPYQAJOSBJS-NRFANRHFSA-N 0 0 425.604 5.011 50 30 IKEARN N#CCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1 ZINC000009223481 526477929 /nfs/dbraw/zinc/47/79/29/526477929.db2.gz DIEBXXAYCIOMJN-UHFFFAOYSA-N 0 0 433.499 6.318 50 30 IKEARN N#CCSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000013132185 526478771 /nfs/dbraw/zinc/47/87/71/526478771.db2.gz IAVKZJGIXBUBAN-UHFFFAOYSA-N 0 0 436.920 5.204 50 30 IKEARN N#C[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000049722795 526496471 /nfs/dbraw/zinc/49/64/71/526496471.db2.gz HSDUHHRMMLNVIQ-LBPRGKRZSA-N 0 0 449.276 6.342 50 30 IKEARN N#Cc1c(SC/C=C\c2ccccc2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000035239767 526530104 /nfs/dbraw/zinc/53/01/04/526530104.db2.gz RFQOJYVERUCWIM-YWEYNIOJSA-N 0 0 445.012 7.808 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)nc2)nsc1SCc1ccc(Cl)nc1 ZINC000012374858 526530885 /nfs/dbraw/zinc/53/08/85/526530885.db2.gz FOMWYTMIXIIIOB-UHFFFAOYSA-N 0 0 425.391 5.696 50 30 IKEARN O=C(c1cc(Br)cc(Br)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC000039957478 526600205 /nfs/dbraw/zinc/60/02/05/526600205.db2.gz WYVCRFJVDBZRMR-UHFFFAOYSA-N 0 0 431.927 5.227 50 30 IKEARN N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)cc1 ZINC000012882671 526613166 /nfs/dbraw/zinc/61/31/66/526613166.db2.gz ULJKHIFCZNJIFZ-UHFFFAOYSA-N 0 0 440.330 5.083 50 30 IKEARN N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000009544327 526631698 /nfs/dbraw/zinc/63/16/98/526631698.db2.gz NLYJXOFMYWTIKH-UHFFFAOYSA-N 0 0 427.529 5.230 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051614 526675386 /nfs/dbraw/zinc/67/53/86/526675386.db2.gz HYLJVUKIDKABHT-IIBYNOLFSA-N 0 0 435.321 5.704 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)c1ccc(Br)s1 ZINC000012685312 526733524 /nfs/dbraw/zinc/73/35/24/526733524.db2.gz KRJZLDCNWYASNJ-UHFFFAOYSA-N 0 0 426.291 5.089 50 30 IKEARN N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000012808450 526734192 /nfs/dbraw/zinc/73/41/92/526734192.db2.gz BYFXTCGPAMTNDW-UHFFFAOYSA-N 0 0 448.345 6.330 50 30 IKEARN N#Cc1cccnc1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000012741966 526755764 /nfs/dbraw/zinc/75/57/64/526755764.db2.gz WQSKPSLBMSEYEM-UHFFFAOYSA-N 0 0 438.343 5.718 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cc(F)ccc1F ZINC000021722706 526827292 /nfs/dbraw/zinc/82/72/92/526827292.db2.gz SALLTGFYYHQWOM-RUZDIDTESA-N 0 0 449.457 5.177 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NCc1cccs1 ZINC000021722014 526827429 /nfs/dbraw/zinc/82/74/29/526827429.db2.gz OYIXWMWGAKURDO-XMMPIXPASA-N 0 0 449.601 5.106 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(Cl)c1 ZINC000020503313 526827555 /nfs/dbraw/zinc/82/75/55/526827555.db2.gz GVCOSNNIEQJSJB-VWLOTQADSA-N 0 0 447.922 5.552 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccc(F)cc1 ZINC000020503277 526827665 /nfs/dbraw/zinc/82/76/65/526827665.db2.gz WELQRRHHIWMLIL-RUZDIDTESA-N 0 0 431.467 5.038 50 30 IKEARN Clc1cc(Cl)c(NN=C2c3ccccc3N=C2SCc2ccccc2)c(Cl)c1 ZINC000012960109 526928272 /nfs/dbraw/zinc/92/82/72/526928272.db2.gz LKLZISKBWBHKLX-XHPQRKPJSA-N 0 0 446.790 7.440 50 30 IKEARN Clc1ccc(-c2csc(N=NCc3ccccc3Br)n2)c(Cl)c1 ZINC000031854533 526934783 /nfs/dbraw/zinc/93/47/83/526934783.db2.gz NSZZMAWGLFMJOS-ZBKNUEDVSA-N 0 0 427.154 6.325 50 30 IKEARN O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000008826726 526938554 /nfs/dbraw/zinc/93/85/54/526938554.db2.gz DZJPWZNHDUOBSF-SOMGSRHFSA-N 0 0 425.340 6.802 50 30 IKEARN O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C/c1ccc(Br)cc1 ZINC000001622718 526939801 /nfs/dbraw/zinc/93/98/01/526939801.db2.gz HXRSOYCNABLYMF-RFTYBOQRSA-N 0 0 432.155 6.432 50 30 IKEARN O=C1/C(=C/c2ccc(N3CCCC3)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000000980391 526941696 /nfs/dbraw/zinc/94/16/96/526941696.db2.gz SGHLRBWIKNDLHE-PFMNSIPKSA-N 0 0 429.545 5.684 50 30 IKEARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2c(cc1F)NC(=O)CC2 ZINC000069351659 526943430 /nfs/dbraw/zinc/94/34/30/526943430.db2.gz HUPZVTKHYISIMX-UHFFFAOYSA-N 0 0 435.295 5.010 50 30 IKEARN Clc1ccc(Cl)c(N=C2NC(=Nc3cc(Cl)ccc3Cl)c3ccccc32)c1 ZINC000013303574 526952672 /nfs/dbraw/zinc/95/26/72/526952672.db2.gz FPDNVSWHHYEFOA-UHFFFAOYSA-N 0 0 435.141 7.060 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000102752277 526955753 /nfs/dbraw/zinc/95/57/53/526955753.db2.gz OQOWORRFRKYSAD-HOGKFDNTSA-N 0 0 444.874 5.103 50 30 IKEARN O=C1C=C2C(=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 ZINC000013583076 526960880 /nfs/dbraw/zinc/96/08/80/526960880.db2.gz WCSNDIBBXOJAOR-LNFMTQTQSA-N 0 0 442.562 6.597 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@H](c3cccc(Cl)c3)C12 ZINC000020135534 526968076 /nfs/dbraw/zinc/96/80/76/526968076.db2.gz XRIFHMCNQUKSLS-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@H](c3cccs3)C12 ZINC000009608556 526968815 /nfs/dbraw/zinc/96/88/15/526968815.db2.gz IVRVANVSQNUEOW-GOSISDBHSA-N 0 0 428.970 5.307 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1nnc(SCc2ccccc2)s1 ZINC000001446024 526969199 /nfs/dbraw/zinc/96/91/99/526969199.db2.gz NYAUVVODFAMQDT-SFHVURJKSA-N 0 0 447.585 5.358 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@@H](c3cccs3)C12 ZINC000009608560 526969912 /nfs/dbraw/zinc/96/99/12/526969912.db2.gz IVRVANVSQNUEOW-SFHVURJKSA-N 0 0 428.970 5.307 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3cccc(F)c3)C12 ZINC000001283582 526969928 /nfs/dbraw/zinc/96/99/28/526969928.db2.gz PLNBLLCZNYBXKP-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)sc1SCC#N ZINC000048365017 526990969 /nfs/dbraw/zinc/99/09/69/526990969.db2.gz XZOHZGAZPKYVEM-UHFFFAOYSA-N 0 0 448.577 5.312 50 30 IKEARN Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C ZINC000012520127 527023370 /nfs/dbraw/zinc/02/33/70/527023370.db2.gz HFMWTEOTWVTYJJ-VOLNOZNDSA-N 0 0 439.625 5.040 50 30 IKEARN Cn1c(=O)c(C(=O)/C=C\c2nc3ccccc3[nH]2)c(-c2ccccc2)c2ccc(Cl)cc21 ZINC000096055667 527023656 /nfs/dbraw/zinc/02/36/56/527023656.db2.gz ZAPGQGLSZPGISM-YPKPFQOOSA-N 0 0 439.902 5.631 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000710781 527023893 /nfs/dbraw/zinc/02/38/93/527023893.db2.gz WUMXPTFQJQQTPD-WNSKOXEYSA-N 0 0 440.490 6.746 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1c[nH]c3ccccc31)Nc1ccccc1N2 ZINC000000861251 527031280 /nfs/dbraw/zinc/03/12/80/527031280.db2.gz SSPBPHSKZQHDGD-CRYYWNKWSA-N 0 0 439.946 6.801 50 30 IKEARN O=C1C[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560031 527032039 /nfs/dbraw/zinc/03/20/39/527032039.db2.gz ZUWADTXKBCRFAB-CZUORRHYSA-N 0 0 430.729 5.107 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 ZINC000000709465 527032539 /nfs/dbraw/zinc/03/25/39/527032539.db2.gz KFDGLDPNDVLWLR-CPJLOUKISA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000009601023 527032707 /nfs/dbraw/zinc/03/27/07/527032707.db2.gz YDSDGVVXZWVWDR-IIMAJNMQSA-N 0 0 445.518 6.636 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 ZINC000001080234 527032730 /nfs/dbraw/zinc/03/27/30/527032730.db2.gz LPASXEOEVJVMQJ-XHCCPWGMSA-N 0 0 446.506 5.922 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000018195188 527033673 /nfs/dbraw/zinc/03/36/73/527033673.db2.gz XMGNDLKGRYGTTB-SGANQWHYSA-N 0 0 440.524 5.834 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000009261300 527041955 /nfs/dbraw/zinc/04/19/55/527041955.db2.gz DTGOSLVVQYMMSV-FYJGNVAPSA-N 0 0 438.911 5.950 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000009261304 527042149 /nfs/dbraw/zinc/04/21/49/527042149.db2.gz ZRKMNFJXMHXVJI-FYJGNVAPSA-N 0 0 438.911 5.950 50 30 IKEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(OC2CCCC2)c1 ZINC000035211372 527043838 /nfs/dbraw/zinc/04/38/38/527043838.db2.gz YFKHYGLIMXDITI-XDHOZWIPSA-N 0 0 432.467 5.918 50 30 IKEARN O=C1Nc2ccccc2C12C/C(=C\c1ccc(F)cc1)C(=O)/C(=C/c1ccc(F)cc1)C2 ZINC000040146066 527091086 /nfs/dbraw/zinc/09/10/86/527091086.db2.gz LRJRMZRQLYDBFT-IWGRKNQJSA-N 0 0 427.450 5.685 50 30 IKEARN O=C1[C@@H](c2ccccc2)S/C(=N/N=C/c2ccco2)N1c1cccc(C(F)(F)F)c1 ZINC000015931762 527108855 /nfs/dbraw/zinc/10/88/55/527108855.db2.gz XRBJQNHZTSZWOT-QFXIWQKKSA-N 0 0 429.423 5.510 50 30 IKEARN O=C1c2ccc3c(c2O/C1=C/c1ccc(-c2ccccc2)cc1)CN(C1CCCCC1)CO3 ZINC000041660875 527124172 /nfs/dbraw/zinc/12/41/72/527124172.db2.gz UYJCFJNWGIPQSF-WPWMEQJKSA-N 0 0 437.539 6.454 50 30 IKEARN O=C1c2ccccc2C(=O)c2c(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cccc21 ZINC000059727781 527131389 /nfs/dbraw/zinc/13/13/89/527131389.db2.gz MOBZFNZUNCSCPG-UHFFFAOYSA-N 0 0 438.270 5.012 50 30 IKEARN O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1cccc(C(F)(F)F)c1 ZINC000008837336 527132187 /nfs/dbraw/zinc/13/21/87/527132187.db2.gz ABOLGBHLVHOMKP-DIBXZPPDSA-N 0 0 434.377 5.303 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc3c(c1)OCO3)N=C(SCc1cccc(F)c1)N2 ZINC000012961045 527132616 /nfs/dbraw/zinc/13/26/16/527132616.db2.gz CCTSFIVBCFLRCI-JOCHJYFZSA-N 0 0 444.487 5.096 50 30 IKEARN O=C1c2sccc2N(Cc2ccc(F)cc2)S(=O)(=O)C1=CNc1ccc(Cl)cc1 ZINC000020575778 527138865 /nfs/dbraw/zinc/13/88/65/527138865.db2.gz VGDVAEUDLMEFMW-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033385550 527139809 /nfs/dbraw/zinc/13/98/09/527139809.db2.gz ALOTVNMXXHAMKK-XFFZJAGNSA-N 0 0 427.887 6.488 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000059727724 527177821 /nfs/dbraw/zinc/17/78/21/527177821.db2.gz OKSJHBZCBRVCAE-UHFFFAOYSA-N 0 0 435.620 5.177 50 30 IKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000059620663 527239902 /nfs/dbraw/zinc/23/99/02/527239902.db2.gz QGRJNRBMBXWRCT-UHFFFAOYSA-N 0 0 432.242 6.267 50 30 IKEARN O=S(=O)(c1ccc(/N=C/c2ccc(Br)s2)cc1)N1CCc2ccccc21 ZINC000012377452 527267726 /nfs/dbraw/zinc/26/77/26/527267726.db2.gz MQTZRKUSQRKYDA-FYJGNVAPSA-N 0 0 447.379 5.013 50 30 IKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F ZINC000095696325 527332284 /nfs/dbraw/zinc/33/22/84/527332284.db2.gz QGWITWSFJTYWMK-UHFFFAOYSA-N 0 0 442.241 5.038 50 30 IKEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000031854473 527342859 /nfs/dbraw/zinc/34/28/59/527342859.db2.gz CFNGKKCRNCPLCQ-OYKKKHCWSA-N 0 0 430.489 5.743 50 30 IKEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)c(Cl)c1 ZINC000025693517 527345390 /nfs/dbraw/zinc/34/53/90/527345390.db2.gz PBVKJILOCKCHAT-ASIDMNOUSA-N 0 0 443.246 6.311 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]23)cc1 ZINC000008762842 527353198 /nfs/dbraw/zinc/35/31/98/527353198.db2.gz LRZMINYCHKGPFT-CBGPCMNSSA-N 0 0 443.503 5.829 50 30 IKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)c1 ZINC000013108368 527354503 /nfs/dbraw/zinc/35/45/03/527354503.db2.gz LNQWIURCBDNZKW-ZMOGYAJESA-N 0 0 432.823 6.167 50 30 IKEARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000040059528 527364251 /nfs/dbraw/zinc/36/42/51/527364251.db2.gz KAGBTJREXDNDND-UHFFFAOYSA-N 0 0 433.283 5.181 50 30 IKEARN Nc1c(-c2ccc(F)cc2)cnn1-c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000008781448 527423406 /nfs/dbraw/zinc/42/34/06/527423406.db2.gz TZBCZPYYCWLMSF-UHFFFAOYSA-N 0 0 441.310 5.241 50 30 IKEARN O=[S@](c1ccc(Cl)cc1)c1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cn1 ZINC000012958191 527431751 /nfs/dbraw/zinc/43/17/51/527431751.db2.gz SDWYPPGZQZCWFS-YNRVIZAUSA-N 0 0 439.751 5.759 50 30 IKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1)C(F)(F)F ZINC000004199803 527448883 /nfs/dbraw/zinc/44/88/83/527448883.db2.gz WDXYBELJSVHFQV-ASSNKEHSSA-N 0 0 442.393 5.336 50 30 IKEARN OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000013497283 527505810 /nfs/dbraw/zinc/50/58/10/527505810.db2.gz BSFRKOHOTRBBTD-UHFFFAOYSA-N 0 0 430.617 5.163 50 30 IKEARN O=C(NC1CCCCC1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 ZINC000008451586 527516436 /nfs/dbraw/zinc/51/64/36/527516436.db2.gz XHJRXSMLTWHYRJ-MXAYSNPKSA-N 0 0 435.420 6.747 50 30 IKEARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2 ZINC000014361053 527535250 /nfs/dbraw/zinc/53/52/50/527535250.db2.gz RNKKQICEWXXNSW-HSZRJFAPSA-N 0 0 447.922 5.170 50 30 IKEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl ZINC000002319638 527548027 /nfs/dbraw/zinc/54/80/27/527548027.db2.gz XUEOISDLKKWHFS-LSHDLFTRSA-N 0 0 438.771 5.461 50 30 IKEARN Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000012583716 527564460 /nfs/dbraw/zinc/56/44/60/527564460.db2.gz RAPDFXNYVICRSI-OAQYLSRUSA-N 0 0 441.428 5.903 50 30 IKEARN O/N=C(\c1ccccc1)[C@@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1 ZINC000071767273 527590263 /nfs/dbraw/zinc/59/02/63/527590263.db2.gz SCLPXTHLYLDYNO-QMMFTLRZSA-N 0 0 431.535 7.139 50 30 IKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000012957282 527608249 /nfs/dbraw/zinc/60/82/49/527608249.db2.gz AAXBJIIEUWCKJE-XCVCLJGOSA-N 0 0 438.232 7.096 50 30 IKEARN O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Br)cc1 ZINC000008809360 527616297 /nfs/dbraw/zinc/61/62/97/527616297.db2.gz JEWPSEJNRQZJKS-VGOFMYFVSA-N 0 0 441.708 6.218 50 30 IKEARN O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000015978847 527618082 /nfs/dbraw/zinc/61/80/82/527618082.db2.gz MWWMRRUDDGMJNC-FNORWQNLSA-N 0 0 431.395 5.451 50 30 IKEARN O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 ZINC000012961449 527618508 /nfs/dbraw/zinc/61/85/08/527618508.db2.gz QCNGOEYXOVVEBX-FRKPEAEDSA-N 0 0 448.927 6.157 50 30 IKEARN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013129870 527624797 /nfs/dbraw/zinc/62/47/97/527624797.db2.gz ATUJQIZTTRXGNN-JLHYYAGUSA-N 0 0 438.376 5.454 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1 ZINC000012558352 527646637 /nfs/dbraw/zinc/64/66/37/527646637.db2.gz FKKHBJNVBVBWFN-DTQAZKPQSA-N 0 0 429.317 6.198 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014361559 527646871 /nfs/dbraw/zinc/64/68/71/527646871.db2.gz ACIAWZFLGKHZSD-PKNBQFBNSA-N 0 0 430.851 5.392 50 30 IKEARN O=C(Cc1nc2ccc(Br)cc2[nH]c1=O)c1ccc(OCc2ccccc2)cc1 ZINC000077024243 527651630 /nfs/dbraw/zinc/65/16/30/527651630.db2.gz ONJIMWJIBHGDJD-FYJGNVAPSA-N 0 0 449.304 5.159 50 30 IKEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)CCCOc1ccc(Cl)cc1Cl ZINC000013591284 527652742 /nfs/dbraw/zinc/65/27/42/527652742.db2.gz IARRSMQUTGESDU-MOSHPQCFSA-N 0 0 448.346 5.070 50 30 IKEARN O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000035419028 527655983 /nfs/dbraw/zinc/65/59/83/527655983.db2.gz KZNNSZCBXBIFRV-WAPJZHGLSA-N 0 0 429.404 5.034 50 30 IKEARN O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000096126335 527656460 /nfs/dbraw/zinc/65/64/60/527656460.db2.gz OCBAMWUIDNQYKH-YPKPFQOOSA-N 0 0 444.918 5.615 50 30 IKEARN O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000035131161 527656619 /nfs/dbraw/zinc/65/66/19/527656619.db2.gz UQROHMZONSZAES-JYRVWZFOSA-N 0 0 437.483 5.166 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000064624382 527661890 /nfs/dbraw/zinc/66/18/90/527661890.db2.gz YVBBRRALBYAZBM-UHFFFAOYSA-N 0 0 438.052 5.923 50 30 in-vitro IKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cccc(C)n2)CC1 ZINC000008744147 535078011 /nfs/dbraw/zinc/07/80/11/535078011.db2.gz XNWNLMZAHUEURC-UHFFFAOYSA-N 0 0 438.579 5.040 50 30 IKEARN COCc1cc(C)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c1C#N ZINC000006177751 536704084 /nfs/dbraw/zinc/70/40/84/536704084.db2.gz VLPVULZMXYSSSI-UHFFFAOYSA-N 0 0 433.558 5.330 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000000626981 555513089 /nfs/dbraw/zinc/51/30/89/555513089.db2.gz QLGIRFMZNCMVCP-VWLOTQADSA-N 0 0 445.559 5.433 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccc(Cl)c2)o1 ZINC000000629447 555513990 /nfs/dbraw/zinc/51/39/90/555513990.db2.gz LXXKLEOGXROZHW-UHFFFAOYSA-N 0 0 449.978 6.573 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000630126 555514342 /nfs/dbraw/zinc/51/43/42/555514342.db2.gz YWAXPUVZPSJNGK-MYUZEXMDSA-N 0 0 440.499 5.403 50 30 IKEARN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000631016 555514837 /nfs/dbraw/zinc/51/48/37/555514837.db2.gz VFLLVJXBOMJHSF-VWLOTQADSA-N 0 0 434.536 5.459 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccccc1F ZINC000000649723 555522417 /nfs/dbraw/zinc/52/24/17/555522417.db2.gz KGDSYAUFSTYSMI-AREMUKBSSA-N 0 0 440.518 6.283 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C ZINC000000650592 555522666 /nfs/dbraw/zinc/52/26/66/555522666.db2.gz RDMVENMIXQUDIF-VWLOTQADSA-N 0 0 446.547 5.089 50 30 IKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)ccc1OC ZINC000000657450 555525471 /nfs/dbraw/zinc/52/54/71/555525471.db2.gz VYQIXMZMGFKXQF-UHFFFAOYSA-N 0 0 437.580 5.409 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc21 ZINC000000666956 555528935 /nfs/dbraw/zinc/52/89/35/555528935.db2.gz XQSQMDZQANDGKB-IDISGSTGSA-N 0 0 437.539 5.765 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc21 ZINC000000666963 555528955 /nfs/dbraw/zinc/52/89/55/555528955.db2.gz XQSQMDZQANDGKB-ZBLYBZFDSA-N 0 0 437.539 5.765 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000666744 555528972 /nfs/dbraw/zinc/52/89/72/555528972.db2.gz PPJAPMPUIWUORI-CJFMBICVSA-N 0 0 449.978 5.901 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000000668288 555529626 /nfs/dbraw/zinc/52/96/26/555529626.db2.gz SSFNBGIQQXYZPA-AREMUKBSSA-N 0 0 432.564 6.027 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl ZINC000000668372 555529897 /nfs/dbraw/zinc/52/98/97/555529897.db2.gz BWBNFUAXBGAFBL-QHCPKHFHSA-N 0 0 443.374 6.546 50 30 IKEARN Cc1nn(-c2ccc(Br)cc2)c(Cl)c1C=C1C(=O)c2ccccc2C1=O ZINC000000672767 555532206 /nfs/dbraw/zinc/53/22/06/555532206.db2.gz MAGPRYDBSJYWJB-UHFFFAOYSA-N 0 0 427.685 5.059 50 30 IKEARN CCOc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1 ZINC000000674102 555532748 /nfs/dbraw/zinc/53/27/48/555532748.db2.gz HZWPWNBDPDQBLB-YZSQISJMSA-N 0 0 446.528 5.496 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674134 555532830 /nfs/dbraw/zinc/53/28/30/555532830.db2.gz MDSSCXDGYAOCPG-GKVSMKOHSA-N 0 0 443.459 5.108 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000681876 555537724 /nfs/dbraw/zinc/53/77/24/555537724.db2.gz UNQYSMUMZWEZGU-WXTAPIANSA-N 0 0 441.487 5.583 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000000681884 555537727 /nfs/dbraw/zinc/53/77/27/555537727.db2.gz FZOQITOWFUELIN-ZTOMLWHTSA-N 0 0 438.571 6.798 50 30 IKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000000682682 555538207 /nfs/dbraw/zinc/53/82/07/555538207.db2.gz ICDDYVJYXMNNCS-NRFANRHFSA-N 0 0 444.453 5.401 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000704876 555544321 /nfs/dbraw/zinc/54/43/21/555544321.db2.gz QFKNQERRCUOCAT-UHFFFAOYSA-N 0 0 430.928 5.454 50 30 IKEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000000708824 555545757 /nfs/dbraw/zinc/54/57/57/555545757.db2.gz VEMXZDDCIZHGKV-ATIYNZHBSA-N 0 0 443.543 5.044 50 30 biogenic IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC ZINC000000709637 555546477 /nfs/dbraw/zinc/54/64/77/555546477.db2.gz YSPATPBMNCXEOI-WXTAPIANSA-N 0 0 427.504 5.078 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000000709469 555546543 /nfs/dbraw/zinc/54/65/43/555546543.db2.gz HBJPZHCWYVMFSK-IVCQMTBJSA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000709964 555546856 /nfs/dbraw/zinc/54/68/56/555546856.db2.gz HJCKFKPMUDVFJX-BVZFJXPGSA-N 0 0 434.461 6.685 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC ZINC000000709950 555546868 /nfs/dbraw/zinc/54/68/68/555546868.db2.gz HILUGRDIMXMNKP-CPJLOUKISA-N 0 0 432.545 5.745 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000709666 555546882 /nfs/dbraw/zinc/54/68/82/555546882.db2.gz PNBMOJTYKBKKSI-WINIVTDRSA-N 0 0 426.516 5.770 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000709962 555546893 /nfs/dbraw/zinc/54/68/93/555546893.db2.gz HJCKFKPMUDVFJX-AVRWGWEMSA-N 0 0 434.461 6.685 50 30 IKEARN COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000710576 555547066 /nfs/dbraw/zinc/54/70/66/555547066.db2.gz PQEHEKCBFSELGZ-VWLOTQADSA-N 0 0 445.559 5.085 50 30 IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000714604 555548174 /nfs/dbraw/zinc/54/81/74/555548174.db2.gz SKKUHPMYBVGVIM-SANMLTNESA-N 0 0 444.575 5.244 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000717195 555548809 /nfs/dbraw/zinc/54/88/09/555548809.db2.gz FOXLSVCGCITMAQ-XOBRGWDASA-N 0 0 447.478 5.302 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000717023 555548836 /nfs/dbraw/zinc/54/88/36/555548836.db2.gz WQWIPDQACZGAQA-DEOSSOPVSA-N 0 0 433.523 5.216 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 ZINC000000718182 555549470 /nfs/dbraw/zinc/54/94/70/555549470.db2.gz AEKKKQZGFKZCDI-QFIPXVFZSA-N 0 0 441.449 5.417 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O ZINC000000720496 555549676 /nfs/dbraw/zinc/54/96/76/555549676.db2.gz ALLHTRHSEXYSHK-QMTYFTJSSA-N 0 0 446.934 6.034 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O ZINC000000720497 555549689 /nfs/dbraw/zinc/54/96/89/555549689.db2.gz ALLHTRHSEXYSHK-YHAMSUFESA-N 0 0 446.934 6.034 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 ZINC000000720680 555549839 /nfs/dbraw/zinc/54/98/39/555549839.db2.gz GTMALCFWCWTLHG-QLXKLKPCSA-N 0 0 430.935 6.328 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 ZINC000000720679 555549845 /nfs/dbraw/zinc/54/98/45/555549845.db2.gz GTMALCFWCWTLHG-WGDIFIGCSA-N 0 0 430.935 6.328 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000726682 555551560 /nfs/dbraw/zinc/55/15/60/555551560.db2.gz ZTFTZLTWCFXRRA-RUZDIDTESA-N 0 0 429.560 5.596 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1O ZINC000000729454 555552606 /nfs/dbraw/zinc/55/26/06/555552606.db2.gz GNKHAOYTTTZSRO-JBEBIEQOSA-N 0 0 448.544 5.450 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000752192 555553619 /nfs/dbraw/zinc/55/36/19/555553619.db2.gz ZCUGSWXAZIKTEJ-HSZRJFAPSA-N 0 0 435.951 5.687 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000000758140 555554151 /nfs/dbraw/zinc/55/41/51/555554151.db2.gz DKOWFPXWOGZNDE-NRFANRHFSA-N 0 0 442.342 5.705 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccsc2)cc1 ZINC000000781161 555555025 /nfs/dbraw/zinc/55/50/25/555555025.db2.gz PVQUMWOXIGBNQT-JOCHJYFZSA-N 0 0 437.561 5.104 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781244 555555133 /nfs/dbraw/zinc/55/51/33/555555133.db2.gz CTKAJFWUYWTFMS-XDHUDOTRSA-N 0 0 449.572 5.301 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781197 555555208 /nfs/dbraw/zinc/55/52/08/555555208.db2.gz ITXHUVWRPATFIF-NYHFZMIOSA-N 0 0 425.525 5.200 50 30 IKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccs1 ZINC000000781600 555555235 /nfs/dbraw/zinc/55/52/35/555555235.db2.gz CPBIHIHWHZSILW-UPCLLVRISA-N 0 0 437.561 5.070 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781189 555555284 /nfs/dbraw/zinc/55/52/84/555555284.db2.gz VCCPBBWFNKCBSJ-AOMKIAJQSA-N 0 0 439.602 5.657 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781196 555555297 /nfs/dbraw/zinc/55/52/97/555555297.db2.gz ITXHUVWRPATFIF-OYHNWAKOSA-N 0 0 425.525 5.200 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000000797809 555558686 /nfs/dbraw/zinc/55/86/86/555558686.db2.gz GHXRYOQNKCPDCB-OAQYLSRUSA-N 0 0 431.875 5.341 50 30 IKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1 ZINC000000805509 555559895 /nfs/dbraw/zinc/55/98/95/555559895.db2.gz BFLSOFSVIURLKS-WTYVLRPYSA-N 0 0 440.543 6.073 50 30 IKEARN COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc(OC)c1OC ZINC000000806599 555560043 /nfs/dbraw/zinc/56/00/43/555560043.db2.gz PQFJEWKLYNXFGB-RUZDIDTESA-N 0 0 431.513 5.579 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000811227 555560658 /nfs/dbraw/zinc/56/06/58/555560658.db2.gz ZYVPCBFLZWXWBQ-HFZDXXHNSA-N 0 0 444.575 5.066 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1OC ZINC000000815785 555562095 /nfs/dbraw/zinc/56/20/95/555562095.db2.gz NOXGFUIHZRXLNU-UZTOHYMASA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1O ZINC000000815820 555562125 /nfs/dbraw/zinc/56/21/25/555562125.db2.gz ZUFFGJVOIPXCQQ-PPHZAIPVSA-N 0 0 426.516 5.689 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)cc1)OCO3 ZINC000000816100 555562526 /nfs/dbraw/zinc/56/25/26/555562526.db2.gz ZFPBFTKDRPSHOB-FQEVSTJZSA-N 0 0 426.310 5.378 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000000826318 555565078 /nfs/dbraw/zinc/56/50/78/555565078.db2.gz GDWRIOUHCKMNGU-QFIPXVFZSA-N 0 0 441.449 5.417 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1 ZINC000000826150 555565156 /nfs/dbraw/zinc/56/51/56/555565156.db2.gz WSZYTWBVWQDSEK-UHFFFAOYSA-N 0 0 429.354 5.849 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000000833873 555566583 /nfs/dbraw/zinc/56/65/83/555566583.db2.gz AKIZFOBIXPHFNG-SDHSZQHLSA-N 0 0 435.914 5.624 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000853747 555570692 /nfs/dbraw/zinc/57/06/92/555570692.db2.gz WYHRPDDRWYVJSZ-HFZDXXHNSA-N 0 0 445.559 5.399 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000000856619 555571320 /nfs/dbraw/zinc/57/13/20/555571320.db2.gz GXIDLLVAGNKJCN-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1 ZINC000000856553 555571430 /nfs/dbraw/zinc/57/14/30/555571430.db2.gz LZWMCIHUFKFIJD-UZTOHYMASA-N 0 0 442.584 6.397 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000000861123 555572313 /nfs/dbraw/zinc/57/23/13/555572313.db2.gz FLWSURSIFHMWID-QLXKLKPCSA-N 0 0 441.487 5.583 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000000861347 555572575 /nfs/dbraw/zinc/57/25/75/555572575.db2.gz IXPGNTPEPUTNDM-WXTAPIANSA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1OC ZINC000000883259 555578049 /nfs/dbraw/zinc/57/80/49/555578049.db2.gz NOHJYOJEXDRYDO-CLYVBNDRSA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 ZINC000000883123 555578131 /nfs/dbraw/zinc/57/81/31/555578131.db2.gz DVDPCBUPISECOT-AKJBCIBTSA-N 0 0 432.470 5.953 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000000883396 555578383 /nfs/dbraw/zinc/57/83/83/555578383.db2.gz RVKAPMSAJHNMDA-CPJLOUKISA-N 0 0 432.545 5.745 50 30 IKEARN O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000009539528 555579824 /nfs/dbraw/zinc/57/98/24/555579824.db2.gz KZNNSZCBXBIFRV-KRXBUXKQSA-N 0 0 429.404 5.034 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccc(C)c(Cl)c1 ZINC000000992441 555596883 /nfs/dbraw/zinc/59/68/83/555596883.db2.gz KTPDPPXJUVXQGD-ZPKJPUMHSA-N 0 0 441.984 5.412 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000001009965 555601676 /nfs/dbraw/zinc/60/16/76/555601676.db2.gz CPLNGBNICXUHSF-OAQYLSRUSA-N 0 0 449.963 5.556 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000001010065 555601690 /nfs/dbraw/zinc/60/16/90/555601690.db2.gz NBXXVQZRWGQZNE-OAQYLSRUSA-N 0 0 441.453 5.015 50 30 IKEARN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000001015773 555602555 /nfs/dbraw/zinc/60/25/55/555602555.db2.gz ZSWLOYHPSHLOFC-HZYJKNPPSA-N 0 0 435.936 5.505 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OCCC(C)C)c2)o1 ZINC000001019954 555603335 /nfs/dbraw/zinc/60/33/35/555603335.db2.gz CBYNSGURWQTNBK-QHCPKHFHSA-N 0 0 449.503 5.384 50 30 IKEARN O=C(ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl)c1cccs1 ZINC000001048875 555612086 /nfs/dbraw/zinc/61/20/86/555612086.db2.gz JQNBWCOPRUPLAY-UHFFFAOYSA-N 0 0 428.287 6.107 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001049134 555612474 /nfs/dbraw/zinc/61/24/74/555612474.db2.gz VVECEIQGOJKZDR-IBGZPJMESA-N 0 0 440.286 6.118 50 30 IKEARN CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1 ZINC000001066552 555618817 /nfs/dbraw/zinc/61/88/17/555618817.db2.gz TYMIGKASUDASBX-UZTOHYMASA-N 0 0 425.532 5.848 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001070611 555620839 /nfs/dbraw/zinc/62/08/39/555620839.db2.gz VPXIKURZVDVKSA-OPAMFIHVSA-N 0 0 441.980 5.715 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC ZINC000001097762 555628107 /nfs/dbraw/zinc/62/81/07/555628107.db2.gz ONWRRUVUXMKAKW-NSYGIPOTSA-N 0 0 432.545 5.745 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107178 555629616 /nfs/dbraw/zinc/62/96/16/555629616.db2.gz KVBFJHWUHYHGJR-NSYGIPOTSA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107175 555629679 /nfs/dbraw/zinc/62/96/79/555629679.db2.gz KVBFJHWUHYHGJR-SSOJOUAXSA-N 0 0 445.906 6.228 50 30 IKEARN CN1C2=C(C(=O)CC(C)(C)C2)C(c2c(Cl)cccc2Cl)C2=C1CC(C)(C)CC2=O ZINC000001113871 555633141 /nfs/dbraw/zinc/63/31/41/555633141.db2.gz SXLIJVAAMDGNTR-UHFFFAOYSA-N 0 0 432.391 6.309 50 30 IKEARN Cc1ccccc1C(=O)Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000001114661 555633685 /nfs/dbraw/zinc/63/36/85/555633685.db2.gz WBTLJBPZANYRTJ-UHFFFAOYSA-N 0 0 428.484 5.342 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120535 555637264 /nfs/dbraw/zinc/63/72/64/555637264.db2.gz COVPLLUFWZDQIK-JTHBVZDNSA-N 0 0 433.548 5.050 50 30 IKEARN CSc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001130364 555643886 /nfs/dbraw/zinc/64/38/86/555643886.db2.gz KUGQVAHDEZEQDF-WRONEBCDSA-N 0 0 448.591 7.024 50 30 IKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001147917 555654659 /nfs/dbraw/zinc/65/46/59/555654659.db2.gz AWIYDOPOGWXPKE-CRICUBBOSA-N 0 0 429.451 5.713 50 30 IKEARN Cc1ccc(COc2ccc(Cl)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000001156326 555658948 /nfs/dbraw/zinc/65/89/48/555658948.db2.gz IGVCGPGSHVNFAF-UHFFFAOYSA-N 0 0 448.946 6.355 50 30 IKEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001157717 555659893 /nfs/dbraw/zinc/65/98/93/555659893.db2.gz ZHAGFXIEEZOMEV-UHFFFAOYSA-N 0 0 449.846 5.298 50 30 IKEARN O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000001170838 555666474 /nfs/dbraw/zinc/66/64/74/555666474.db2.gz BVOIPXPHYXLSCY-YHAMSUFESA-N 0 0 444.918 6.048 50 30 IKEARN Cc1ccc(C2CC(=O)C(=CNc3ccc(Cl)cc3C(=O)c3ccccc3)C(=O)C2)cc1 ZINC000001178579 555670807 /nfs/dbraw/zinc/67/08/07/555670807.db2.gz XVQRJJYWDAELSB-UHFFFAOYSA-N 0 0 443.930 5.891 50 30 IKEARN COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)c4ccccc4C3=O)c1C)CCCC2 ZINC000001181877 555672251 /nfs/dbraw/zinc/67/22/51/555672251.db2.gz KKAUYDVPPZZSHH-UHFFFAOYSA-N 0 0 445.540 5.284 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(SC)cc1 ZINC000001184398 555673348 /nfs/dbraw/zinc/67/33/48/555673348.db2.gz BQEAGWNBPANOMQ-ZHRRBRCNSA-N 0 0 439.602 5.395 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001198568 555677863 /nfs/dbraw/zinc/67/78/63/555677863.db2.gz XPTURDIPIQPZTM-QHCPKHFHSA-N 0 0 433.508 5.394 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl ZINC000001199307 555677896 /nfs/dbraw/zinc/67/78/96/555677896.db2.gz MMIJTDNGKZNQHE-WINIVTDRSA-N 0 0 442.946 6.261 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000001202693 555679056 /nfs/dbraw/zinc/67/90/56/555679056.db2.gz LGJDTSPXJNLJLU-AOMKIAJQSA-N 0 0 442.342 5.528 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001202710 555679392 /nfs/dbraw/zinc/67/93/92/555679392.db2.gz BRXDEBWFHMZQRS-FQRUVTKNSA-N 0 0 445.534 5.673 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1 ZINC000001213132 555682732 /nfs/dbraw/zinc/68/27/32/555682732.db2.gz IPOXFBRCQVZDRD-NRFANRHFSA-N 0 0 444.915 5.092 50 30 IKEARN CCOc1ccccc1NC(=O)CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000001213742 555683037 /nfs/dbraw/zinc/68/30/37/555683037.db2.gz LIPNXQLBCIZNOH-OZSVZHKOSA-N 0 0 445.544 5.250 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000001213262 555683118 /nfs/dbraw/zinc/68/31/18/555683118.db2.gz TZIRPBWBLGPZKR-OAQYLSRUSA-N 0 0 444.915 5.092 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC ZINC000001217619 555684490 /nfs/dbraw/zinc/68/44/90/555684490.db2.gz VGEDZCPHLUUQHL-NGOKVRLYSA-N 0 0 440.543 5.992 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1ccccc1 ZINC000001219403 555685428 /nfs/dbraw/zinc/68/54/28/555685428.db2.gz FMXRLXNNXMDUPU-DEOSSOPVSA-N 0 0 437.495 5.007 50 30 IKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000001414053 555694903 /nfs/dbraw/zinc/69/49/03/555694903.db2.gz HALUOMUJKGFJCG-QHCPKHFHSA-N 0 0 432.955 6.056 50 30 IKEARN CC1=Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2)C1C(=O)c1ccccc1 ZINC000001431391 555696406 /nfs/dbraw/zinc/69/64/06/555696406.db2.gz AKLNFTWAEIPCCY-JOCHJYFZSA-N 0 0 444.332 5.971 50 30 IKEARN COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001434757 555696858 /nfs/dbraw/zinc/69/68/58/555696858.db2.gz XEOFLJWHOWJEGJ-ZBLYBZFDSA-N 0 0 438.527 5.761 50 30 IKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000001434744 555696882 /nfs/dbraw/zinc/69/68/82/555696882.db2.gz CAMUSSBJXLSYGW-QYBDOPJKSA-N 0 0 441.487 5.583 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001437503 555697196 /nfs/dbraw/zinc/69/71/96/555697196.db2.gz FZWFXQJDLNGVJB-NFQMXDRXSA-N 0 0 439.515 6.191 50 30 IKEARN Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 ZINC000001446275 555699089 /nfs/dbraw/zinc/69/90/89/555699089.db2.gz OEYYIIQKGKVDPR-NOZRDPDXSA-N 0 0 441.512 5.694 50 30 IKEARN CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc(F)cc2)C2=C1CCCC2=O ZINC000001461725 555700830 /nfs/dbraw/zinc/70/08/30/555700830.db2.gz KWPCGCZAHIPHBJ-UHFFFAOYSA-N 0 0 431.507 5.448 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001467860 555701173 /nfs/dbraw/zinc/70/11/73/555701173.db2.gz KGWJKHNQEUXZHS-WXTAPIANSA-N 0 0 441.487 5.583 50 30 IKEARN Cc1cccc(/N=C2\S/C(=C3/c4ccccc4NC3=O)C(=O)N2c2cccc(C)c2)c1 ZINC000001750607 555712449 /nfs/dbraw/zinc/71/24/49/555712449.db2.gz SQTBLSXUCCSCNY-LWTODMHQSA-N 0 0 425.513 5.434 50 30 IKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000002027953 555727857 /nfs/dbraw/zinc/72/78/57/555727857.db2.gz LNBPNFPHPLKJNI-UHFFFAOYSA-N 0 0 444.325 5.377 50 30 IKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccc(-c2ccccc2)cc1 ZINC000002054459 555729815 /nfs/dbraw/zinc/72/98/15/555729815.db2.gz XQKHDZPJIHPNDM-ITYLOYPMSA-N 0 0 434.516 6.902 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000002055087 555730034 /nfs/dbraw/zinc/73/00/34/555730034.db2.gz DXDXNFACWIRAOJ-QHCPKHFHSA-N 0 0 441.568 5.041 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000002057056 555731063 /nfs/dbraw/zinc/73/10/63/555731063.db2.gz UDSFBCNQXCPMGT-XMMPIXPASA-N 0 0 446.547 6.407 50 30 IKEARN N#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060620 555731742 /nfs/dbraw/zinc/73/17/42/555731742.db2.gz BLNQBDIUJVBYSK-UHFFFAOYSA-N 0 0 427.573 5.137 50 30 biogenic IKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000002062869 555732460 /nfs/dbraw/zinc/73/24/60/555732460.db2.gz KNZQDTUEZJGQOH-UHFFFAOYSA-N 0 0 434.319 5.921 50 30 IKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O ZINC000002062836 555732472 /nfs/dbraw/zinc/73/24/72/555732472.db2.gz OZTWMMZAKPMWIH-UHFFFAOYSA-N 0 0 427.928 5.966 50 30 IKEARN CCCCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002063479 555732714 /nfs/dbraw/zinc/73/27/14/555732714.db2.gz DIROGGFVUDXQJR-MUUNZHRXSA-N 0 0 425.572 7.328 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000002063030 555732818 /nfs/dbraw/zinc/73/28/18/555732818.db2.gz OPKVJJOYHAOZBQ-PMERELPUSA-N 0 0 445.562 7.942 50 30 IKEARN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c5ccccc5cc5ccccc54)c3)oc2c1 ZINC000002071782 555735108 /nfs/dbraw/zinc/73/51/08/555735108.db2.gz PDTYYXNUJLDUBR-FDAWAROLSA-N 0 0 426.519 8.169 50 30 IKEARN CCOc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000002073699 555735351 /nfs/dbraw/zinc/73/53/51/555735351.db2.gz DMVNZPBABRIATL-HXNPFYCNSA-N 0 0 428.557 6.511 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000002082208 555738656 /nfs/dbraw/zinc/73/86/56/555738656.db2.gz ZPCSONYMHSEOKG-LMTJQJACSA-N 0 0 444.556 6.129 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000002084316 555739463 /nfs/dbraw/zinc/73/94/63/555739463.db2.gz JZTGGLKGODRTLO-SIFZUIMESA-N 0 0 442.584 6.737 50 30 IKEARN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000002087114 555740302 /nfs/dbraw/zinc/74/03/02/555740302.db2.gz MTZVPOYKYSIUND-KHHYFDFNSA-N 0 0 448.975 6.774 50 30 IKEARN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000002096584 555742339 /nfs/dbraw/zinc/74/23/39/555742339.db2.gz DZUAXGVASOYPKK-STBIYBPSSA-N 0 0 438.914 7.195 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@@H]5[C@@H]4CC[C@H]3C2)cc1 ZINC000002101312 555742651 /nfs/dbraw/zinc/74/26/51/555742651.db2.gz HNTMKSKJRZRWKS-MXCAZFEMSA-N 0 0 444.637 5.681 50 30 biogenic IKEARN Cc1ccc(-c2ccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)o2)cc1C ZINC000002137992 555747603 /nfs/dbraw/zinc/74/76/03/555747603.db2.gz VPQBICXEWXSGIE-SSEXGKCCSA-N 0 0 447.578 8.026 50 30 IKEARN C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2c(F)cccc2F)C12CCCCC2 ZINC000002151936 555749607 /nfs/dbraw/zinc/74/96/07/555749607.db2.gz GGLMRZGTOULZJG-QLYXXIJNSA-N 0 0 432.923 6.712 50 30 IKEARN CN(C)C=CC(=O)c1sc(SCc2ccc(Cl)cc2)c2c1CC(C)(C)CC2=O ZINC000002157647 555750647 /nfs/dbraw/zinc/75/06/47/555750647.db2.gz GRCOSDBMHHDVQA-MDZDMXLPSA-N 0 0 434.026 6.107 50 30 IKEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OCC)cc3)N(CC)C2=O)cc1Cl ZINC000002166692 555751452 /nfs/dbraw/zinc/75/14/52/555751452.db2.gz MCCPLJFOMYLEGK-VLYZUMCXSA-N 0 0 442.968 5.927 50 30 IKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000002173443 555752468 /nfs/dbraw/zinc/75/24/68/555752468.db2.gz AJVBCOIYFUEUHF-JMIUGGIZSA-N 0 0 443.906 5.917 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 ZINC000002183155 555754278 /nfs/dbraw/zinc/75/42/78/555754278.db2.gz HCMBQUARCSDHKN-UHFFFAOYSA-N 0 0 428.623 6.007 50 30 IKEARN Cc1ccc(COc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 ZINC000002186896 555755578 /nfs/dbraw/zinc/75/55/78/555755578.db2.gz BGNKGJNGCGBOOX-NJZRLIGZSA-N 0 0 443.550 7.177 50 30 IKEARN CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1ccc(Br)cc1 ZINC000002187659 555755628 /nfs/dbraw/zinc/75/56/28/555755628.db2.gz QMMYSSIOPBBGDF-GFMRDNFCSA-N 0 0 442.426 6.730 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000002190005 555756299 /nfs/dbraw/zinc/75/62/99/555756299.db2.gz YICPRIVRYRCVKF-VWLOTQADSA-N 0 0 447.962 6.907 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 ZINC000002258877 555763165 /nfs/dbraw/zinc/76/31/65/555763165.db2.gz BXNVVDLMFDVBIR-UHFFFAOYSA-N 0 0 425.572 6.577 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 ZINC000002277546 555764672 /nfs/dbraw/zinc/76/46/72/555764672.db2.gz OCNHDYVYSOLRKG-UHFFFAOYSA-N 0 0 426.651 6.252 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)O/N=C1/c2ccccc2-c2ccccc2C1=O ZINC000002335801 555769944 /nfs/dbraw/zinc/76/99/44/555769944.db2.gz JVRBOXDBWSYVGC-BXVZCJGGSA-N 0 0 428.447 5.650 50 30 IKEARN COc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000002349938 555771056 /nfs/dbraw/zinc/77/10/56/555771056.db2.gz VDWBMMHVRBZXQO-FOKLQQMPSA-N 0 0 429.332 5.585 50 30 IKEARN CCCc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000002354878 555771390 /nfs/dbraw/zinc/77/13/90/555771390.db2.gz DZBNXKGNQKJXTO-LJAQVGFWSA-N 0 0 433.576 7.659 50 30 IKEARN CCCc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12 ZINC000002354879 555771412 /nfs/dbraw/zinc/77/14/12/555771412.db2.gz DZBNXKGNQKJXTO-GDLZYMKVSA-N 0 0 433.576 7.659 50 30 IKEARN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H]2CO2)c2ccccc12 ZINC000002442673 555779721 /nfs/dbraw/zinc/77/97/21/555779721.db2.gz FBNOVRADKNFNTI-XMMPIXPASA-N 0 0 439.555 6.426 50 30 IKEARN Cc1ccc(C)c(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2)c1 ZINC000002546754 555786939 /nfs/dbraw/zinc/78/69/39/555786939.db2.gz WUGZQOCDROIDGB-UHFFFAOYSA-N 0 0 425.506 5.761 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F ZINC000002727244 555803174 /nfs/dbraw/zinc/80/31/74/555803174.db2.gz MYDTUXQZYKGFBP-SSOJOUAXSA-N 0 0 449.522 5.149 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F ZINC000002727246 555803178 /nfs/dbraw/zinc/80/31/78/555803178.db2.gz MYDTUXQZYKGFBP-CRICUBBOSA-N 0 0 449.522 5.149 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C ZINC000002734159 555805739 /nfs/dbraw/zinc/80/57/39/555805739.db2.gz VPPYNVKVOBODLN-HXNPFYCNSA-N 0 0 427.573 6.178 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000002762197 555813163 /nfs/dbraw/zinc/81/31/63/555813163.db2.gz SXMZLGGLKKFOMY-AOMKIAJQSA-N 0 0 425.525 5.202 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000002762200 555813167 /nfs/dbraw/zinc/81/31/67/555813167.db2.gz SXMZLGGLKKFOMY-OPAMFIHVSA-N 0 0 425.525 5.202 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000002775342 555817490 /nfs/dbraw/zinc/81/74/90/555817490.db2.gz ZFAYHMDKIHHFJC-UUOWRZLLSA-N 0 0 435.951 5.655 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc21 ZINC000002775336 555817511 /nfs/dbraw/zinc/81/75/11/555817511.db2.gz HTRMGPQTKYBQEC-DEOSSOPVSA-N 0 0 449.616 5.740 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000002775523 555817805 /nfs/dbraw/zinc/81/78/05/555817805.db2.gz YZWSCBAAIOOYLZ-OAQYLSRUSA-N 0 0 445.650 5.309 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000002776231 555818111 /nfs/dbraw/zinc/81/81/11/555818111.db2.gz BJAQRJZBQYOTIL-UQBPGWFLSA-N 0 0 449.522 5.149 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000002776233 555818124 /nfs/dbraw/zinc/81/81/24/555818124.db2.gz BJAQRJZBQYOTIL-KBMIEXCESA-N 0 0 449.522 5.149 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002796111 555822168 /nfs/dbraw/zinc/82/21/68/555822168.db2.gz ZMINNEZOMLJMAP-JOCHJYFZSA-N 0 0 427.972 5.820 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000002801387 555824418 /nfs/dbraw/zinc/82/44/18/555824418.db2.gz JTOFCINAFOCETG-NRFANRHFSA-N 0 0 445.943 5.016 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)c1 ZINC000002825014 555830632 /nfs/dbraw/zinc/83/06/32/555830632.db2.gz OLVQEPYPKVCBKT-JXKYSLRESA-N 0 0 444.556 6.129 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000002828765 555831727 /nfs/dbraw/zinc/83/17/27/555831727.db2.gz TUXAWWFWXXNLRB-MOSHPQCFSA-N 0 0 440.952 6.522 50 30 IKEARN COc1cc(Cl)cc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c1OC ZINC000002834586 555832347 /nfs/dbraw/zinc/83/23/47/555832347.db2.gz QONSFMBEJYADFS-NVNXTCNLSA-N 0 0 440.373 5.914 50 30 IKEARN N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)Cc1ccccc1)c1ccccc1 ZINC000002835341 555832590 /nfs/dbraw/zinc/83/25/90/555832590.db2.gz GOBAGKHUPWIVNQ-NDEPHWFRSA-N 0 0 432.523 6.106 50 30 IKEARN N#C[C@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)Cc1ccccc1)c1ccccc1 ZINC000002835342 555832648 /nfs/dbraw/zinc/83/26/48/555832648.db2.gz GOBAGKHUPWIVNQ-MUUNZHRXSA-N 0 0 432.523 6.106 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000002844515 555836970 /nfs/dbraw/zinc/83/69/70/555836970.db2.gz HSRHEDXSOZKCBK-BTYIYWSLSA-N 0 0 445.437 5.223 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000002865471 555846679 /nfs/dbraw/zinc/84/66/79/555846679.db2.gz WTTUQZJIHKVTAA-HXUWFJFHSA-N 0 0 443.761 6.792 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000002865470 555846719 /nfs/dbraw/zinc/84/67/19/555846719.db2.gz WTTUQZJIHKVTAA-FQEVSTJZSA-N 0 0 443.761 6.792 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000002865442 555846734 /nfs/dbraw/zinc/84/67/34/555846734.db2.gz XCQYTDYOONTSMC-GOSISDBHSA-N 0 0 439.298 5.938 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CSc1ccccc1 ZINC000002865493 555847121 /nfs/dbraw/zinc/84/71/21/555847121.db2.gz ICBFSKRAGIXFHD-FQEVSTJZSA-N 0 0 441.383 6.688 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000002868526 555848731 /nfs/dbraw/zinc/84/87/31/555848731.db2.gz AHKWGLVSLPVSDA-RUZDIDTESA-N 0 0 437.580 5.708 50 30 IKEARN O=[N+]([O-])c1ccc(/C=N/c2cccc3c(/N=C/c4ccc([N+](=O)[O-])s4)cccc23)s1 ZINC000002895080 555860262 /nfs/dbraw/zinc/86/02/62/555860262.db2.gz CCBCZSOMLDATOT-XHQRYOPUSA-N 0 0 436.474 6.280 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccccc2OC)C1=O ZINC000002898886 555860635 /nfs/dbraw/zinc/86/06/35/555860635.db2.gz RAYLBJICONGNLU-RCCKNPSSSA-N 0 0 431.513 5.392 50 30 IKEARN COc1ccc(/C=N/OC(=O)COc2ccc(Cl)cc2)cc1COc1ccc(F)cc1 ZINC000002902216 555860993 /nfs/dbraw/zinc/86/09/93/555860993.db2.gz NUDYPZHFKSSXCQ-LGJNPRDNSA-N 0 0 443.858 5.023 50 30 IKEARN O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000002989665 555874837 /nfs/dbraw/zinc/87/48/37/555874837.db2.gz YRDNJZZGNQODJR-UHFFFAOYSA-N 0 0 440.271 5.145 50 30 IKEARN COc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(OC)c4)c(C)c3)cc2C)c1 ZINC000003087953 555885173 /nfs/dbraw/zinc/88/51/73/555885173.db2.gz SZEIUSDFULKYCP-GKTLAHRSSA-N 0 0 448.566 7.489 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000003098421 555886383 /nfs/dbraw/zinc/88/63/83/555886383.db2.gz VBHXRBFTMHYHBI-OAQYLSRUSA-N 0 0 448.390 6.083 50 30 IKEARN N#CCSc1nnc(-c2ncc(C(F)(F)F)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000003126392 555889691 /nfs/dbraw/zinc/88/96/91/555889691.db2.gz GDFCGPZPQAYLTK-UHFFFAOYSA-N 0 0 430.242 5.271 50 30 IKEARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000003129511 555889888 /nfs/dbraw/zinc/88/98/88/555889888.db2.gz UEZOUNPGTOXXDK-UHFFFAOYSA-N 0 0 431.254 5.918 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1c(F)cccc1Cl ZINC000003135290 555890900 /nfs/dbraw/zinc/89/09/00/555890900.db2.gz UOXQCOOMSBDYAD-LIMNOBDPSA-N 0 0 442.661 6.332 50 30 IKEARN Cc1cccc(C(=O)Oc2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)cc2)c1 ZINC000003139436 555891483 /nfs/dbraw/zinc/89/14/83/555891483.db2.gz NCAJCPAGPUCZPF-KGENOOAVSA-N 0 0 448.931 5.759 50 30 IKEARN COc1ccc(N2C(=S)N=C(Nc3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000003146509 555891982 /nfs/dbraw/zinc/89/19/82/555891982.db2.gz CCOVAHATCKNBJA-UHFFFAOYSA-N 0 0 435.637 6.403 50 30 IKEARN O[C@@](Cc1ccccc1)(c1ccccc1)c1ccccc1/N=C/c1ccc(Cl)c(Cl)c1 ZINC000003161672 555892998 /nfs/dbraw/zinc/89/29/98/555892998.db2.gz TZQAMRXGNMSWBK-UVKUDMKVSA-N 0 0 446.377 7.223 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000003196630 555897193 /nfs/dbraw/zinc/89/71/93/555897193.db2.gz RSCCRIZXMUOONM-UHFFFAOYSA-N 0 0 435.564 6.402 50 30 IKEARN COc1c(O)ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000003206539 555898373 /nfs/dbraw/zinc/89/83/73/555898373.db2.gz UQLVLFWQFRDLSF-QHCPKHFHSA-N 0 0 444.487 5.772 50 30 IKEARN COc1c(O)ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000003206537 555898380 /nfs/dbraw/zinc/89/83/80/555898380.db2.gz UQLVLFWQFRDLSF-HSZRJFAPSA-N 0 0 444.487 5.772 50 30 IKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000034799365 555918708 /nfs/dbraw/zinc/91/87/08/555918708.db2.gz QMPAZLQZGXTCEK-NFDUIPGLSA-N 0 0 425.484 5.186 50 30 IKEARN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000003655233 555944236 /nfs/dbraw/zinc/94/42/36/555944236.db2.gz SCFHWZBBYMSUMU-QHCPKHFHSA-N 0 0 449.624 6.170 50 30 IKEARN Cc1ccc(Cl)cc1NC1=NC(=S)N(Cc2c(F)cccc2F)C12CCCCC2 ZINC000003663838 555944785 /nfs/dbraw/zinc/94/47/85/555944785.db2.gz MTZGNBQCSRYBTK-UHFFFAOYSA-N 0 0 433.955 6.050 50 30 IKEARN Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 ZINC000003663605 555944843 /nfs/dbraw/zinc/94/48/43/555944843.db2.gz VKCSIAQWASAEHJ-KBKYJPHKSA-N 0 0 426.221 7.261 50 30 IKEARN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000003665976 555945249 /nfs/dbraw/zinc/94/52/49/555945249.db2.gz GXMBUPUSJQJUTO-OQNHBUHUSA-N 0 0 430.529 5.508 50 30 IKEARN Clc1ccc(CO/N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000003873296 555949953 /nfs/dbraw/zinc/94/99/53/555949953.db2.gz QRJJEGAJXVEBNE-MOHJPFBDSA-N 0 0 429.134 6.118 50 30 fda IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004043999 555955105 /nfs/dbraw/zinc/95/51/05/555955105.db2.gz LPRZIIKGLMNTQR-RLWLMLJZSA-N 0 0 444.575 5.067 50 30 IKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000004048128 555955511 /nfs/dbraw/zinc/95/55/11/555955511.db2.gz AHURIOZKCVUFMA-XRHLQHRESA-N 0 0 444.962 6.718 50 30 IKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)nc1 ZINC000004048029 555955582 /nfs/dbraw/zinc/95/55/82/555955582.db2.gz YUFUCZMOZACMNA-PGGKNCGUSA-N 0 0 435.242 5.461 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000004060722 555956519 /nfs/dbraw/zinc/95/65/19/555956519.db2.gz SZUBJTPRYPQCBJ-HSZRJFAPSA-N 0 0 441.568 5.041 50 30 IKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004060369 555956538 /nfs/dbraw/zinc/95/65/38/555956538.db2.gz KXTDPSFRKVEGGC-FNZWTVRRSA-N 0 0 445.559 5.400 50 30 IKEARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004060580 555956598 /nfs/dbraw/zinc/95/65/98/555956598.db2.gz WVSUBUTVJZRGPG-QHCPKHFHSA-N 0 0 441.568 5.040 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000004060721 555956608 /nfs/dbraw/zinc/95/66/08/555956608.db2.gz SZUBJTPRYPQCBJ-QHCPKHFHSA-N 0 0 441.568 5.041 50 30 IKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004061510 555956771 /nfs/dbraw/zinc/95/67/71/555956771.db2.gz PNOZYXWTWMGNKG-XMMPIXPASA-N 0 0 437.580 5.565 50 30 IKEARN CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)ccc21 ZINC000004062292 555957187 /nfs/dbraw/zinc/95/71/87/555957187.db2.gz YINWYWNTGNNZFR-NDEPHWFRSA-N 0 0 435.571 7.036 50 30 IKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004065173 555957392 /nfs/dbraw/zinc/95/73/92/555957392.db2.gz DYIZXSBIONMLTR-WXTAPIANSA-N 0 0 447.003 7.041 50 30 IKEARN CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004065495 555957403 /nfs/dbraw/zinc/95/74/03/555957403.db2.gz FEAIPHNAYUBJNB-PBBNMVCDSA-N 0 0 438.571 6.845 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000004065020 555957436 /nfs/dbraw/zinc/95/74/36/555957436.db2.gz PUBGMKLSHJCVGM-MYUZEXMDSA-N 0 0 442.515 5.389 50 30 IKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004065177 555957440 /nfs/dbraw/zinc/95/74/40/555957440.db2.gz DYIZXSBIONMLTR-DWXRJYCRSA-N 0 0 447.003 7.041 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000004065014 555957443 /nfs/dbraw/zinc/95/74/43/555957443.db2.gz PUBGMKLSHJCVGM-CLYVBNDRSA-N 0 0 442.515 5.389 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000004065631 555957447 /nfs/dbraw/zinc/95/74/47/555957447.db2.gz LNVYGCRQHNZVOG-GKVSMKOHSA-N 0 0 435.354 6.973 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000004065026 555957455 /nfs/dbraw/zinc/95/74/55/555957455.db2.gz PUBGMKLSHJCVGM-DNOBIOAJSA-N 0 0 442.515 5.389 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000004065505 555957483 /nfs/dbraw/zinc/95/74/83/555957483.db2.gz WPJSWEYGXJTELH-CPJLOUKISA-N 0 0 435.354 6.973 50 30 IKEARN Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl ZINC000004075229 555958396 /nfs/dbraw/zinc/95/83/96/555958396.db2.gz OMRFIMYKQSDBHP-LJQANCHMSA-N 0 0 442.346 5.303 50 30 IKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000004075112 555958398 /nfs/dbraw/zinc/95/83/98/555958398.db2.gz CFAAYVLWXFPNFY-MYUZEXMDSA-N 0 0 440.499 5.403 50 30 IKEARN Cc1ccc2occ([C@H]3Nc4cc(C)c(C)cc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 ZINC000004081885 555958934 /nfs/dbraw/zinc/95/89/34/555958934.db2.gz LXUSMDMQPSEYKW-RUZDIDTESA-N 0 0 428.532 5.940 50 30 biogenic IKEARN CC1(C)[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C(\Cl)C(F)(F)F ZINC000004098969 555962226 /nfs/dbraw/zinc/96/22/26/555962226.db2.gz ZXQYGBMAQZUVMI-XYRWEVSHSA-N 0 0 449.856 6.544 50 30 in-man IKEARN CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000004199815 555976056 /nfs/dbraw/zinc/97/60/56/555976056.db2.gz LJFKTOGWRXCVAM-VWLOTQADSA-N 0 0 429.564 5.306 50 30 IKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004285260 555982888 /nfs/dbraw/zinc/98/28/88/555982888.db2.gz HCTLUVVPAJEIAS-QHCPKHFHSA-N 0 0 425.569 5.421 50 30 IKEARN CC1(C)CC(=O)C(C(c2cccc(Br)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000004391233 555992417 /nfs/dbraw/zinc/99/24/17/555992417.db2.gz KOSHQQPAOMKJDC-UHFFFAOYSA-N 0 0 447.369 5.935 50 30 IKEARN O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])CCCC/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000004531649 555999887 /nfs/dbraw/zinc/99/98/87/555999887.db2.gz UVZRGIGWZSLUIN-AWKIKHLOSA-N 0 0 430.460 6.226 50 30 IKEARN O=C1/C(=C/c2c(Cl)cccc2Cl)CCCC/C1=C\c1c(Cl)cccc1Cl ZINC000004547133 556000436 /nfs/dbraw/zinc/00/04/36/556000436.db2.gz ISQLYRSSYXTJMW-PHEQNACWSA-N 0 0 426.170 7.910 50 30 IKEARN COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000004546663 556000443 /nfs/dbraw/zinc/00/04/43/556000443.db2.gz BDJDWCPJUGITMR-RRPNLBNLSA-N 0 0 439.942 7.166 50 30 IKEARN CC1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 ZINC000004547107 556000476 /nfs/dbraw/zinc/00/04/76/556000476.db2.gz KMSIGDDMAIEECU-ODPUSEOTSA-N 0 0 446.182 6.678 50 30 IKEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000004571385 556002088 /nfs/dbraw/zinc/00/20/88/556002088.db2.gz UQVYYRJZJGTXQW-ZRDIBKRKSA-N 0 0 434.488 5.196 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000004576313 556002256 /nfs/dbraw/zinc/00/22/56/556002256.db2.gz YEWBUPCTTJGMFX-QMHKHESXSA-N 0 0 425.550 5.210 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000004576315 556002282 /nfs/dbraw/zinc/00/22/82/556002282.db2.gz YEWBUPCTTJGMFX-WAIKUNEKSA-N 0 0 425.550 5.210 50 30 IKEARN O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000004577135 556002293 /nfs/dbraw/zinc/00/22/93/556002293.db2.gz PCAKPWYJEOQLPI-WNAAXNPUSA-N 0 0 434.496 5.730 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)cc1)OCCO3 ZINC000004794490 556012159 /nfs/dbraw/zinc/01/21/59/556012159.db2.gz YHSOMHJNKIFCNX-NRFANRHFSA-N 0 0 440.337 5.421 50 30 IKEARN O=c1[nH]c2cc(Cl)ccc2nc1C(N=Nc1ccccc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000005400651 556051098 /nfs/dbraw/zinc/05/10/98/556051098.db2.gz OWDXJEXIUNKQIO-UEKFQANFSA-N 0 0 439.302 5.192 50 30 IKEARN COC(=O)c1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 ZINC000002188584 556054860 /nfs/dbraw/zinc/05/48/60/556054860.db2.gz CMLPCGAZLNCEMU-MYXOLNAJSA-N 0 0 442.540 5.899 50 30 IKEARN COc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000006077228 556074938 /nfs/dbraw/zinc/07/49/38/556074938.db2.gz APMJSVUKEGGGQT-DEOSSOPVSA-N 0 0 443.543 6.066 50 30 IKEARN CN(C)c1ccc(/C=C/C(=O)c2ccc3c4c2cccc4C(=O)N(c2ccccc2)C3=O)cc1 ZINC000006135772 556077098 /nfs/dbraw/zinc/07/70/98/556077098.db2.gz XGEPQUCZSUSWEA-QGOAFFKASA-N 0 0 446.506 5.603 50 30 IKEARN C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(/C)c1ccc(F)cc1 ZINC000006142421 556077451 /nfs/dbraw/zinc/07/74/51/556077451.db2.gz QEDZPCJTDQBXSY-MCIWXRNGSA-N 0 0 449.473 5.297 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccs3)C2)cc1 ZINC000006156982 556078576 /nfs/dbraw/zinc/07/85/76/556078576.db2.gz IADRAYWMJXEQEO-GYCJOSAFSA-N 0 0 427.529 5.522 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(CC)s1 ZINC000006197663 556080319 /nfs/dbraw/zinc/08/03/19/556080319.db2.gz VEHPKAAVCHEUTI-FPTDNZKUSA-N 0 0 427.591 5.297 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(N(C)C)cc2)C1=O ZINC000006378659 556085914 /nfs/dbraw/zinc/08/59/14/556085914.db2.gz WRNXQTKBLFBTSF-JWGURIENSA-N 0 0 444.556 5.449 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000006407371 556086569 /nfs/dbraw/zinc/08/65/69/556086569.db2.gz NZSJVRGPRFEVNE-XMMPIXPASA-N 0 0 430.548 5.246 50 30 IKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006444397 556087597 /nfs/dbraw/zinc/08/75/97/556087597.db2.gz NRGKGSOUFUEMBN-HSZRJFAPSA-N 0 0 445.519 5.146 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc2ccccc2s1 ZINC000006459052 556089602 /nfs/dbraw/zinc/08/96/02/556089602.db2.gz IYWQSLCVXDSORP-OAQYLSRUSA-N 0 0 442.496 5.088 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br ZINC000006844232 556106034 /nfs/dbraw/zinc/10/60/34/556106034.db2.gz VPQQZKWYZYVTMU-UHFFFAOYSA-N 0 0 448.951 5.713 50 30 IKEARN O=S(=O)(N=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006975026 556112204 /nfs/dbraw/zinc/11/22/04/556112204.db2.gz PIYQUGHKNHOZJL-UHFFFAOYSA-N 0 0 441.286 5.519 50 30 IKEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1cccs1)O2 ZINC000002704827 556123897 /nfs/dbraw/zinc/12/38/97/556123897.db2.gz REEPVHFGHHQHDO-MOSHPQCFSA-N 0 0 428.469 5.004 50 30 IKEARN COc1ccc(C=Nn2cn[nH]c2=S)cc1COc1ccccc1Cc1ccccc1 ZINC000002790217 556139335 /nfs/dbraw/zinc/13/93/35/556139335.db2.gz VUNSUTQEHBHTDM-CVKSISIWSA-N 0 0 430.533 5.001 50 30 IKEARN CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)s1 ZINC000002806475 556142468 /nfs/dbraw/zinc/14/24/68/556142468.db2.gz ALZDYDWECKTLBB-OAHLLOKOSA-N 0 0 438.862 5.270 50 30 IKEARN C=CCNC(=S)N=NCc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000002888693 556147569 /nfs/dbraw/zinc/14/75/69/556147569.db2.gz KWPNXAVFAKPRIA-TURZUDJPSA-N 0 0 437.572 5.602 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000002851990 556147853 /nfs/dbraw/zinc/14/78/53/556147853.db2.gz LRZHHYIZOMOTIQ-WQRHYEAKSA-N 0 0 436.385 5.960 50 30 IKEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000002902413 556149431 /nfs/dbraw/zinc/14/94/31/556149431.db2.gz OLJRMDRLLOHXIE-CJLVFECKSA-N 0 0 443.524 5.419 50 30 IKEARN O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000003016952 556158289 /nfs/dbraw/zinc/15/82/89/556158289.db2.gz DWSVNSQDALKEOT-KGENOOAVSA-N 0 0 434.289 5.373 50 30 IKEARN Cc1cc(C)n(-c2nc(N=NCc3cccc4ccccc43)nc(Nc3ccc(C)cc3)n2)n1 ZINC000008385165 556161122 /nfs/dbraw/zinc/16/11/22/556161122.db2.gz QACFRHGFIFVHBI-JVWAILMASA-N 0 0 448.534 5.325 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(C)c(C)c1 ZINC000008385200 556161198 /nfs/dbraw/zinc/16/11/98/556161198.db2.gz VWJDRYKVGRMRDT-MAVBTGMRSA-N 0 0 429.973 5.245 50 30 IKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1 ZINC000008386613 556162141 /nfs/dbraw/zinc/16/21/41/556162141.db2.gz CIHHNIOZHNJFRI-ULEDHRJNSA-N 0 0 440.724 6.472 50 30 IKEARN CCCCCCCCCCCCCCCCCC/N=C(/C)c1ccc2ccccc2c1O ZINC000008397451 556164180 /nfs/dbraw/zinc/16/41/80/556164180.db2.gz INGLVGYOCHRDMO-ZXPTYKNPSA-N 0 0 437.712 9.616 50 30 IKEARN O=C1c2ccccc2N[C@@H](c2cccc3cccnc32)N1/N=C/c1cccc2cccnc12 ZINC000008397914 556164536 /nfs/dbraw/zinc/16/45/36/556164536.db2.gz WPVWBYOJTFBRAC-FYFIDXDESA-N 0 0 429.483 5.384 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc2ccccc21 ZINC000008398263 556164782 /nfs/dbraw/zinc/16/47/82/556164782.db2.gz UXJFJMSIQZUTRE-QDJRPKQISA-N 0 0 447.585 5.842 50 30 IKEARN Cc1cc(=O)oc2c1ccc(O)c2CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000008399120 556165126 /nfs/dbraw/zinc/16/51/26/556165126.db2.gz PNORUVCVLCSBBV-LQKURTRISA-N 0 0 448.482 5.377 50 30 IKEARN CCCCCCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000008399205 556165347 /nfs/dbraw/zinc/16/53/47/556165347.db2.gz RYFSXBLYAGLZFY-UHFFFAOYSA-N 0 0 430.617 7.748 50 30 IKEARN COc1ccc(/N=C/C2=C(c3cccs3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1 ZINC000008399786 556165669 /nfs/dbraw/zinc/16/56/69/556165669.db2.gz VFZJJXPBAFCJGD-LYAXJZIPSA-N 0 0 437.564 7.403 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000008414961 556167382 /nfs/dbraw/zinc/16/73/82/556167382.db2.gz BDFRDFCFDWYBNM-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000008413559 556167392 /nfs/dbraw/zinc/16/73/92/556167392.db2.gz IWRPYSNXHVNNGX-NRFANRHFSA-N 0 0 449.963 5.556 50 30 IKEARN COc1cccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008415132 556167698 /nfs/dbraw/zinc/16/76/98/556167698.db2.gz OVUKUJSLCIKTLD-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Oc2ccccc2)cc1 ZINC000008424834 556167989 /nfs/dbraw/zinc/16/79/89/556167989.db2.gz ZHUTWQVIPWXUAC-DIQLGICBSA-N 0 0 445.569 6.083 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000008425957 556168624 /nfs/dbraw/zinc/16/86/24/556168624.db2.gz SPICJYJHSFWNHN-ZLNRFVROSA-N 0 0 441.943 5.686 50 30 IKEARN CCN(CC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)n1 ZINC000008427187 556169389 /nfs/dbraw/zinc/16/93/89/556169389.db2.gz CKSWAVBXTMPXFF-AFUMVMLFSA-N 0 0 444.370 5.083 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 ZINC000008427016 556169412 /nfs/dbraw/zinc/16/94/12/556169412.db2.gz VFXWBQPMRDEQGI-UHFFFAOYSA-N 0 0 448.405 7.008 50 30 IKEARN Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000008427381 556169682 /nfs/dbraw/zinc/16/96/82/556169682.db2.gz HVDXBBFNUACQBW-FOKLQQMPSA-N 0 0 427.685 6.367 50 30 IKEARN CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)N(CCCC)C1=O ZINC000008431349 556171076 /nfs/dbraw/zinc/17/10/76/556171076.db2.gz NXBCRAFZZWCCCI-FBMGVBCBSA-N 0 0 449.979 5.293 50 30 IKEARN CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 ZINC000008432105 556171393 /nfs/dbraw/zinc/17/13/93/556171393.db2.gz AJHDJVAAGJGEJD-HHHXNRCGSA-N 0 0 446.591 6.419 50 30 IKEARN CCCCCCCSc1nnc2n1c1sc(C)c(C)c1c(=O)n2-c1ccccc1 ZINC000008432107 556171471 /nfs/dbraw/zinc/17/14/71/556171471.db2.gz CEKKINHLURETBK-UHFFFAOYSA-N 0 0 426.611 5.774 50 30 IKEARN CCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000008432070 556171565 /nfs/dbraw/zinc/17/15/65/556171565.db2.gz BZFSOUBHLWUHFZ-HHHXNRCGSA-N 0 0 446.591 6.419 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000008432272 556171758 /nfs/dbraw/zinc/17/17/58/556171758.db2.gz LQXLJAFNAHATON-UHFFFAOYSA-N 0 0 440.678 6.642 50 30 IKEARN CCN(CC)c1ccc(/C=[NH+]/[N-]c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 ZINC000008432757 556172159 /nfs/dbraw/zinc/17/21/59/556172159.db2.gz NPPZODLAYACBGU-AFUMVMLFSA-N 0 0 448.548 5.217 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1 ZINC000008435053 556173070 /nfs/dbraw/zinc/17/30/70/556173070.db2.gz WZCYQMKGKHOEPA-BEIQUOEZSA-N 0 0 425.579 5.469 50 30 IKEARN Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1 ZINC000008439123 556175139 /nfs/dbraw/zinc/17/51/39/556175139.db2.gz FMGGJQSMQIOMEV-NJNXFGOHSA-N 0 0 437.517 5.185 50 30 IKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000008439967 556176210 /nfs/dbraw/zinc/17/62/10/556176210.db2.gz QOVPCICKTARHON-DEOSSOPVSA-N 0 0 427.500 5.254 50 30 IKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000008440803 556176542 /nfs/dbraw/zinc/17/65/42/556176542.db2.gz POSXQJOKESEPML-JOCHJYFZSA-N 0 0 435.476 5.138 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000008443862 556178590 /nfs/dbraw/zinc/17/85/90/556178590.db2.gz CXNLWRAUFBFSFO-HHHXNRCGSA-N 0 0 446.591 6.419 50 30 IKEARN CCOC(=O)c1ccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)cc1 ZINC000008445542 556179844 /nfs/dbraw/zinc/17/98/44/556179844.db2.gz WQYVYGRHVFNMBN-UHFFFAOYSA-N 0 0 441.984 5.644 50 30 IKEARN N=C(N/N=C1\c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccc(Cl)cc1 ZINC000008446368 556180169 /nfs/dbraw/zinc/18/01/69/556180169.db2.gz QDLCINIVFFODFR-YYADALCUSA-N 0 0 434.952 5.049 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000008453955 556184649 /nfs/dbraw/zinc/18/46/49/556184649.db2.gz RQLUERFWWDWQHM-UHFFFAOYSA-N 0 0 443.635 7.788 50 30 IKEARN O=C1/C(=C/c2ccc(Br)s2)CCC/C1=C\c1ccc(Br)s1 ZINC000008454815 556185251 /nfs/dbraw/zinc/18/52/51/556185251.db2.gz TVEAESGOBIRZPF-GFULKKFKSA-N 0 0 444.213 6.555 50 30 IKEARN C[C@@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1 ZINC000008456729 556186183 /nfs/dbraw/zinc/18/61/83/556186183.db2.gz YPWJUYSPRHECOD-ZCFIWIBFSA-N 0 0 438.315 5.151 50 30 IKEARN COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N\OC(=O)c1ccccc1Cl ZINC000008637219 556195375 /nfs/dbraw/zinc/19/53/75/556195375.db2.gz KUBMCSHKMMJCPB-HYARGMPZSA-N 0 0 437.970 5.444 50 30 IKEARN CCCCc1ccc(NC=NOC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000008648382 556195990 /nfs/dbraw/zinc/19/59/90/556195990.db2.gz KBDFZDQUNDOFHY-UHFFFAOYSA-N 0 0 446.391 6.587 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000008659733 556197286 /nfs/dbraw/zinc/19/72/86/556197286.db2.gz KNLCQTIEBLYWRY-WFFFFOTMSA-N 0 0 445.588 6.503 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000008706373 556201133 /nfs/dbraw/zinc/20/11/33/556201133.db2.gz WQIDKWJKTUGALS-NRFANRHFSA-N 0 0 445.321 5.739 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)ccc1Cl ZINC000008715759 556202014 /nfs/dbraw/zinc/20/20/14/556202014.db2.gz FEBHIZUUQWYEBB-DEOSSOPVSA-N 0 0 445.946 6.555 50 30 IKEARN O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000008715661 556202089 /nfs/dbraw/zinc/20/20/89/556202089.db2.gz FACFRSNELMLMHL-HXUWFJFHSA-N 0 0 440.337 5.360 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2/C=C/c1ccccc1 ZINC000008721447 556203027 /nfs/dbraw/zinc/20/30/27/556203027.db2.gz MEBYLSQVZSCHEG-VRAYXWLRSA-N 0 0 448.566 6.484 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008739493 556205898 /nfs/dbraw/zinc/20/58/98/556205898.db2.gz XSNZQLRHBCSYNV-FQEVSTJZSA-N 0 0 432.545 5.532 50 30 IKEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008742400 556207453 /nfs/dbraw/zinc/20/74/53/556207453.db2.gz QWEUJZVWVIGFFA-SFHVURJKSA-N 0 0 445.327 5.228 50 30 IKEARN N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Br)cc1F ZINC000008747784 556210069 /nfs/dbraw/zinc/21/00/69/556210069.db2.gz SPHGPQZGQGWSKW-YLPLBHSOSA-N 0 0 427.317 5.121 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)OCc1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000008748038 556210105 /nfs/dbraw/zinc/21/01/05/556210105.db2.gz WSDGGKBASRLSBF-HXUWFJFHSA-N 0 0 437.923 5.011 50 30 IKEARN CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008798214 556216464 /nfs/dbraw/zinc/21/64/64/556216464.db2.gz WKFPXJIIGDJQJX-MFKUBSTISA-N 0 0 439.968 5.638 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1=O ZINC000097474810 556216710 /nfs/dbraw/zinc/21/67/10/556216710.db2.gz MRRCQZJWNZPTSZ-YWEYNIOJSA-N 0 0 427.125 5.444 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000008818437 556218311 /nfs/dbraw/zinc/21/83/11/556218311.db2.gz KBIPPHDYJJXYAY-HHHXNRCGSA-N 0 0 445.607 5.942 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008827585 556224607 /nfs/dbraw/zinc/22/46/07/556224607.db2.gz ZYABHEFXDHFXBQ-QHCPKHFHSA-N 0 0 446.503 5.206 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C(F)(F)F)cc1 ZINC000008846697 556227148 /nfs/dbraw/zinc/22/71/48/556227148.db2.gz SWLSQKIALIIEJM-HFJWLAOPSA-N 0 0 448.488 6.993 50 30 IKEARN CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC ZINC000008860496 556228060 /nfs/dbraw/zinc/22/80/60/556228060.db2.gz LGOFBZUQIUVJFS-LOSJGSFVSA-N 0 0 427.714 6.666 50 30 in-vitro IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008914675 556231983 /nfs/dbraw/zinc/23/19/83/556231983.db2.gz IMYBGGKDASVCGA-HXUWFJFHSA-N 0 0 447.560 5.235 50 30 IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000008914674 556232040 /nfs/dbraw/zinc/23/20/40/556232040.db2.gz IMYBGGKDASVCGA-FQEVSTJZSA-N 0 0 447.560 5.235 50 30 IKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000008913997 556232072 /nfs/dbraw/zinc/23/20/72/556232072.db2.gz FVWWBSVRCAEWET-KMRXNPHXSA-N 0 0 438.527 5.616 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000008916831 556232838 /nfs/dbraw/zinc/23/28/38/556232838.db2.gz CQJJTUOODQCOMJ-MNNSJKJDSA-N 0 0 436.599 7.272 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1 ZINC000008916829 556232861 /nfs/dbraw/zinc/23/28/61/556232861.db2.gz CQJJTUOODQCOMJ-KPURRNSFSA-N 0 0 436.599 7.272 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 ZINC000008926757 556234410 /nfs/dbraw/zinc/23/44/10/556234410.db2.gz FXNBYLPGDWPUPX-CMJOXMDJSA-N 0 0 441.618 5.685 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccccc1 ZINC000008995930 556239400 /nfs/dbraw/zinc/23/94/00/556239400.db2.gz MMIBLOSSVCAZDX-UZTOHYMASA-N 0 0 426.491 5.746 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1 ZINC000009010454 556240894 /nfs/dbraw/zinc/24/08/94/556240894.db2.gz HGIGHMZGXILPRD-FPTDNZKUSA-N 0 0 427.953 5.245 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000009046709 556243034 /nfs/dbraw/zinc/24/30/34/556243034.db2.gz ZOUWHWFPLPEONG-JOCHJYFZSA-N 0 0 449.890 5.140 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009087962 556245836 /nfs/dbraw/zinc/24/58/36/556245836.db2.gz QEEOHGYJWWLBED-NRFANRHFSA-N 0 0 448.862 5.027 50 30 IKEARN CCOc1ccc(/N=C2/c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000009109098 556247086 /nfs/dbraw/zinc/24/70/86/556247086.db2.gz WDDHFCKHYYDBCB-ROMGYVFFSA-N 0 0 425.315 6.060 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC=CCc4ccccc4OC)c3c2C1 ZINC000009109773 556247427 /nfs/dbraw/zinc/24/74/27/556247427.db2.gz OQMKVRXONMWMOV-ZFNRIHGUSA-N 0 0 434.609 6.352 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000009113493 556247775 /nfs/dbraw/zinc/24/77/75/556247775.db2.gz VVLLUTNDRUIFPM-QMHKHESXSA-N 0 0 441.618 5.679 50 30 IKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC ZINC000009129833 556248872 /nfs/dbraw/zinc/24/88/72/556248872.db2.gz OJTUKUXDZSBQNV-VWLOTQADSA-N 0 0 448.563 5.503 50 30 IKEARN N=C(Cc1cccc2ccccc21)NOC(=O)N1c2ccccc2Sc2ccccc21 ZINC000009136834 556249165 /nfs/dbraw/zinc/24/91/65/556249165.db2.gz OUWGAZDEOWEFCB-UHFFFAOYSA-N 0 0 425.513 6.094 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000009241270 556266380 /nfs/dbraw/zinc/26/63/80/556266380.db2.gz GRPZPOJIPMCRJD-FQEVSTJZSA-N 0 0 439.298 5.167 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000009242712 556266729 /nfs/dbraw/zinc/26/67/29/556266729.db2.gz ZBQOOGVMABWGQS-XDHUDOTRSA-N 0 0 426.907 5.500 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000009246830 556267354 /nfs/dbraw/zinc/26/73/54/556267354.db2.gz PYYUUKYQCKCTOA-MRDQGFSESA-N 0 0 432.926 6.767 50 30 IKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 ZINC000009259665 556268006 /nfs/dbraw/zinc/26/80/06/556268006.db2.gz KRPIAXGVVQOJKF-LDADJPATSA-N 0 0 432.530 5.507 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000009261291 556268957 /nfs/dbraw/zinc/26/89/57/556268957.db2.gz IAHJEHCUERBSJE-BUVRLJJBSA-N 0 0 441.531 6.278 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000009264144 556270189 /nfs/dbraw/zinc/27/01/89/556270189.db2.gz YFWSVQLVBLNGDU-SANMLTNESA-N 0 0 449.381 7.174 50 30 IKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2ccccc2)cc1 ZINC000009264178 556270209 /nfs/dbraw/zinc/27/02/09/556270209.db2.gz JPLOWEVPXSUXRA-SANMLTNESA-N 0 0 439.515 5.908 50 30 IKEARN COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)C1CCCCC1 ZINC000009264184 556270355 /nfs/dbraw/zinc/27/03/55/556270355.db2.gz GDZACYRSGQJUCA-AREMUKBSSA-N 0 0 430.548 5.782 50 30 IKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O ZINC000009264314 556270413 /nfs/dbraw/zinc/27/04/13/556270413.db2.gz GHIOUXPTYCHIBO-QLXKLKPCSA-N 0 0 428.488 5.209 50 30 IKEARN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000009264372 556270431 /nfs/dbraw/zinc/27/04/31/556270431.db2.gz IZHRCDYDYOIOKV-LMKMVOKYSA-N 0 0 440.455 5.680 50 30 IKEARN CC1=Nc2ccccc2NC(=NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009281100 556272113 /nfs/dbraw/zinc/27/21/13/556272113.db2.gz FJOTZLTVHBWUEO-NRFANRHFSA-N 0 0 432.867 5.789 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 ZINC000009300557 556275850 /nfs/dbraw/zinc/27/58/50/556275850.db2.gz SWEXRNUITMYTMM-MHZLTWQESA-N 0 0 446.591 6.419 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(C#N)cc1 ZINC000009301155 556275917 /nfs/dbraw/zinc/27/59/17/556275917.db2.gz ZDMMAPDMIUEIRU-MHZLTWQESA-N 0 0 447.538 6.015 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC ZINC000009304657 556276181 /nfs/dbraw/zinc/27/61/81/556276181.db2.gz QXCHNEVRCWRNJA-JXKYSLRESA-N 0 0 444.556 5.816 50 30 IKEARN Cc1cc(C=NNc2ccc(I)cc2)c(C)n1-c1ccc(C)cc1 ZINC000009311802 556279960 /nfs/dbraw/zinc/27/99/60/556279960.db2.gz RTQVYIYYVIEATR-LPYMAVHISA-N 0 0 429.305 5.453 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009329780 556282613 /nfs/dbraw/zinc/28/26/13/556282613.db2.gz AJODGYLCVPQYID-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009329990 556282676 /nfs/dbraw/zinc/28/26/76/556282676.db2.gz DKCUPIRPNJGSAE-QFIPXVFZSA-N 0 0 435.907 5.835 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009363607 556285835 /nfs/dbraw/zinc/28/58/35/556285835.db2.gz YPIBYYRTHJTVPV-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(F)cc1 ZINC000009425505 556289959 /nfs/dbraw/zinc/28/99/59/556289959.db2.gz WVGDDYBEUJOQAA-JFLMPSFJSA-N 0 0 447.535 6.291 50 30 IKEARN CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000009461713 556293155 /nfs/dbraw/zinc/29/31/55/556293155.db2.gz TZKRCBPRLXRXGF-ZNUIVASASA-N 0 0 449.668 6.525 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C ZINC000009482472 556294197 /nfs/dbraw/zinc/29/41/97/556294197.db2.gz YBSFSPPJDDCCAC-VWLOTQADSA-N 0 0 434.584 5.452 50 30 IKEARN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3)C2)cc1 ZINC000009546510 556297351 /nfs/dbraw/zinc/29/73/51/556297351.db2.gz ACPGPSJEZKUOPU-RBISFHTESA-N 0 0 433.555 6.575 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000009546498 556297403 /nfs/dbraw/zinc/29/74/03/556297403.db2.gz BZZXKWMOGQKOBW-CMJOXMDJSA-N 0 0 431.948 6.167 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)c1 ZINC000009559867 556298544 /nfs/dbraw/zinc/29/85/44/556298544.db2.gz VBOMNYVAOUBMGG-WBMJQRKESA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009559874 556298578 /nfs/dbraw/zinc/29/85/78/556298578.db2.gz ZYDCFFHSFVTXPW-YVEFUNNKSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)c1 ZINC000009559995 556299119 /nfs/dbraw/zinc/29/91/19/556299119.db2.gz DQMUKBLCFGBICH-CZUORRHYSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000009560022 556299209 /nfs/dbraw/zinc/29/92/09/556299209.db2.gz XNQSIZHVUSNFFG-ZFWWWQNUSA-N 0 0 446.330 5.015 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)ccc1O ZINC000013756589 556300829 /nfs/dbraw/zinc/30/08/29/556300829.db2.gz IYDGWTBAMOSAAW-BRJLIKDPSA-N 0 0 439.302 5.764 50 30 IKEARN CCCCCC(=O)Oc1c(/C=N/N(c2ccccc2)c2ccccc2)sc2ccccc21 ZINC000013765660 556302862 /nfs/dbraw/zinc/30/28/62/556302862.db2.gz QCTOADIMOIZILZ-VFCFBJKWSA-N 0 0 442.584 7.559 50 30 IKEARN COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c(OC)c1 ZINC000013838856 556317215 /nfs/dbraw/zinc/31/72/15/556317215.db2.gz UUXGPJGDKDEHSK-XMMPIXPASA-N 0 0 425.488 5.334 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1 ZINC000009934355 556318160 /nfs/dbraw/zinc/31/81/60/556318160.db2.gz RNCCSISZHQBOIK-XRHLQHRESA-N 0 0 442.515 5.599 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC ZINC000009972234 556319761 /nfs/dbraw/zinc/31/97/61/556319761.db2.gz VOONULXUNBRPOD-MQNRADLISA-N 0 0 446.503 5.285 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000009993325 556320050 /nfs/dbraw/zinc/32/00/50/556320050.db2.gz PESMSLZLKCJSHT-HXUWFJFHSA-N 0 0 430.460 5.218 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC ZINC000009982679 556320088 /nfs/dbraw/zinc/32/00/88/556320088.db2.gz QSWKHWCARMUOIP-IERDGZPVSA-N 0 0 439.602 5.313 50 30 IKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013763 556322677 /nfs/dbraw/zinc/32/26/77/556322677.db2.gz PONHLWOSHSALCG-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccc(Cl)cc2)cc1 ZINC000010035299 556323049 /nfs/dbraw/zinc/32/30/49/556323049.db2.gz XUAGXEOBLFQHEV-DWXRJYCRSA-N 0 0 447.987 7.008 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccc(Cl)cc2)cc1 ZINC000010035301 556323060 /nfs/dbraw/zinc/32/30/60/556323060.db2.gz XUAGXEOBLFQHEV-QYBDOPJKSA-N 0 0 447.987 7.008 50 30 IKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000010035317 556323150 /nfs/dbraw/zinc/32/31/50/556323150.db2.gz KDUKQIGZEHYLQG-OYLFLEFRSA-N 0 0 432.907 6.000 50 30 IKEARN CCCOc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC ZINC000010059699 556324069 /nfs/dbraw/zinc/32/40/69/556324069.db2.gz NNIBIDYEKKSCLP-SANMLTNESA-N 0 0 429.541 6.351 50 30 IKEARN CCOCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1 ZINC000013881435 556326273 /nfs/dbraw/zinc/32/62/73/556326273.db2.gz AIQYXDWFYMPQRS-PFMNSIPKSA-N 0 0 432.545 5.489 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1C ZINC000013881565 556326282 /nfs/dbraw/zinc/32/62/82/556326282.db2.gz HXPAHSAEJQQVQZ-UNOMPAQXSA-N 0 0 446.557 5.816 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)s1 ZINC000013893774 556327996 /nfs/dbraw/zinc/32/79/96/556327996.db2.gz JFKLCDVPSGHJRM-JOCHJYFZSA-N 0 0 438.390 6.973 50 30 IKEARN O=[N+]([O-])c1ccc(OCCCOc2ccccc2)c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000013898932 556330893 /nfs/dbraw/zinc/33/08/93/556330893.db2.gz CIMPAWGZUMXNIW-LFVJCYFKSA-N 0 0 448.504 5.498 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 ZINC000013899607 556331210 /nfs/dbraw/zinc/33/12/10/556331210.db2.gz JCUQFBSGJBJVSM-PDGQHHTCSA-N 0 0 448.529 5.207 50 30 IKEARN Clc1ccc(COc2ccc3ccccc3c2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000013940436 556337871 /nfs/dbraw/zinc/33/78/71/556337871.db2.gz GBFDQSOTDLFJPL-JFLMPSFJSA-N 0 0 443.959 7.128 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(C(C)(C)C)cc2)C1=O ZINC000013941937 556338873 /nfs/dbraw/zinc/33/88/73/556338873.db2.gz JNHVMCJKEAPXRS-RGEXLXHISA-N 0 0 441.980 6.181 50 30 IKEARN CNc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)cc1 ZINC000032816939 556393053 /nfs/dbraw/zinc/39/30/53/556393053.db2.gz UZPHVHRVKJFAAY-NRFANRHFSA-N 0 0 433.943 5.298 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\N=C/c1ccccc1 ZINC000032623426 556410701 /nfs/dbraw/zinc/41/07/01/556410701.db2.gz CHGTZCQDZPMJEW-ODLUWJAMSA-N 0 0 438.556 5.590 50 30 IKEARN COc1cc(C(=O)/C(=C/c2sccc2C)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000032642230 556412245 /nfs/dbraw/zinc/41/22/45/556412245.db2.gz AHSBXKMJQWJRAZ-SSZFMOIBSA-N 0 0 434.517 5.382 50 30 IKEARN Cc1ccc(Sc2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032828857 556413243 /nfs/dbraw/zinc/41/32/43/556413243.db2.gz HYCGMZNNNSECJW-NRFANRHFSA-N 0 0 449.532 5.267 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Sc2ccccc2)cc1 ZINC000032828687 556413264 /nfs/dbraw/zinc/41/32/64/556413264.db2.gz WCNUAQCIHVQXMH-OAQYLSRUSA-N 0 0 431.542 5.128 50 30 IKEARN CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C ZINC000032672371 556415024 /nfs/dbraw/zinc/41/50/24/556415024.db2.gz YCFXQLNAAFVZPJ-NSHDSACASA-N 0 0 441.862 5.256 50 30 IKEARN CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C ZINC000032672369 556415064 /nfs/dbraw/zinc/41/50/64/556415064.db2.gz YCFXQLNAAFVZPJ-LLVKDONJSA-N 0 0 441.862 5.256 50 30 IKEARN O=C(C1=CN[C@H](c2nc(-c3cccnc3)cs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000004398547 556416258 /nfs/dbraw/zinc/41/62/58/556416258.db2.gz ZUCDXCDTCAMUQB-PKTZIBPZSA-N 0 0 443.959 6.053 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1ccccc1 ZINC000014605392 556429234 /nfs/dbraw/zinc/42/92/34/556429234.db2.gz LGPDOZODHGTGEC-HHHXNRCGSA-N 0 0 443.591 5.362 50 30 IKEARN O=C1/C(=C/c2ccc(Br)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015015881 556485069 /nfs/dbraw/zinc/48/50/69/556485069.db2.gz RPATUCQHNBLEPW-PJICLEDRSA-N 0 0 425.307 5.851 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1Cl ZINC000015016563 556485754 /nfs/dbraw/zinc/48/57/54/556485754.db2.gz KTHSSYVEJXEAMZ-ODLFYWEKSA-N 0 0 429.328 6.453 50 30 IKEARN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)c1 ZINC000015018566 556487191 /nfs/dbraw/zinc/48/71/91/556487191.db2.gz YLAFORKVHYADGE-XDHOZWIPSA-N 0 0 438.892 5.278 50 30 IKEARN Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccc(C)c(C)c1 ZINC000015018562 556487208 /nfs/dbraw/zinc/48/72/08/556487208.db2.gz NRIDPLRUNPLEBB-UVHMKAGCSA-N 0 0 430.577 5.243 50 30 IKEARN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000015054363 556490167 /nfs/dbraw/zinc/49/01/67/556490167.db2.gz BJKOPLOZQDQIOT-DEVZUPFRSA-N 0 0 440.568 5.975 50 30 IKEARN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000015081084 556501154 /nfs/dbraw/zinc/50/11/54/556501154.db2.gz OJPIWRXLXMPYGY-ZNZIZOMTSA-N 0 0 438.527 5.117 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1c(C)cccc1C ZINC000015187932 556509805 /nfs/dbraw/zinc/50/98/05/556509805.db2.gz LPDAQFYGEIOTBQ-VAWYXSNFSA-N 0 0 444.478 6.359 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000015303965 556517122 /nfs/dbraw/zinc/51/71/22/556517122.db2.gz LLNRKJFJWZESND-SIBVEZHUSA-N 0 0 448.488 6.993 50 30 IKEARN Cc1cccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c1 ZINC000003082617 556518650 /nfs/dbraw/zinc/51/86/50/556518650.db2.gz MUWALAUZTCLUDC-WYMPLXKRSA-N 0 0 429.259 6.180 50 30 IKEARN Cc1cccc(C(=O)Nc2ccccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 ZINC000003079997 556518671 /nfs/dbraw/zinc/51/86/71/556518671.db2.gz FCEMVQOAXPYAMU-UHFFFAOYSA-N 0 0 441.318 5.797 50 30 IKEARN CCC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000003083653 556518686 /nfs/dbraw/zinc/51/86/86/556518686.db2.gz ITZRYUJKLJAVHQ-NEZLHVBRSA-N 0 0 437.370 8.456 50 30 IKEARN Cc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1C ZINC000003081510 556518690 /nfs/dbraw/zinc/51/86/90/556518690.db2.gz ABOSHFVVARWTRU-OCHMLHLXSA-N 0 0 434.333 6.435 50 30 IKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000003089335 556519261 /nfs/dbraw/zinc/51/92/61/556519261.db2.gz JESWEOYXVXZQRP-BRJLIKDPSA-N 0 0 443.286 6.488 50 30 IKEARN Cc1cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c(O)c(Br)c1C ZINC000003087343 556519659 /nfs/dbraw/zinc/51/96/59/556519659.db2.gz SSUVVFZDIWKZGY-WYMPLXKRSA-N 0 0 437.362 6.799 50 30 IKEARN CCCCCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003094768 556520463 /nfs/dbraw/zinc/52/04/63/556520463.db2.gz HHLQQURILQTTOH-JJKYIXSRSA-N 0 0 437.587 7.639 50 30 IKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2ccccn2)n1 ZINC000032893082 556520755 /nfs/dbraw/zinc/52/07/55/556520755.db2.gz VPQVDDYDBCGSRZ-UHFFFAOYSA-N 0 0 435.578 5.162 50 30 IKEARN O=C(Nc1ccccc1C(F)(F)F)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000003103342 556522855 /nfs/dbraw/zinc/52/28/55/556522855.db2.gz DAFYLSREFNVIMO-UHFFFAOYSA-N 0 0 446.269 5.727 50 30 IKEARN Cc1ccc(S(=O)(=O)N/N=C(/Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 ZINC000015637007 556539636 /nfs/dbraw/zinc/53/96/36/556539636.db2.gz FZSZHDGXRAIPAP-DQSJHHFOSA-N 0 0 440.568 5.587 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)ccc1O ZINC000032614494 556542530 /nfs/dbraw/zinc/54/25/30/556542530.db2.gz FPPIIWYNXSKSHB-YSMPRRRNSA-N 0 0 430.895 5.624 50 30 IKEARN Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000015769106 556549792 /nfs/dbraw/zinc/54/97/92/556549792.db2.gz JTKVWSABDAHHAV-VLSFKVKESA-N 0 0 440.455 5.086 50 30 IKEARN CC(=O)N(c1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1 ZINC000072305321 556550545 /nfs/dbraw/zinc/55/05/45/556550545.db2.gz QBXBEBVLSQZLFW-DQEYMECFSA-N 0 0 444.604 5.716 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1cccs1 ZINC000015826297 556554273 /nfs/dbraw/zinc/55/42/73/556554273.db2.gz HNFFZLOPTYTOMB-QFIPXVFZSA-N 0 0 434.586 6.266 50 30 IKEARN C/C(=N\N(c1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1)c1ccc(Cl)cc1 ZINC000033630489 556566551 /nfs/dbraw/zinc/56/65/51/556566551.db2.gz PLXKJFWPOVOXNG-WGOQTCKBSA-N 0 0 448.935 6.934 50 30 IKEARN Cc1ccsc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 ZINC000015945603 556566793 /nfs/dbraw/zinc/56/67/93/556566793.db2.gz RPSZMEKANDWJCC-CIRUFVMISA-N 0 0 436.646 7.272 50 30 IKEARN C=CCn1cnnc1Sc1nc(CSc2ccccc2)nc2sc(C)c(C)c21 ZINC000032909011 556566799 /nfs/dbraw/zinc/56/67/99/556566799.db2.gz LAXZBTGALVNSSU-UHFFFAOYSA-N 0 0 425.608 5.529 50 30 IKEARN N#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 ZINC000015981203 556570882 /nfs/dbraw/zinc/57/08/82/556570882.db2.gz VYDHBACIMLOFSS-AREMUKBSSA-N 0 0 429.350 7.159 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(C)cc2)c1C ZINC000032971634 556589352 /nfs/dbraw/zinc/58/93/52/556589352.db2.gz UBOIRUFTVMQWOP-UHFFFAOYSA-N 0 0 445.611 5.524 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c1C ZINC000032972027 556589832 /nfs/dbraw/zinc/58/98/32/556589832.db2.gz WJZRYPURRBCPAQ-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1cc(C)cc(C)c1)NCc1c(C)nn(CC)c1C ZINC000032972042 556589846 /nfs/dbraw/zinc/58/98/46/556589846.db2.gz RHFUJYTXYBAUQT-UHFFFAOYSA-N 0 0 431.584 5.097 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(OC)cc2)Nc2ccc(C(C)C)cc2)c1C ZINC000032972252 556590095 /nfs/dbraw/zinc/59/00/95/556590095.db2.gz WJHLAQASWDSGQH-UHFFFAOYSA-N 0 0 447.583 5.050 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cccc(C)c1 ZINC000032972320 556590335 /nfs/dbraw/zinc/59/03/35/556590335.db2.gz VTKXRCJRVKAGCL-UHFFFAOYSA-N 0 0 431.584 5.041 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1c(C)nn(C)c1C ZINC000032972325 556590667 /nfs/dbraw/zinc/59/06/67/556590667.db2.gz VTFVMFRVUXIOTF-UHFFFAOYSA-N 0 0 445.611 5.295 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccc(C(C)C)cc1 ZINC000032972350 556590682 /nfs/dbraw/zinc/59/06/82/556590682.db2.gz VQHYJTDEIZYCLQ-UHFFFAOYSA-N 0 0 437.975 5.212 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1cc(Cl)ccc1C ZINC000032972339 556590739 /nfs/dbraw/zinc/59/07/39/556590739.db2.gz BZHSENCLCRDZLL-UHFFFAOYSA-N 0 0 444.366 5.050 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cc(C)cc(C)c1 ZINC000032972328 556590751 /nfs/dbraw/zinc/59/07/51/556590751.db2.gz XUXRRTNKRLTSNW-UHFFFAOYSA-N 0 0 445.611 5.349 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(OCC)cc2)c(C)n1 ZINC000032972767 556591211 /nfs/dbraw/zinc/59/12/11/556591211.db2.gz TYNQCNXKLPIZIX-UHFFFAOYSA-N 0 0 447.583 5.015 50 30 IKEARN COc1ccc(C(=O)CC(=CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000016216097 556591889 /nfs/dbraw/zinc/59/18/89/556591889.db2.gz ZSSXBNVKMBKHSS-SILNSSARSA-N 0 0 435.317 5.997 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cccc(C)c2C)c(C)n1 ZINC000032973028 556591936 /nfs/dbraw/zinc/59/19/36/556591936.db2.gz CPRGDGIXYFESAS-UHFFFAOYSA-N 0 0 435.547 5.064 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c(C)n1 ZINC000032973025 556591946 /nfs/dbraw/zinc/59/19/46/556591946.db2.gz WSKRQVABBASWJS-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2ccccc2CC)c(C)n1 ZINC000032972974 556591973 /nfs/dbraw/zinc/59/19/73/556591973.db2.gz ZOMLUJMHUHWOBA-UHFFFAOYSA-N 0 0 437.975 5.215 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(SC)c2)c(C)n1 ZINC000032973002 556592016 /nfs/dbraw/zinc/59/20/16/556592016.db2.gz QZTRYEGESVSBSQ-UHFFFAOYSA-N 0 0 449.624 5.338 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c(C)n1 ZINC000032972924 556592648 /nfs/dbraw/zinc/59/26/48/556592648.db2.gz LXVFUTZXAIPHKB-UHFFFAOYSA-N 0 0 431.584 5.431 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccc(C)cc2C)c1C ZINC000032973225 556593669 /nfs/dbraw/zinc/59/36/69/556593669.db2.gz JUCWFCLVLWSJNL-UHFFFAOYSA-N 0 0 449.574 5.025 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)cc2)Nc2ccc(C(C)C)cc2)c1C ZINC000032973292 556593706 /nfs/dbraw/zinc/59/37/06/556593706.db2.gz JJMZCXBMYAUZLX-UHFFFAOYSA-N 0 0 445.611 5.392 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)cc(C)c2)c1C ZINC000032973378 556594147 /nfs/dbraw/zinc/59/41/47/556594147.db2.gz JWAYPNPBRZGKML-UHFFFAOYSA-N 0 0 449.574 5.025 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)o1 ZINC000016294220 556598884 /nfs/dbraw/zinc/59/88/84/556598884.db2.gz OYBXZWOJWFPKQS-AFMDSPMNSA-N 0 0 443.499 5.286 50 30 IKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000016293773 556598900 /nfs/dbraw/zinc/59/89/00/556598900.db2.gz VUTUFMZWYNJASA-XMMPIXPASA-N 0 0 446.616 5.960 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984175 556603503 /nfs/dbraw/zinc/60/35/03/556603503.db2.gz FHOOWJKUIMCEAS-UHFFFAOYSA-N 0 0 443.446 5.664 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984430 556603823 /nfs/dbraw/zinc/60/38/23/556603823.db2.gz FEVXEROXWAKSRC-UHFFFAOYSA-N 0 0 425.456 5.231 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(F)c(F)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984275 556603999 /nfs/dbraw/zinc/60/39/99/556603999.db2.gz LCEZHEPHUXDBGN-UHFFFAOYSA-N 0 0 425.456 5.231 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984357 556604222 /nfs/dbraw/zinc/60/42/22/556604222.db2.gz ODMMMSODBSQUSQ-UHFFFAOYSA-N 0 0 427.884 5.437 50 30 IKEARN Cc1occc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1 ZINC000016400340 556605448 /nfs/dbraw/zinc/60/54/48/556605448.db2.gz BVPYNRHZHDUECJ-UHFFFAOYSA-N 0 0 429.288 5.061 50 30 IKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000016429473 556607285 /nfs/dbraw/zinc/60/72/85/556607285.db2.gz KKEWDDSIGZQNBQ-OAHLVZFQSA-N 0 0 436.714 6.621 50 30 IKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000016449133 556608997 /nfs/dbraw/zinc/60/89/97/556608997.db2.gz HLPMRGINIQLOSN-ZDLGFXPLSA-N 0 0 449.746 6.798 50 30 IKEARN Cc1ccc2c(c1)N[C@@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000016474313 556609940 /nfs/dbraw/zinc/60/99/40/556609940.db2.gz UJZANIZMWMDRKJ-NRFANRHFSA-N 0 0 427.342 5.685 50 30 IKEARN Fc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1 ZINC000016513052 556613201 /nfs/dbraw/zinc/61/32/01/556613201.db2.gz AGENSSCHPZMKAA-CVKSISIWSA-N 0 0 447.311 6.158 50 30 IKEARN COc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000016677598 556622637 /nfs/dbraw/zinc/62/26/37/556622637.db2.gz MKKRSXDVXPKKDA-ZVHZXABRSA-N 0 0 433.309 5.514 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)c(C)c1 ZINC000033736504 556627752 /nfs/dbraw/zinc/62/77/52/556627752.db2.gz WKOKHHOWWHAYEC-DSITVLBTSA-N 0 0 435.552 5.649 50 30 IKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2ccc(Br)cc2)cc1 ZINC000033751103 556630521 /nfs/dbraw/zinc/63/05/21/556630521.db2.gz FUQUXEHIZBCOBC-JVWAILMASA-N 0 0 446.392 6.895 50 30 IKEARN O=[N+]([O-])c1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1 ZINC000033770006 556633284 /nfs/dbraw/zinc/63/32/84/556633284.db2.gz PVDHHCYITVVQQC-UUYOSTAYSA-N 0 0 437.253 5.612 50 30 IKEARN Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 ZINC000016739194 556634030 /nfs/dbraw/zinc/63/40/30/556634030.db2.gz LFPHMBOIEXIZCV-FPEJUQHSSA-N 0 0 429.545 5.468 50 30 IKEARN Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1 ZINC000016739924 556634310 /nfs/dbraw/zinc/63/43/10/556634310.db2.gz KNMWUNAGRZAPMY-XTCLZLMSSA-N 0 0 447.581 5.662 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016741221 556634910 /nfs/dbraw/zinc/63/49/10/556634910.db2.gz GKWWIEPEERDZRD-DEOSSOPVSA-N 0 0 444.506 5.431 50 30 IKEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2 ZINC000016741243 556634916 /nfs/dbraw/zinc/63/49/16/556634916.db2.gz JIORRJCEISULCP-UCQKPKSFSA-N 0 0 440.430 5.081 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccncc2)cc1 ZINC000016741315 556635175 /nfs/dbraw/zinc/63/51/75/556635175.db2.gz NOJQMHIZVDVQQG-NRFANRHFSA-N 0 0 441.512 5.091 50 30 IKEARN Cc1ccc(CN=Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1 ZINC000016751374 556637505 /nfs/dbraw/zinc/63/75/05/556637505.db2.gz QEHLAPSZERQTKB-CVKSISIWSA-N 0 0 430.508 5.956 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3OC)N(c3ccccc3OC)C2=O)cc1 ZINC000016769993 556640426 /nfs/dbraw/zinc/64/04/26/556640426.db2.gz XOMWYVHPOKFGDA-JTUXUYRKSA-N 0 0 446.528 5.521 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)cc2Cl)nc(-c2cccs2)cc1C(F)(F)F ZINC000016805389 556643373 /nfs/dbraw/zinc/64/33/73/556643373.db2.gz QKHPCAIWCXTCTM-UHFFFAOYSA-N 0 0 445.318 7.300 50 30 IKEARN CCOC(=O)Nc1sc(N=NCc2ccc(OC)c(OC)c2)nc1-c1ccc(C)cc1 ZINC000016806342 556644006 /nfs/dbraw/zinc/64/40/06/556644006.db2.gz GCYUBPBECAKGEB-YDZHTSKRSA-N 0 0 440.525 5.150 50 30 IKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1 ZINC000016807380 556644481 /nfs/dbraw/zinc/64/44/81/556644481.db2.gz GDPKHQIRNMEXRX-OAQYLSRUSA-N 0 0 443.572 5.244 50 30 IKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1 ZINC000016807381 556644489 /nfs/dbraw/zinc/64/44/89/556644489.db2.gz GDPKHQIRNMEXRX-NRFANRHFSA-N 0 0 443.572 5.244 50 30 IKEARN CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccc(Cl)cc2)C12CCCCC2 ZINC000100687068 556649077 /nfs/dbraw/zinc/64/90/77/556649077.db2.gz PFTDZGBGMCQDIG-ROMGYVFFSA-N 0 0 426.029 7.183 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016944382 556649522 /nfs/dbraw/zinc/64/95/22/556649522.db2.gz KRKPXPKHYCRIDG-HSZRJFAPSA-N 0 0 426.516 5.470 50 30 IKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)c1 ZINC000016960304 556651101 /nfs/dbraw/zinc/65/11/01/556651101.db2.gz MAHQIFUZWWHCIF-HXUWFJFHSA-N 0 0 445.544 5.048 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(Cl)ccc1C ZINC000017084968 556657086 /nfs/dbraw/zinc/65/70/86/556657086.db2.gz SMPFGNYZGGTKIK-HZYJKNPPSA-N 0 0 441.984 5.412 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1cc(C)ccc1C ZINC000017084975 556657123 /nfs/dbraw/zinc/65/71/23/556657123.db2.gz JKBFETATFPMYJS-UOODYVSWSA-N 0 0 441.984 5.412 50 30 IKEARN CC(C)CCOc1ccccc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000017095213 556658606 /nfs/dbraw/zinc/65/86/06/556658606.db2.gz VRTFNNFKISUCDX-MFKUBSTISA-N 0 0 426.969 6.829 50 30 IKEARN Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1Cl ZINC000003113849 556659361 /nfs/dbraw/zinc/65/93/61/556659361.db2.gz OFARFWZYKOJIGL-KIBLKLHPSA-N 0 0 436.125 7.859 50 30 IKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003323465 556660779 /nfs/dbraw/zinc/66/07/79/556660779.db2.gz ZMWSLDLFNXPIOB-UHFFFAOYSA-N 0 0 432.420 7.028 50 30 IKEARN CC(C)CCOc1ccc(Cl)cc1/C=N/c1sccc1C(=O)NCc1ccco1 ZINC000017097275 556661413 /nfs/dbraw/zinc/66/14/13/556661413.db2.gz GSOMPKAOAJHNGJ-DHRITJCHSA-N 0 0 430.957 6.100 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)cc3C)c2c1 ZINC000011866452 556666443 /nfs/dbraw/zinc/66/64/43/556666443.db2.gz HFUPFRNQLFKNMY-UHFFFAOYSA-N 0 0 441.527 6.932 50 30 IKEARN C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000011866363 556666541 /nfs/dbraw/zinc/66/65/41/556666541.db2.gz SMFFDQTZIAORDX-UHFFFAOYSA-N 0 0 435.398 5.705 50 30 IKEARN CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccs3)C4=O)c2c1 ZINC000011868688 556667513 /nfs/dbraw/zinc/66/75/13/556667513.db2.gz PDVMNHZCDQBURL-XKZIYDEJSA-N 0 0 446.480 6.037 50 30 IKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000017121679 556668297 /nfs/dbraw/zinc/66/82/97/556668297.db2.gz PDRVXBFJQMIYBD-GOSISDBHSA-N 0 0 443.638 5.479 50 30 IKEARN CCCCCCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000100775089 556669332 /nfs/dbraw/zinc/66/93/32/556669332.db2.gz NWZNBZSAZDRIRO-UHFFFAOYSA-N 0 0 429.568 5.305 50 30 IKEARN Cc1ccc(NC(=NCc2ccccc2)C(=NCc2ccccc2)Nc2ccc(C)cc2)cc1 ZINC000017154953 556670584 /nfs/dbraw/zinc/67/05/84/556670584.db2.gz FBNCLDSMUISCDV-UHFFFAOYSA-N 0 0 446.598 6.643 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000017163334 556670774 /nfs/dbraw/zinc/67/07/74/556670774.db2.gz WIELBMCPGVDHMH-RUZDIDTESA-N 0 0 436.983 6.529 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000017189571 556672257 /nfs/dbraw/zinc/67/22/57/556672257.db2.gz BPTXLLNOTVPMHX-IBGZPJMESA-N 0 0 449.963 5.692 50 30 IKEARN O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000017189614 556672288 /nfs/dbraw/zinc/67/22/88/556672288.db2.gz HYXHVBPDTHCYGJ-IBGZPJMESA-N 0 0 433.508 5.178 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(C(C)(C)C)s2)C2=C(CCCC2=O)N1 ZINC000010013789 556672319 /nfs/dbraw/zinc/67/23/19/556672319.db2.gz WPLZZPUOMLGFGI-QHCPKHFHSA-N 0 0 438.568 5.791 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2cccs2)C1 ZINC000017242664 556674137 /nfs/dbraw/zinc/67/41/37/556674137.db2.gz HROHJEXCQGKFLP-LJQANCHMSA-N 0 0 440.569 5.429 50 30 IKEARN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000003113926 556675674 /nfs/dbraw/zinc/67/56/74/556675674.db2.gz JWLIHQSSWUJKOG-YSURURNPSA-N 0 0 445.675 6.506 50 30 IKEARN N#Cc1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000032932340 556675681 /nfs/dbraw/zinc/67/56/81/556675681.db2.gz ZLMHMGXECIMAPD-UHFFFAOYSA-N 0 0 427.485 5.213 50 30 IKEARN C[C@@H](C1CC1)N(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000032936594 556678737 /nfs/dbraw/zinc/67/87/37/556678737.db2.gz GTJFFOHTJCDLHS-INIZCTEOSA-N 0 0 442.485 5.020 50 30 IKEARN O=C1CCCC/C1=C1/SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000018068355 556682826 /nfs/dbraw/zinc/68/28/26/556682826.db2.gz UQFVZTVHLXGIEC-ZSQRUOPRSA-N 0 0 437.568 7.055 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000018087184 556683656 /nfs/dbraw/zinc/68/36/56/556683656.db2.gz RATJMDPSPXRKRM-DEOSSOPVSA-N 0 0 430.548 5.246 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000018105951 556683913 /nfs/dbraw/zinc/68/39/13/556683913.db2.gz SCWZXRJKQSEGEU-SANMLTNESA-N 0 0 440.518 6.283 50 30 IKEARN Cc1nc(NC(N)=NC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc12 ZINC000018106315 556684218 /nfs/dbraw/zinc/68/42/18/556684218.db2.gz ROXRIQSMIMDHJW-UHFFFAOYSA-N 0 0 426.505 5.088 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000018137674 556684709 /nfs/dbraw/zinc/68/47/09/556684709.db2.gz FCTUPJZLWWGATE-NFQMXDRXSA-N 0 0 426.491 5.746 50 30 IKEARN Cc1cc(C)nc(N=C(NC(=O)C(C)C)Nc2cc(Cl)ccc2Oc2ccccc2)n1 ZINC000018136795 556684763 /nfs/dbraw/zinc/68/47/63/556684763.db2.gz KHDQOOOELMMNJI-UHFFFAOYSA-N 0 0 437.931 6.251 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 ZINC000226762922 556685443 /nfs/dbraw/zinc/68/54/43/556685443.db2.gz GFHOXAKMFHPFGJ-HHHXNRCGSA-N 0 0 442.534 6.627 50 30 IKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c(C)c1Cl ZINC000003114343 556685944 /nfs/dbraw/zinc/68/59/44/556685944.db2.gz RUQNFYSEUAQKPE-CCVNUDIWSA-N 0 0 432.951 7.519 50 30 IKEARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1ccco1 ZINC000018219497 556687325 /nfs/dbraw/zinc/68/73/25/556687325.db2.gz WAPNHCQFZGTYRX-PUAOIOHZSA-N 0 0 428.488 5.355 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000018250734 556688421 /nfs/dbraw/zinc/68/84/21/556688421.db2.gz AKKBVQSJPCVNPB-CRICUBBOSA-N 0 0 432.520 5.808 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000018254425 556688447 /nfs/dbraw/zinc/68/84/47/556688447.db2.gz OKIUYZMDIWMXOC-XMMPIXPASA-N 0 0 432.520 5.026 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000018250732 556688461 /nfs/dbraw/zinc/68/84/61/556688461.db2.gz AKKBVQSJPCVNPB-NSYGIPOTSA-N 0 0 432.520 5.808 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018284767 556688957 /nfs/dbraw/zinc/68/89/57/556688957.db2.gz WWSSKWKAQOULIF-MUUNZHRXSA-N 0 0 438.571 7.318 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000018324215 556689602 /nfs/dbraw/zinc/68/96/02/556689602.db2.gz MMJIPLSDWUQPEK-MHZLTWQESA-N 0 0 445.607 6.086 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccccc3)C2)cc1 ZINC000018324463 556689631 /nfs/dbraw/zinc/68/96/31/556689631.db2.gz CHAKSZGALGQIOW-LYZGTLIUSA-N 0 0 438.527 5.616 50 30 IKEARN CC(C)(C)c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000018324071 556689663 /nfs/dbraw/zinc/68/96/63/556689663.db2.gz HVSHJMSHWGEBHG-RUZDIDTESA-N 0 0 446.635 7.209 50 30 IKEARN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000018324507 556689729 /nfs/dbraw/zinc/68/97/29/556689729.db2.gz HEQSNBCMHSCOIC-DEOSSOPVSA-N 0 0 436.552 5.551 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033026461 556703452 /nfs/dbraw/zinc/70/34/52/556703452.db2.gz CEDOFBNGFVTUKT-GTJPDFRWSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c12 ZINC000013642183 556705439 /nfs/dbraw/zinc/70/54/39/556705439.db2.gz UQQHBSRCMXZVFN-UHFFFAOYSA-N 0 0 434.546 5.714 50 30 IKEARN N#Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000072328621 556726167 /nfs/dbraw/zinc/72/61/67/556726167.db2.gz PIPHGGVWHBEKPJ-UHFFFAOYSA-N 0 0 442.881 5.112 50 30 IKEARN Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2/C=C\C(=O)c2ccccc2)cc1 ZINC000033924529 556733047 /nfs/dbraw/zinc/73/30/47/556733047.db2.gz SWUMXSRWWQVLQO-SFPUGHMZSA-N 0 0 434.560 7.431 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000013813669 556744134 /nfs/dbraw/zinc/74/41/34/556744134.db2.gz CKVDPHQYKOMKDF-QKKBWIMNSA-N 0 0 449.436 5.194 50 30 IKEARN Cc1cccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)c1 ZINC000013476259 556748531 /nfs/dbraw/zinc/74/85/31/556748531.db2.gz JYYFHGHXLBILGC-SFHVURJKSA-N 0 0 442.799 5.345 50 30 IKEARN CCCCCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N ZINC000005318697 556763079 /nfs/dbraw/zinc/76/30/79/556763079.db2.gz LAABJFUNHVYQRQ-UHFFFAOYSA-N 0 0 433.899 5.229 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535388 556793881 /nfs/dbraw/zinc/79/38/81/556793881.db2.gz IENQBFXOQIWOAP-QHCPKHFHSA-N 0 0 435.951 5.687 50 30 IKEARN COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000019535994 556794042 /nfs/dbraw/zinc/79/40/42/556794042.db2.gz CYJHZDKJBSGMPD-DEOSSOPVSA-N 0 0 431.532 5.043 50 30 IKEARN CCCCCCCCn1c(SCc2c(C)noc2C)nnc1-c1ccc(Cl)cc1 ZINC000003329850 556812522 /nfs/dbraw/zinc/81/25/22/556812522.db2.gz XAVVHWLCMJCMOD-UHFFFAOYSA-N 0 0 433.021 6.856 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc(CC)cc2c1=O ZINC000003526072 556817074 /nfs/dbraw/zinc/81/70/74/556817074.db2.gz ONMQPSWEPLGENZ-UHFFFAOYSA-N 0 0 427.595 5.061 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000034379249 556825501 /nfs/dbraw/zinc/82/55/01/556825501.db2.gz NVHYTASQZUFVJY-YGAJUMRDSA-N 0 0 444.398 5.392 50 30 IKEARN CCN(CC)c1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000006016383 556829188 /nfs/dbraw/zinc/82/91/88/556829188.db2.gz KEQKMPLSTQWNAD-JFLMPSFJSA-N 0 0 437.374 7.134 50 30 IKEARN FC(F)(F)c1cnc(Oc2ccc(/C=N/OCc3ccccc3Cl)cc2)c(Cl)c1 ZINC000022996425 556833800 /nfs/dbraw/zinc/83/38/00/556833800.db2.gz KDMYACSDZGPYCS-YPXUMCKCSA-N 0 0 441.236 6.750 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019634639 556834403 /nfs/dbraw/zinc/83/44/03/556834403.db2.gz USDMBBGSNOGXPP-CUNXSJBXSA-N 0 0 441.571 5.924 50 30 IKEARN Cc1sc(NC(=O)CCCCCCC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C ZINC000096602694 556838300 /nfs/dbraw/zinc/83/83/00/556838300.db2.gz NMXJNJZMEKAGPT-UHFFFAOYSA-N 0 0 442.610 5.704 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000019643786 556838593 /nfs/dbraw/zinc/83/85/93/556838593.db2.gz LYBMJVAFISFUSN-FNZWTVRRSA-N 0 0 445.559 5.256 50 30 IKEARN CCCCCCCCCCCCCCCCCCSc1nccc(N(C)C)c1C#N ZINC000097949616 556840616 /nfs/dbraw/zinc/84/06/16/556840616.db2.gz UZJOFNHQCBELGG-UHFFFAOYSA-N 0 0 431.734 8.373 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019646929 556840718 /nfs/dbraw/zinc/84/07/18/556840718.db2.gz JSUGGEPXMUWXJH-ZUOKHONESA-N 0 0 448.371 5.590 50 30 IKEARN O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1 ZINC000096794653 556845685 /nfs/dbraw/zinc/84/56/85/556845685.db2.gz MLFHYBQTDSFKGX-NTMALXAHSA-N 0 0 438.321 5.442 50 30 IKEARN CCCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000097951613 556848603 /nfs/dbraw/zinc/84/86/03/556848603.db2.gz SOEIEQWTTAAVFV-UHFFFAOYSA-N 0 0 443.682 7.277 50 30 IKEARN CCCCCCCCCCCC[NH2+][C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000097951400 556848619 /nfs/dbraw/zinc/84/86/19/556848619.db2.gz ZJDBJMOIQDHCPR-FQEVSTJZSA-N 0 0 437.422 5.592 50 30 IKEARN CCCCCCCCSc1ncnc2c3c4c(c(CC(C)C)nc3sc21)CCC4 ZINC000097951940 556848810 /nfs/dbraw/zinc/84/88/10/556848810.db2.gz GQBNMSOQTDPKHG-UHFFFAOYSA-N 0 0 427.683 7.379 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954201 556850167 /nfs/dbraw/zinc/85/01/67/556850167.db2.gz JAOWTFRJFOYGJG-JOCHJYFZSA-N 0 0 447.623 6.706 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954159 556850173 /nfs/dbraw/zinc/85/01/73/556850173.db2.gz XUOVDNGQFJTUMM-HSZRJFAPSA-N 0 0 431.624 7.006 50 30 IKEARN CCCCCCCCCNC(=O)c1sc2nc3c(cc2c1NC(C)=O)COC(C)(C)C3 ZINC000097953968 556850212 /nfs/dbraw/zinc/85/02/12/556850212.db2.gz PEKFHBORDFFJKD-UHFFFAOYSA-N 0 0 445.629 5.586 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc21 ZINC000097953929 556850236 /nfs/dbraw/zinc/85/02/36/556850236.db2.gz DTDLDPIBJMXCEJ-UHFFFAOYSA-N 0 0 445.567 5.255 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(F)cc2)c1=O ZINC000097954760 556850259 /nfs/dbraw/zinc/85/02/59/556850259.db2.gz BLHZPASSVJSCEE-UHFFFAOYSA-N 0 0 443.526 5.452 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(OC)cc4)c3C)C2=O)c2ccccc21 ZINC000008992552 556853326 /nfs/dbraw/zinc/85/33/26/556853326.db2.gz IXJXRKKPKRRWBK-CVKSISIWSA-N 0 0 439.511 6.173 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1 ZINC000033097079 556858279 /nfs/dbraw/zinc/85/82/79/556858279.db2.gz ZMUWKRLESJFUPP-ZMDPPLQJSA-N 0 0 447.435 6.985 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019761827 556905642 /nfs/dbraw/zinc/90/56/42/556905642.db2.gz DFPGCFXBBZYONE-CLOONOSVSA-N 0 0 431.532 5.008 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019762441 556906845 /nfs/dbraw/zinc/90/68/45/556906845.db2.gz YWGBWEAQQLRIII-CUBQBAPOSA-N 0 0 449.550 5.792 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000019762471 556906861 /nfs/dbraw/zinc/90/68/61/556906861.db2.gz ZWMDYDWSLZDAAN-NBGIEHNGSA-N 0 0 431.532 5.008 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019762435 556906967 /nfs/dbraw/zinc/90/69/67/556906967.db2.gz YWGBWEAQQLRIII-YWEHKCAJSA-N 0 0 449.550 5.792 50 30 IKEARN COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 ZINC000019790555 556914888 /nfs/dbraw/zinc/91/48/88/556914888.db2.gz RHUYASIFBKPRFF-MTDXEUNCSA-N 0 0 449.982 5.079 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019798090 556916725 /nfs/dbraw/zinc/91/67/25/556916725.db2.gz AHEQYZLQQKFCNG-NRFANRHFSA-N 0 0 434.363 5.837 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019798394 556916756 /nfs/dbraw/zinc/91/67/56/556916756.db2.gz CBUBAZFLWZEAAB-DEOSSOPVSA-N 0 0 449.978 5.730 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019827750 556926280 /nfs/dbraw/zinc/92/62/80/556926280.db2.gz RCFHNUKWLMEQBX-DEOSSOPVSA-N 0 0 433.523 5.216 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848696 556930417 /nfs/dbraw/zinc/93/04/17/556930417.db2.gz VWRLBXFGNNQUOS-DEOSSOPVSA-N 0 0 449.978 5.730 50 30 IKEARN CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1 ZINC000013946088 556974356 /nfs/dbraw/zinc/97/43/56/556974356.db2.gz MXYWZBHCXXSWIZ-UHFFFAOYSA-N 0 0 433.870 6.535 50 30 IKEARN CCCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 ZINC000097984114 556999150 /nfs/dbraw/zinc/99/91/50/556999150.db2.gz OKFNIQJJKNNDNR-QFIPXVFZSA-N 0 0 437.565 5.408 50 30 IKEARN O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@H](c2ccc(Cl)cc2)C1 ZINC000020224096 557000622 /nfs/dbraw/zinc/00/06/22/557000622.db2.gz SDOCCHAPCBQVFS-KRWDZBQOSA-N 0 0 439.930 6.212 50 30 IKEARN O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@H](c2ccc3c(c2)OCO3)C1 ZINC000020224100 557001013 /nfs/dbraw/zinc/00/10/13/557001013.db2.gz VACBLZYETQTWCE-KRWDZBQOSA-N 0 0 449.494 5.288 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000097997722 557004282 /nfs/dbraw/zinc/00/42/82/557004282.db2.gz NNULKDGWZUHJGQ-CLCOLTQESA-N 0 0 439.983 7.204 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000097998497 557004309 /nfs/dbraw/zinc/00/43/09/557004309.db2.gz ISPJYBAGCGINTM-UHFFFAOYSA-N 0 0 434.515 5.812 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3OCC)C(=O)O2)cc1 ZINC000097997733 557004380 /nfs/dbraw/zinc/00/43/80/557004380.db2.gz OXJBWHBJWNQFBL-DAFNUICNSA-N 0 0 449.591 6.949 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC(F)F)cc3)sc2C1 ZINC000013959826 557009468 /nfs/dbraw/zinc/00/94/68/557009468.db2.gz YSDXAPCZFLBDEP-UJNBGNEJSA-N 0 0 430.520 6.024 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000098001409 557012329 /nfs/dbraw/zinc/01/23/29/557012329.db2.gz OSFPJVKJLVNUCE-UHFFFAOYSA-N 0 0 445.401 6.781 50 30 biogenic IKEARN CCCCCCCCCOC(=O)NCCCCNC(=O)OCCCCCCCCC ZINC000098001315 557012353 /nfs/dbraw/zinc/01/23/53/557012353.db2.gz UTRZIAUVVUYPPW-UHFFFAOYSA-N 0 0 428.658 6.720 50 30 IKEARN Cc1ccccc1NC(=NC(=O)c1ccc(F)c(Cl)c1)NCCc1c[nH]c2ccccc12 ZINC000032943207 557017595 /nfs/dbraw/zinc/01/75/95/557017595.db2.gz BAEMNWRXTRYYPV-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C(C)C)cc2)c1 ZINC000032943361 557018197 /nfs/dbraw/zinc/01/81/97/557018197.db2.gz PVASWWLCJLBAEV-UHFFFAOYSA-N 0 0 438.575 6.040 50 30 IKEARN Cc1ccc(C)c(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943325 557018391 /nfs/dbraw/zinc/01/83/91/557018391.db2.gz MZKTYZDJNYWPOZ-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(Cl)c2C)cc1 ZINC000032943318 557018562 /nfs/dbraw/zinc/01/85/62/557018562.db2.gz NTWGTBBYZJDCMO-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1 ZINC000046005337 557019082 /nfs/dbraw/zinc/01/90/82/557019082.db2.gz GYGKPAFUNPZZTB-UHFFFAOYSA-N 0 0 435.512 5.152 50 30 IKEARN O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000100457306 557026878 /nfs/dbraw/zinc/02/68/78/557026878.db2.gz YRLPMOBYRKLMQQ-WYMPLXKRSA-N 0 0 431.344 6.180 50 30 IKEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)CCCCCCC ZINC000098019806 557027781 /nfs/dbraw/zinc/02/77/81/557027781.db2.gz MWWOWFWEPGDRHG-UHFFFAOYSA-N 0 0 440.653 5.960 50 30 IKEARN CN(CCN(C)N=Cc1c(Cl)cccc1Cl)N=Cc1c(Cl)cccc1Cl ZINC000254866147 557028727 /nfs/dbraw/zinc/02/87/27/557028727.db2.gz AIQURGZGERKJGO-UHFFFAOYSA-N 0 0 432.182 5.532 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000098021358 557029097 /nfs/dbraw/zinc/02/90/97/557029097.db2.gz MUPAZVCNIQMCQQ-AREMUKBSSA-N 0 0 438.637 6.771 50 30 IKEARN CCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000098021408 557029138 /nfs/dbraw/zinc/02/91/38/557029138.db2.gz YCTKIQFCNKCZBM-VWLOTQADSA-N 0 0 440.609 6.163 50 30 IKEARN CCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2OCC)cc1 ZINC000098021407 557029220 /nfs/dbraw/zinc/02/92/20/557029220.db2.gz YCTKIQFCNKCZBM-RUZDIDTESA-N 0 0 440.609 6.163 50 30 IKEARN CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000098021512 557029379 /nfs/dbraw/zinc/02/93/79/557029379.db2.gz HEZCYOXCUMAFGO-UHFFFAOYSA-N 0 0 436.644 5.310 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(C)c2)c1 ZINC000098021572 557029462 /nfs/dbraw/zinc/02/94/62/557029462.db2.gz GILYKPZRGKMCBT-AREMUKBSSA-N 0 0 438.637 6.853 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000032946323 557031219 /nfs/dbraw/zinc/03/12/19/557031219.db2.gz ISZJOMWBVCGNCZ-UHFFFAOYSA-N 0 0 426.564 5.042 50 30 IKEARN CCCCCCCCCCCCCCCCCn1c(C)nc(=O)c(-c2ccccc2)c1C ZINC000098045177 557046018 /nfs/dbraw/zinc/04/60/18/557046018.db2.gz QIWDQQQSGBKNHJ-UHFFFAOYSA-N 0 0 438.700 8.399 50 30 IKEARN CCCCCCCc1ccc(-c2ccc(C3CCC(CCCCCCC)CC3)cc2)nc1 ZINC000098044967 557046149 /nfs/dbraw/zinc/04/61/49/557046149.db2.gz HIGBVBHDIZLAHP-UHFFFAOYSA-N 0 0 433.724 9.896 50 30 IKEARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)c1ccccc1Oc1ccccc1 ZINC000006147167 557046539 /nfs/dbraw/zinc/04/65/39/557046539.db2.gz KSTGRXNWUITMJT-VFCFBJKWSA-N 0 0 433.551 7.516 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2-c2ccccc2S1(=O)=O ZINC000033271921 557050394 /nfs/dbraw/zinc/05/03/94/557050394.db2.gz GUSBLHDVVVPAOJ-UHFFFAOYSA-N 0 0 438.936 5.262 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1 ZINC000048303602 557058842 /nfs/dbraw/zinc/05/88/42/557058842.db2.gz MLFHYBQTDSFKGX-CSKARUKUSA-N 0 0 438.321 5.442 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000023199938 557082968 /nfs/dbraw/zinc/08/29/68/557082968.db2.gz ZSBOCSJLGCTJOY-HKWRFOASSA-N 0 0 429.472 5.667 50 30 IKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC ZINC000033321068 557105715 /nfs/dbraw/zinc/10/57/15/557105715.db2.gz HNDMICIJUBJPRI-KOSHJBKYSA-N 0 0 430.504 5.349 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321128 557105965 /nfs/dbraw/zinc/10/59/65/557105965.db2.gz IPAYWZFNFRISSR-OSPHWJPCSA-N 0 0 446.503 5.054 50 30 IKEARN O=C1C=C(Cl)[C@@H]2C=C(Nc3ccccc3)c3c(O)cc(Cl)c4cc(Cl)c1c2c43 ZINC000113498482 557113473 /nfs/dbraw/zinc/11/34/73/557113473.db2.gz WCNPWOWCHXMXAQ-LBPRGKRZSA-N 0 0 428.702 6.721 50 30 IKEARN CC(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 ZINC000098086883 557123024 /nfs/dbraw/zinc/12/30/24/557123024.db2.gz ZGPBEJZBICURJZ-DHRITJCHSA-N 0 0 435.321 6.837 50 30 IKEARN CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O ZINC000033348689 557123241 /nfs/dbraw/zinc/12/32/41/557123241.db2.gz VNVBIXCRPPKJLE-DEDYPNTBSA-N 0 0 442.462 6.149 50 30 IKEARN CCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000033348159 557123271 /nfs/dbraw/zinc/12/32/71/557123271.db2.gz GIXPQIOBZPHESM-CXUHLZMHSA-N 0 0 437.746 5.393 50 30 IKEARN O=C(Oc1c2ccccc2c2onc3c2c1C(=O)C=C3Oc1ccccc1)c1ccccc1 ZINC000000652138 557129393 /nfs/dbraw/zinc/12/93/93/557129393.db2.gz FZSCSCSGLCMGDI-UHFFFAOYSA-N 0 0 433.419 5.816 50 30 IKEARN N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1ccc(Br)o1 ZINC000000657544 557129823 /nfs/dbraw/zinc/12/98/23/557129823.db2.gz FYCAVEZZMHCLHC-UHFFFAOYSA-N 0 0 442.121 6.201 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)nc3)n2)cc1 ZINC000000664154 557131432 /nfs/dbraw/zinc/13/14/32/557131432.db2.gz IJOMLHPFSDBLTA-UHFFFAOYSA-N 0 0 435.858 5.988 50 30 IKEARN N#Cc1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2c(c1C(F)(F)F)CCC2 ZINC000000663985 557131440 /nfs/dbraw/zinc/13/14/40/557131440.db2.gz IRYFQOKCYOZVCY-UHFFFAOYSA-N 0 0 446.281 5.498 50 30 IKEARN C=CCn1c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nnc1C1CC1 ZINC000002739450 557132207 /nfs/dbraw/zinc/13/22/07/557132207.db2.gz QXNQVNLVJDDAON-UHFFFAOYSA-N 0 0 434.952 5.655 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000671286 557133162 /nfs/dbraw/zinc/13/31/62/557133162.db2.gz JBQFBMJBQHRNIX-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN CC[C@H](C)Oc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000000673080 557133434 /nfs/dbraw/zinc/13/34/34/557133434.db2.gz PNXJNSIYRDXNJQ-QLXKLKPCSA-N 0 0 432.564 6.027 50 30 IKEARN O=C1/C(=C/c2cccc(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000033367456 557136281 /nfs/dbraw/zinc/13/62/81/557136281.db2.gz BSOCMNASONXDMO-YVADOFBFSA-N 0 0 449.373 6.253 50 30 IKEARN Clc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000003140694 557136687 /nfs/dbraw/zinc/13/66/87/557136687.db2.gz ISALVHOEWQZBNC-YAGSLNJISA-N 0 0 429.350 8.162 50 30 IKEARN Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)n1 ZINC000000706143 557139920 /nfs/dbraw/zinc/13/99/20/557139920.db2.gz PGJDRBDQAMJEIZ-UHFFFAOYSA-N 0 0 434.468 5.135 50 30 IKEARN C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000000706780 557140241 /nfs/dbraw/zinc/14/02/41/557140241.db2.gz RIDKIQWFYZUIMD-UHFFFAOYSA-N 0 0 427.526 5.347 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000000709279 557140645 /nfs/dbraw/zinc/14/06/45/557140645.db2.gz GERFIDXGUNWYFX-QFIPXVFZSA-N 0 0 435.882 5.300 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000003146699 557144250 /nfs/dbraw/zinc/14/42/50/557144250.db2.gz GHDFLDDQEXFYLU-HSZRJFAPSA-N 0 0 441.568 5.041 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)cc1 ZINC000003146380 557144352 /nfs/dbraw/zinc/14/43/52/557144352.db2.gz BSKNHUYOLRAHTQ-DEOSSOPVSA-N 0 0 439.596 5.813 50 30 IKEARN N#Cc1c(CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)cn2ccccc12 ZINC000014728625 557144923 /nfs/dbraw/zinc/14/49/23/557144923.db2.gz ROQAQRBQLTUONG-UHFFFAOYSA-N 0 0 443.482 5.629 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000000716883 557148102 /nfs/dbraw/zinc/14/81/02/557148102.db2.gz OQSCTCYGPBIPDU-RUZDIDTESA-N 0 0 429.516 5.872 50 30 IKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718228 557148513 /nfs/dbraw/zinc/14/85/13/557148513.db2.gz CYJCERZENOXEDI-MUUNZHRXSA-N 0 0 446.550 6.687 50 30 IKEARN COc1cc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000717357 557148523 /nfs/dbraw/zinc/14/85/23/557148523.db2.gz WODUYBBJFUQHIG-DEOSSOPVSA-N 0 0 442.515 5.369 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1c[nH]nc1-c1ccc(F)cc1 ZINC000000718235 557148829 /nfs/dbraw/zinc/14/88/29/557148829.db2.gz PDHZCNLVKYEUQO-XMMPIXPASA-N 0 0 438.506 5.965 50 30 IKEARN N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccccc5)cc4C3=O)cc2)cc1 ZINC000000725807 557151465 /nfs/dbraw/zinc/15/14/65/557151465.db2.gz PXJNYHVYFWUKCL-UHFFFAOYSA-N 0 0 444.446 5.382 50 30 IKEARN FC(F)(F)Oc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1 ZINC000095704595 557159959 /nfs/dbraw/zinc/15/99/59/557159959.db2.gz SOLNGNSEGHBMIT-UHFFFAOYSA-N 0 0 442.237 6.340 50 30 IKEARN C=CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095708060 557160334 /nfs/dbraw/zinc/16/03/34/557160334.db2.gz DPOFHGRLDJWXKJ-UHFFFAOYSA-N 0 0 440.146 5.563 50 30 IKEARN N#Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1C#N ZINC000000754203 557168004 /nfs/dbraw/zinc/16/80/04/557168004.db2.gz XVRXKHSZIXZIIP-UHFFFAOYSA-N 0 0 442.478 5.602 50 30 IKEARN C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000755587 557170049 /nfs/dbraw/zinc/17/00/49/557170049.db2.gz ASKWCVANZBJACO-SIKLNZKXSA-N 0 0 443.410 6.037 50 30 IKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1C ZINC000009306029 557186026 /nfs/dbraw/zinc/18/60/26/557186026.db2.gz WMXCHGONVWEONZ-UHFFFAOYSA-N 0 0 447.589 5.294 50 30 IKEARN CC(C)(C)c1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000100822164 557188547 /nfs/dbraw/zinc/18/85/47/557188547.db2.gz PFTSWONMVBFREO-NFFVHWSESA-N 0 0 444.556 5.354 50 30 IKEARN O=C1c2c(ccc(Br)c2Cl)N/C1=C\NCc1ccc(Cl)cc1Cl ZINC000100833044 557190698 /nfs/dbraw/zinc/19/06/98/557190698.db2.gz KZROVECMBCWBLY-QPEQYQDCSA-N 0 0 432.532 5.649 50 30 IKEARN CCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 ZINC000100864086 557194777 /nfs/dbraw/zinc/19/47/77/557194777.db2.gz XNUMMXZDRSMRNZ-QZPVIKGESA-N 0 0 435.608 7.291 50 30 IKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(-c2ccccc2)cc1 ZINC000100874297 557196806 /nfs/dbraw/zinc/19/68/06/557196806.db2.gz QCAAHVDSQUHHEH-BZZOAKBMSA-N 0 0 449.373 6.059 50 30 IKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1cc(Cl)cc(Cl)c1 ZINC000100874307 557196808 /nfs/dbraw/zinc/19/68/08/557196808.db2.gz FGEDYHRXKLVGER-FXBPSFAMSA-N 0 0 442.165 5.699 50 30 IKEARN CCCCCCCCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@@H](C(C)C)N21 ZINC000100925081 557202391 /nfs/dbraw/zinc/20/23/91/557202391.db2.gz ZZYUFMXUSJRQFB-HXUWFJFHSA-N 0 0 431.602 5.412 50 30 IKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1OC ZINC000096562024 557202945 /nfs/dbraw/zinc/20/29/45/557202945.db2.gz TZVPFOYIXUBUGC-UHFFFAOYSA-N 0 0 428.525 5.190 50 30 IKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1 ZINC000000796173 557209035 /nfs/dbraw/zinc/20/90/35/557209035.db2.gz AVVOHTHJKNCQCN-UHFFFAOYSA-N 0 0 447.506 5.114 50 30 IKEARN CCOc1ccc(C(C)N=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1 ZINC000025559714 557214445 /nfs/dbraw/zinc/21/44/45/557214445.db2.gz DAYFHCCTDUYHQJ-CTOFZRSPSA-N 0 0 436.625 6.467 50 30 IKEARN CCCCCCCCOc1cccc(/C=N/n2cnc3c4ccc(OC)cc4[nH]c3c2=O)c1 ZINC000101033652 557214845 /nfs/dbraw/zinc/21/48/45/557214845.db2.gz MBDGIKFMAKBYHB-OGLMXYFKSA-N 0 0 446.551 5.508 50 30 IKEARN CCCCCCCCCCOc1ccc(-c2ncc(OCCCCCCCC)cn2)cc1 ZINC000101039375 557215472 /nfs/dbraw/zinc/21/54/72/557215472.db2.gz XYGUNTNTTDQAGL-UHFFFAOYSA-N 0 0 440.672 8.402 50 30 IKEARN CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)S/C1=N/c1ccc(OCC)cc1 ZINC000097464881 557218839 /nfs/dbraw/zinc/21/88/39/557218839.db2.gz ZDCKDNINEZLETI-BRNMAAFJSA-N 0 0 426.538 5.204 50 30 IKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100072803 557227947 /nfs/dbraw/zinc/22/79/47/557227947.db2.gz LEGFWWCGZGFWME-JXAXBCJLSA-N 0 0 449.988 6.519 50 30 IKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000097939934 557230104 /nfs/dbraw/zinc/23/01/04/557230104.db2.gz HLSMWMDNSRJBQE-QGZVFWFLSA-N 0 0 427.541 5.380 50 30 IKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097950796 557230605 /nfs/dbraw/zinc/23/06/05/557230605.db2.gz XZTKKQSXYVCNGS-NRFANRHFSA-N 0 0 449.894 7.612 50 30 IKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097950707 557230676 /nfs/dbraw/zinc/23/06/76/557230676.db2.gz ALBQGYWPKWMBCT-MRXNPFEDSA-N 0 0 438.852 5.454 50 30 IKEARN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)c1 ZINC000097964554 557230983 /nfs/dbraw/zinc/23/09/83/557230983.db2.gz NAYHZYOTJGYWNN-QFIPXVFZSA-N 0 0 446.576 5.237 50 30 IKEARN CCCCCCCCOC(=O)c1ccc(NC(=O)CC(=O)c2ccccc2OC)cc1 ZINC000097997854 557231925 /nfs/dbraw/zinc/23/19/25/557231925.db2.gz KLUHVPXMEHXVBO-UHFFFAOYSA-N 0 0 425.525 5.424 50 30 IKEARN O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000098052696 557232515 /nfs/dbraw/zinc/23/25/15/557232515.db2.gz DUXWIYXHHGNUJU-UHFFFAOYSA-N 0 0 431.254 5.270 50 30 in-vitro IKEARN FN(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100028184 557237581 /nfs/dbraw/zinc/23/75/81/557237581.db2.gz LXHMBTBAXXSYNE-UHFFFAOYSA-N 0 0 435.077 5.432 50 30 IKEARN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000100035591 557238331 /nfs/dbraw/zinc/23/83/31/557238331.db2.gz BJKOPLOZQDQIOT-GDNZHBKUSA-N 0 0 440.568 5.975 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2OCCCC)cc1 ZINC000100034576 557238363 /nfs/dbraw/zinc/23/83/63/557238363.db2.gz RPUWRNHBPOBOLY-UHFFFAOYSA-N 0 0 440.628 8.029 50 30 IKEARN O=C1/C(=C\c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100055875 557238948 /nfs/dbraw/zinc/23/89/48/557238948.db2.gz ZPDZJAANZQTWKI-ADGFTTEDSA-N 0 0 435.346 6.258 50 30 IKEARN CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1 ZINC000018137736 557242582 /nfs/dbraw/zinc/24/25/82/557242582.db2.gz YLVQJVLMIZPQBO-UHFFFAOYSA-N 0 0 426.545 5.392 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000018188716 557246394 /nfs/dbraw/zinc/24/63/94/557246394.db2.gz GGXZFQFEPIKPTM-WTYVLRPYSA-N 0 0 440.518 6.136 50 30 IKEARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000018197553 557247198 /nfs/dbraw/zinc/24/71/98/557247198.db2.gz MQOONJYZPNMPEZ-PUAOIOHZSA-N 0 0 447.556 5.732 50 30 IKEARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018197556 557247267 /nfs/dbraw/zinc/24/72/67/557247267.db2.gz MQOONJYZPNMPEZ-IVCQMTBJSA-N 0 0 447.556 5.732 50 30 IKEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)O2 ZINC000018196542 557248312 /nfs/dbraw/zinc/24/83/12/557248312.db2.gz TUENUWCCBNPJGB-QFIPXVFZSA-N 0 0 439.342 6.078 50 30 IKEARN CC/N=C1\S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC ZINC000100216809 557248381 /nfs/dbraw/zinc/24/83/81/557248381.db2.gz VZESTVTXFIMOOI-GYOQDEGTSA-N 0 0 438.622 5.218 50 30 IKEARN O=c1[nH][nH]c2c1[C@@H](c1ccccc1C(F)(F)F)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196474 557248446 /nfs/dbraw/zinc/24/84/46/557248446.db2.gz BBUZLNIRBWJHPO-QFYYESIMSA-N 0 0 431.439 5.154 50 30 IKEARN Cc1ccc2nc(C3=CN(CC(=O)c4ccccc4)c4ccc(C)cc4[C@H]3C#N)ccc2c1 ZINC000018199871 557249039 /nfs/dbraw/zinc/24/90/39/557249039.db2.gz UMNXKPDLZPYJDY-XMMPIXPASA-N 0 0 429.523 6.203 50 30 IKEARN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N/c1ccccc1 ZINC000100233603 557250559 /nfs/dbraw/zinc/25/05/59/557250559.db2.gz XMTUERJUKQHQAP-RWBSCQHUSA-N 0 0 445.588 6.117 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@H]3c2ccccc2Cl)cc1OC ZINC000018199319 557251205 /nfs/dbraw/zinc/25/12/05/557251205.db2.gz FGWIEEWJNLXGFK-IQMFZBJNSA-N 0 0 449.938 5.347 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(OCC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000027017201 557253989 /nfs/dbraw/zinc/25/39/89/557253989.db2.gz CNBPTNLKEVJVCM-PGMHBOJBSA-N 0 0 443.499 6.057 50 30 IKEARN COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 ZINC000018251543 557254390 /nfs/dbraw/zinc/25/43/90/557254390.db2.gz BWOUVQLTWXPQMX-WOARFCOISA-N 0 0 443.528 5.459 50 30 IKEARN CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000100284276 557256509 /nfs/dbraw/zinc/25/65/09/557256509.db2.gz HKGNEWRMTNSEIB-UHFFFAOYSA-N 0 0 447.369 6.228 50 30 IKEARN CCCCCCCCCCOc1ccc(C(=O)NCCN2Cc3ccccc3C2=O)cc1 ZINC000100286374 557256512 /nfs/dbraw/zinc/25/65/12/557256512.db2.gz ALYYZVRSZQAOBM-UHFFFAOYSA-N 0 0 436.596 5.592 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCSc2ccccc2C)cc1 ZINC000100283777 557256529 /nfs/dbraw/zinc/25/65/29/557256529.db2.gz XPKWNPAKAFBXPE-UHFFFAOYSA-N 0 0 442.669 7.428 50 30 IKEARN CCOC(=O)c1cc2c(cc1C)-c1ccccc1/C2=N/c1cccc2c1Cc1ccccc1-2 ZINC000101148905 557262359 /nfs/dbraw/zinc/26/23/59/557262359.db2.gz XUWOOBCIKPVOAK-YCNYHXFESA-N 0 0 429.519 6.892 50 30 IKEARN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1O ZINC000100502194 557262638 /nfs/dbraw/zinc/26/26/38/557262638.db2.gz VPDUYAZYMYLVJF-WYMPLXKRSA-N 0 0 438.281 5.507 50 30 IKEARN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000100503092 557262653 /nfs/dbraw/zinc/26/26/53/557262653.db2.gz YMCPRNQLKXTWCB-ZMOGYAJESA-N 0 0 437.293 6.112 50 30 IKEARN CCc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1 ZINC000100503690 557262784 /nfs/dbraw/zinc/26/27/84/557262784.db2.gz QJTWQQJSAYULSE-JFLMPSFJSA-N 0 0 437.455 6.575 50 30 IKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccc(Cl)cc1 ZINC000100529864 557263621 /nfs/dbraw/zinc/26/36/21/557263621.db2.gz RPXZXDKQLMGGMG-AONURPCGSA-N 0 0 448.400 6.154 50 30 IKEARN COc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 ZINC000100539164 557264020 /nfs/dbraw/zinc/26/40/20/557264020.db2.gz IEXXONXICYJMNB-AOUVVKEYSA-N 0 0 429.545 5.570 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000027546970 557264785 /nfs/dbraw/zinc/26/47/85/557264785.db2.gz NCOITTTVHHXZIC-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCO ZINC000100655382 557267553 /nfs/dbraw/zinc/26/75/53/557267553.db2.gz HEZHDXIJQPSERX-UHFFFAOYSA-N 0 0 446.713 6.307 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000101285103 557267588 /nfs/dbraw/zinc/26/75/88/557267588.db2.gz NCCJNVWWEFQHKA-HSZRJFAPSA-N 0 0 437.971 6.492 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000101285176 557267801 /nfs/dbraw/zinc/26/78/01/557267801.db2.gz GGPNJRMHXXUPKQ-QHCPKHFHSA-N 0 0 448.523 5.747 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101285163 557267887 /nfs/dbraw/zinc/26/78/87/557267887.db2.gz HMLZKWOPDZSXTP-QHCPKHFHSA-N 0 0 448.523 5.747 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000101286289 557267930 /nfs/dbraw/zinc/26/79/30/557267930.db2.gz ZKTBALKEUPJCNQ-XMMPIXPASA-N 0 0 435.543 6.368 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000101286280 557268017 /nfs/dbraw/zinc/26/80/17/557268017.db2.gz YFKFCZWLMGYMRR-RUZDIDTESA-N 0 0 447.579 6.238 50 30 IKEARN O=c1c(C=[NH+]Cc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000100699581 557270439 /nfs/dbraw/zinc/27/04/39/557270439.db2.gz BABRVIJCSMJRKH-YSURURNPSA-N 0 0 436.846 5.067 50 30 IKEARN CCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(C)cc21 ZINC000100723212 557271412 /nfs/dbraw/zinc/27/14/12/557271412.db2.gz QCRMFQVHHSJYLW-UHFFFAOYSA-N 0 0 440.381 7.100 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccccc1-c1nc2ccccc2[nH]1 ZINC000100733943 557272863 /nfs/dbraw/zinc/27/28/63/557272863.db2.gz KHGPUYBBCJIIRW-UHFFFAOYSA-N 0 0 434.668 9.090 50 30 IKEARN CCOC(=O)c1ccc(NC(=S)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1 ZINC000100743591 557274278 /nfs/dbraw/zinc/27/42/78/557274278.db2.gz UACGHASZPFYBLQ-UHFFFAOYSA-N 0 0 436.577 5.036 50 30 IKEARN COc1cc2c(cc1OC)-c1cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=N)n1CC2 ZINC000101356479 557275336 /nfs/dbraw/zinc/27/53/36/557275336.db2.gz QWVOZMCOTIQCPY-UHFFFAOYSA-N 0 0 426.303 5.053 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 ZINC000101361400 557276599 /nfs/dbraw/zinc/27/65/99/557276599.db2.gz XPYTWGUIIIEORN-RQZHXJHFSA-N 0 0 425.557 6.196 50 30 IKEARN CCCCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2s1 ZINC000101015322 557281383 /nfs/dbraw/zinc/28/13/83/557281383.db2.gz GEDVBQOBQDNITA-UHFFFAOYSA-N 0 0 449.726 8.413 50 30 IKEARN CCCCCC/C=N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000101392774 557283162 /nfs/dbraw/zinc/28/31/62/557283162.db2.gz STBKPDSQZGHTAW-KIGCCDCASA-N 0 0 442.426 6.825 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C1CCCCC1 ZINC000101148472 557283660 /nfs/dbraw/zinc/28/36/60/557283660.db2.gz CULXSTLNPHOSFZ-NSSHJNEVSA-N 0 0 434.539 6.010 50 30 IKEARN COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(OC)cc2)cc1 ZINC000024967640 557285226 /nfs/dbraw/zinc/28/52/26/557285226.db2.gz FSVOICPGAAZIMF-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N\N=C\c1ccncc1 ZINC000101455214 557285999 /nfs/dbraw/zinc/28/59/99/557285999.db2.gz YJCVZBBPFJNCMB-ZWIWMWKMSA-N 0 0 443.506 5.119 50 30 IKEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C ZINC000101457616 557287538 /nfs/dbraw/zinc/28/75/38/557287538.db2.gz KIKJYSRQNGNJJM-JEBQXDLDSA-N 0 0 434.517 5.409 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O ZINC000101511624 557293478 /nfs/dbraw/zinc/29/34/78/557293478.db2.gz UCDIRXNTFIAGTA-AJGXWLHTSA-N 0 0 444.600 6.815 50 30 IKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 ZINC000102079420 557298507 /nfs/dbraw/zinc/29/85/07/557298507.db2.gz QAFPSDDVJMKWBA-UHFFFAOYSA-N 0 0 430.375 7.726 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 ZINC000102417448 557301915 /nfs/dbraw/zinc/30/19/15/557301915.db2.gz SYIUZNCFEDGIIU-VULFUBBASA-N 0 0 449.348 7.011 50 30 IKEARN O=C(Nc1cccc(/N=C/c2cc(Br)ccc2O)c1)c1cc2ccccc2o1 ZINC000102417205 557301933 /nfs/dbraw/zinc/30/19/33/557301933.db2.gz XDOKEYOMXWQIAA-ZMOGYAJESA-N 0 0 435.277 5.904 50 30 IKEARN O=C1/C(=N/c2cccc(F)c2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000102458184 557302307 /nfs/dbraw/zinc/30/23/07/557302307.db2.gz AGIAWQKZZSPRQK-PBBVDAKRSA-N 0 0 427.523 5.205 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N\N=C\c1ccncc1 ZINC000101908512 557303457 /nfs/dbraw/zinc/30/34/57/557303457.db2.gz YJCVZBBPFJNCMB-OPGYFNSSSA-N 0 0 443.506 5.119 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000102536379 557303487 /nfs/dbraw/zinc/30/34/87/557303487.db2.gz YGJPIVBFVZLONS-UHFFFAOYSA-N 0 0 443.500 6.544 50 30 IKEARN C[C@@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000102625458 557304177 /nfs/dbraw/zinc/30/41/77/557304177.db2.gz QHSOFLQDNNTTDE-WSVKJVBWSA-N 0 0 430.460 6.081 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 ZINC000102643523 557304569 /nfs/dbraw/zinc/30/45/69/557304569.db2.gz HWIHXMLIRVYVIF-QUURXOELSA-N 0 0 438.612 6.248 50 30 IKEARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)c1 ZINC000023134088 557305186 /nfs/dbraw/zinc/30/51/86/557305186.db2.gz HPQRMUHBRASWHU-UHFFFAOYSA-N 0 0 447.560 5.158 50 30 IKEARN COc1ccc(Cl)cc1NC(=O)c1c(/N=C/c2ccncc2)sc2c1CCCC2 ZINC000101892592 557305816 /nfs/dbraw/zinc/30/58/16/557305816.db2.gz AHNBDHRWQSJQSB-DHRITJCHSA-N 0 0 425.941 5.687 50 30 IKEARN COc1ccc(-n2c(=S)ss/c2=N\C(=N\c2ccc(C)cc2)c2ccccc2)cc1 ZINC000101973130 557309562 /nfs/dbraw/zinc/30/95/62/557309562.db2.gz VZICHORWUKWPDI-ZINFLPCDSA-N 0 0 449.626 6.326 50 30 IKEARN CC(C)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101972812 557309583 /nfs/dbraw/zinc/30/95/83/557309583.db2.gz BOWWLZSRFBIMJB-QFIPXVFZSA-N 0 0 427.548 5.490 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1 ZINC000002863302 557310236 /nfs/dbraw/zinc/31/02/36/557310236.db2.gz KRRSHIUPMXZQPP-UHFFFAOYSA-N 0 0 432.471 5.189 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 ZINC000102065643 557312599 /nfs/dbraw/zinc/31/25/99/557312599.db2.gz DXKWSFJVEUXPNY-LJQANCHMSA-N 0 0 435.674 7.299 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1Cl ZINC000002865526 557313078 /nfs/dbraw/zinc/31/30/78/557313078.db2.gz XTKROYNLQYLBHO-INIZCTEOSA-N 0 0 441.000 6.029 50 30 IKEARN CCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000102136841 557313339 /nfs/dbraw/zinc/31/33/39/557313339.db2.gz JRWHJVBJPMAUGZ-QFIPXVFZSA-N 0 0 437.565 5.326 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102137248 557313554 /nfs/dbraw/zinc/31/35/54/557313554.db2.gz KDOUMEBUEPCNCB-JOCHJYFZSA-N 0 0 449.501 5.983 50 30 IKEARN CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OCC)c2)S/C1=N/c1ccccc1 ZINC000103217596 557313674 /nfs/dbraw/zinc/31/36/74/557313674.db2.gz YQYIDYWBMUZUQE-XZKXACHFSA-N 0 0 438.593 6.134 50 30 IKEARN COc1cc([C@@H]2c3c(C)nn(-c4cccc(C)c4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000102160504 557313688 /nfs/dbraw/zinc/31/36/88/557313688.db2.gz BFHOGWNXRVFFCO-XMMPIXPASA-N 0 0 443.547 5.404 50 30 IKEARN COc1cc([C@H]2c3c(C)nn(-c4cccc(C)c4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000102160502 557313698 /nfs/dbraw/zinc/31/36/98/557313698.db2.gz BFHOGWNXRVFFCO-DEOSSOPVSA-N 0 0 443.547 5.404 50 30 IKEARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)c(Cl)c1 ZINC000100117636 557314903 /nfs/dbraw/zinc/31/49/03/557314903.db2.gz NKVBMEVULBJSKQ-PZHNNBNVSA-N 0 0 449.381 6.949 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000002874009 557316686 /nfs/dbraw/zinc/31/66/86/557316686.db2.gz KHIMYIYBAKULBV-KRWDZBQOSA-N 0 0 427.327 5.082 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 ZINC000103616472 557316949 /nfs/dbraw/zinc/31/69/49/557316949.db2.gz XQHBVMCHFFVEAB-CVKSISIWSA-N 0 0 439.427 6.422 50 30 IKEARN CO/C(=N\[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 ZINC000103611276 557317004 /nfs/dbraw/zinc/31/70/04/557317004.db2.gz NTSSBJCZIZYUSP-AJIWAEEYSA-N 0 0 430.788 5.071 50 30 IKEARN C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 ZINC000002836596 557317857 /nfs/dbraw/zinc/31/78/57/557317857.db2.gz LUPOCOYEZXNCIE-UHFFFAOYSA-N 0 0 425.517 5.136 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S ZINC000002847968 557317881 /nfs/dbraw/zinc/31/78/81/557317881.db2.gz FMCNZGJMNDMYCL-WQRHYEAKSA-N 0 0 436.385 5.960 50 30 IKEARN CCCCCCCCCCP(=O)(CCCCCCCCCC)c1ccc(Cl)cc1 ZINC000102369295 557318799 /nfs/dbraw/zinc/31/87/99/557318799.db2.gz CSGLZNVQUCTEBF-UHFFFAOYSA-N 0 0 441.080 9.610 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c1C ZINC000032973291 557319736 /nfs/dbraw/zinc/31/97/36/557319736.db2.gz UMSOWAMNAYXTEW-UHFFFAOYSA-N 0 0 445.611 5.392 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S ZINC000002863895 557319807 /nfs/dbraw/zinc/31/98/07/557319807.db2.gz FNFQJJNVWSJUNZ-XDHOZWIPSA-N 0 0 445.993 5.623 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102401955 557320853 /nfs/dbraw/zinc/32/08/53/557320853.db2.gz CAGWHKOMOXFQJN-WOOAAIBNSA-N 0 0 438.574 5.571 50 30 IKEARN C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002842042 557322268 /nfs/dbraw/zinc/32/22/68/557322268.db2.gz MQCUGHOMRDCERI-NRFANRHFSA-N 0 0 444.512 5.181 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2 ZINC000002878668 557324230 /nfs/dbraw/zinc/32/42/30/557324230.db2.gz STQIVYWQTIKGBM-QHCPKHFHSA-N 0 0 440.528 6.112 50 30 IKEARN COC(=O)c1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000033144986 557325956 /nfs/dbraw/zinc/32/59/56/557325956.db2.gz NADWIFYTOHURMR-HOFJZWJUSA-N 0 0 446.543 5.752 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2 ZINC000002878667 557326649 /nfs/dbraw/zinc/32/66/49/557326649.db2.gz STQIVYWQTIKGBM-HSZRJFAPSA-N 0 0 440.528 6.112 50 30 IKEARN Cc1cc(C)c(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 ZINC000100132114 557331767 /nfs/dbraw/zinc/33/17/67/557331767.db2.gz YWDKKANSXIBPNY-BRJLIKDPSA-N 0 0 444.756 6.472 50 30 IKEARN CCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc21)=C1C(=O)CCCC1=O ZINC000100139619 557333377 /nfs/dbraw/zinc/33/33/77/557333377.db2.gz QEADHSDIJFXPRF-UHFFFAOYSA-N 0 0 430.548 5.174 50 30 IKEARN CCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140064 557333923 /nfs/dbraw/zinc/33/39/23/557333923.db2.gz ZJKDKFVYGHENHT-UHFFFAOYSA-N 0 0 449.591 5.386 50 30 IKEARN N#Cc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000014358091 557335572 /nfs/dbraw/zinc/33/55/72/557335572.db2.gz BPCDWANYMOEGSG-UHFFFAOYSA-N 0 0 448.544 5.666 50 30 IKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102501568 557338189 /nfs/dbraw/zinc/33/81/89/557338189.db2.gz MHYAJTQWIMJGKN-HOGKFDNTSA-N 0 0 433.891 5.365 50 30 IKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102501576 557338227 /nfs/dbraw/zinc/33/82/27/557338227.db2.gz MHYAJTQWIMJGKN-MOBKVPTQSA-N 0 0 433.891 5.365 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102507235 557339796 /nfs/dbraw/zinc/33/97/96/557339796.db2.gz XXNYGLZRWUNMGI-MRJHHRETSA-N 0 0 444.487 5.370 50 30 IKEARN CCCCCCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=O ZINC000100167835 557339992 /nfs/dbraw/zinc/33/99/92/557339992.db2.gz UTFLUDCMCRNPOL-ZBJSNUHESA-N 0 0 427.589 5.087 50 30 IKEARN CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000100166420 557340556 /nfs/dbraw/zinc/34/05/56/557340556.db2.gz KPCYFTMFPHNVDZ-QOCHGBHMSA-N 0 0 428.572 7.782 50 30 IKEARN CCCCCCCCOc1ccc(NC=C2N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000100168343 557340906 /nfs/dbraw/zinc/34/09/06/557340906.db2.gz PECVOBPXJQXXMJ-LHLOQNFPSA-N 0 0 442.559 6.836 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102535858 557345099 /nfs/dbraw/zinc/34/50/99/557345099.db2.gz LHBNCNIDBBNVIY-MRJHHRETSA-N 0 0 448.862 5.183 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2CCCOC(C)C ZINC000023332808 557346273 /nfs/dbraw/zinc/34/62/73/557346273.db2.gz LMXPNYNVOOXEBA-UHFFFAOYSA-N 0 0 437.565 5.192 50 30 IKEARN CCCCn1c(/N=C/c2cccc(OC)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176661 557347627 /nfs/dbraw/zinc/34/76/27/557347627.db2.gz HRCUTNQEXHGTCL-NJZRLIGZSA-N 0 0 433.555 7.253 50 30 IKEARN CCCCn1c(/N=C/c2cccc(OC)c2O)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176631 557347681 /nfs/dbraw/zinc/34/76/81/557347681.db2.gz LLPFFWOYHYDXLG-AJBULDERSA-N 0 0 449.554 6.959 50 30 IKEARN COC(C)(OC)c1ccc(C#N)c(SCc2csc(Cc3ccc(C)cc3)n2)n1 ZINC000023336496 557348771 /nfs/dbraw/zinc/34/87/71/557348771.db2.gz QEVBEALTQNGUFC-UHFFFAOYSA-N 0 0 425.579 5.067 50 30 IKEARN CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000023335215 557349984 /nfs/dbraw/zinc/34/99/84/557349984.db2.gz IIQSNHSEDWSHJK-UHFFFAOYSA-N 0 0 428.414 5.192 50 30 IKEARN Cc1cc(COc2ccc(Cl)cc2C)c(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)c1 ZINC000023380997 557352169 /nfs/dbraw/zinc/35/21/69/557352169.db2.gz NZFMVSZYIUDGEN-UHFFFAOYSA-N 0 0 445.994 6.629 50 30 IKEARN CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000100183018 557352484 /nfs/dbraw/zinc/35/24/84/557352484.db2.gz QOODNLLNLFMICV-CFEZCKOSSA-N 0 0 444.556 6.293 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000102582600 557355487 /nfs/dbraw/zinc/35/54/87/557355487.db2.gz DRKMWZBPSIYESD-MRJHHRETSA-N 0 0 448.862 5.183 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1 ZINC000102580671 557355561 /nfs/dbraw/zinc/35/55/61/557355561.db2.gz ALQJVCLZXJUQKW-FNZWTVRRSA-N 0 0 447.534 6.539 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1 ZINC000102580666 557355583 /nfs/dbraw/zinc/35/55/83/557355583.db2.gz ALQJVCLZXJUQKW-RXFWQSSRSA-N 0 0 447.534 6.539 50 30 IKEARN O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 ZINC000102595288 557357228 /nfs/dbraw/zinc/35/72/28/557357228.db2.gz PGNHDAYBGSOACL-QGCDDDHDSA-N 0 0 449.428 5.888 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1 ZINC000102553286 557358390 /nfs/dbraw/zinc/35/83/90/557358390.db2.gz SQPCACGGUYLTEZ-JBCNATCCSA-N 0 0 448.316 5.384 50 30 IKEARN COc1ccc(OC)c(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000102656302 557361612 /nfs/dbraw/zinc/36/16/12/557361612.db2.gz NDTUHKKTTBVOMI-YCJCGMCGSA-N 0 0 444.556 5.377 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000102667366 557362578 /nfs/dbraw/zinc/36/25/78/557362578.db2.gz XSBXVKJSHYYEQI-ZHHPLPSFSA-N 0 0 437.536 5.014 50 30 IKEARN O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 ZINC000102668852 557362850 /nfs/dbraw/zinc/36/28/50/557362850.db2.gz PGNHDAYBGSOACL-PQIDUSIDSA-N 0 0 449.428 5.888 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102696612 557364867 /nfs/dbraw/zinc/36/48/67/557364867.db2.gz JJRZHGJEUZJJCB-MRJHHRETSA-N 0 0 444.512 5.639 50 30 IKEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)c2c1 ZINC000044167720 557365219 /nfs/dbraw/zinc/36/52/19/557365219.db2.gz MWOWJWKPZVBBIU-UHFFFAOYSA-N 0 0 442.563 5.484 50 30 IKEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2c1 ZINC000044167627 557365230 /nfs/dbraw/zinc/36/52/30/557365230.db2.gz FOYJPJYCNQRMGJ-UHFFFAOYSA-N 0 0 448.954 5.322 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1ccc3noc(-c4ccc(Cl)cc4)c3c1)CCCC2 ZINC000011689810 557367897 /nfs/dbraw/zinc/36/78/97/557367897.db2.gz AYHVSRVGESXTID-UHFFFAOYSA-N 0 0 433.920 6.212 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 ZINC000524729416 557368872 /nfs/dbraw/zinc/36/88/72/557368872.db2.gz SRRCNBDSXVCQOE-DZCITIIWSA-N 0 0 426.468 5.573 50 30 biogenic IKEARN COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O ZINC000524730586 557369143 /nfs/dbraw/zinc/36/91/43/557369143.db2.gz OFKGYDCNJYZQLI-ZWAQGKOVSA-N 0 0 441.483 5.622 50 30 biogenic IKEARN CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(CCCC)cc3)S2)cc1 ZINC000011690588 557369795 /nfs/dbraw/zinc/36/97/95/557369795.db2.gz USEAFHQMBMCKAE-ZCBHOAFYSA-N 0 0 437.609 5.372 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000100223293 557372024 /nfs/dbraw/zinc/37/20/24/557372024.db2.gz BKSBJZRIXRIOKB-YCJCGMCGSA-N 0 0 444.556 5.464 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102732775 557372152 /nfs/dbraw/zinc/37/21/52/557372152.db2.gz COKJKTOCEYAQRT-AYWGPLOBSA-N 0 0 446.503 5.131 50 30 IKEARN CCCCCCCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102739129 557380163 /nfs/dbraw/zinc/38/01/63/557380163.db2.gz GVESSIJGULWZFX-DEOSSOPVSA-N 0 0 432.029 7.166 50 30 IKEARN CCCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000102771970 557382037 /nfs/dbraw/zinc/38/20/37/557382037.db2.gz JEGUZHVEAXGZJU-UHFFFAOYSA-N 0 0 445.401 5.469 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102803086 557385629 /nfs/dbraw/zinc/38/56/29/557385629.db2.gz XINCQOIJQABJQG-ZHHPLPSFSA-N 0 0 447.918 5.673 50 30 IKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000100241724 557389272 /nfs/dbraw/zinc/38/92/72/557389272.db2.gz UNLBWLGZDUAXKR-OBGMXFBLSA-N 0 0 443.474 5.407 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102874371 557396108 /nfs/dbraw/zinc/39/61/08/557396108.db2.gz FEGKTRBVPUAEJG-YDJIHCHBSA-N 0 0 430.485 5.132 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(C#N)cc1 ZINC000102857495 557398880 /nfs/dbraw/zinc/39/88/80/557398880.db2.gz NALGZXZFZNYTQS-MHZLTWQESA-N 0 0 447.538 6.665 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000102858054 557399179 /nfs/dbraw/zinc/39/91/79/557399179.db2.gz ORDFAXRQDNMFJA-NHFXJNLRSA-N 0 0 442.298 5.517 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102858715 557399395 /nfs/dbraw/zinc/39/93/95/557399395.db2.gz DZUPHVCNUFEGNO-MOBKVPTQSA-N 0 0 448.906 5.150 50 30 IKEARN N#Cc1c(C=CNc2cc(Cl)cc(Cl)c2)onc1-c1c(Cl)cccc1Cl ZINC000100394996 557401494 /nfs/dbraw/zinc/40/14/94/557401494.db2.gz ACOZVZSUNBNUCP-SNAWJCMRSA-N 0 0 425.102 6.910 50 30 IKEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000100409230 557402046 /nfs/dbraw/zinc/40/20/46/557402046.db2.gz QBPTZZLYUQPGPC-BUHFOSPRSA-N 0 0 447.840 6.626 50 30 IKEARN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OCCCF)cc1 ZINC000100418650 557402134 /nfs/dbraw/zinc/40/21/34/557402134.db2.gz FBTDUEWERHXFBD-SOFGYWHQSA-N 0 0 435.339 6.271 50 30 IKEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C(C)C)CC1=O ZINC000004910378 557403644 /nfs/dbraw/zinc/40/36/44/557403644.db2.gz HLVDEGOYHNJLMV-OAQYLSRUSA-N 0 0 431.580 5.439 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000118915792 557405691 /nfs/dbraw/zinc/40/56/91/557405691.db2.gz IKAYYSYGCHKPAB-ZTYLKHIKSA-N 0 0 443.716 6.987 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102883957 557409030 /nfs/dbraw/zinc/40/90/30/557409030.db2.gz LKDWWGIPGQVYER-HOGKFDNTSA-N 0 0 440.524 5.539 50 30 IKEARN Cc1c(C#N)c(-c2ccccc2)nc(CC(=O)c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000135653747 557409066 /nfs/dbraw/zinc/40/90/66/557409066.db2.gz IVVZAJCDAOSOSL-ONUIUJJFSA-N 0 0 445.522 5.915 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102925306 557409724 /nfs/dbraw/zinc/40/97/24/557409724.db2.gz YZYOGDQIWSWHSP-MRJHHRETSA-N 0 0 448.544 5.093 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102927420 557410435 /nfs/dbraw/zinc/41/04/35/557410435.db2.gz BDMQWHROPODKCK-WOOAAIBNSA-N 0 0 436.508 5.206 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000102926894 557410447 /nfs/dbraw/zinc/41/04/47/557410447.db2.gz RLAGPHLQUNLSAP-IAMBOQNYSA-N 0 0 440.524 5.539 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000102928314 557410498 /nfs/dbraw/zinc/41/04/98/557410498.db2.gz AIPXHOOUQFXYBZ-LFVOPCPISA-N 0 0 438.936 5.348 50 30 IKEARN CCCCCCCCCc1ccc(-c2ccc(CCCCCC(=O)OCCC)cc2)cc1 ZINC000100496123 557410502 /nfs/dbraw/zinc/41/05/02/557410502.db2.gz XOORPHAAJDRAII-UHFFFAOYSA-N 0 0 436.680 8.703 50 30 IKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl ZINC000033558084 557410825 /nfs/dbraw/zinc/41/08/25/557410825.db2.gz AYRZFHJNKMIXRS-ISHSZONUSA-N 0 0 429.903 5.518 50 30 IKEARN C(#Cc1c2ccccc2c(C#Cc2ccccc2)c2cc3ccccc3cc12)c1ccccc1 ZINC000002539437 557411567 /nfs/dbraw/zinc/41/15/67/557411567.db2.gz OUHYGBCAEPBUNA-UHFFFAOYSA-N 0 0 428.534 7.946 50 30 IKEARN O=C1C[C@@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000100511130 557412643 /nfs/dbraw/zinc/41/26/43/557412643.db2.gz CBLHHUBFBGJLOQ-HXUWFJFHSA-N 0 0 435.936 5.505 50 30 IKEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000033573319 557412701 /nfs/dbraw/zinc/41/27/01/557412701.db2.gz UCTVHEQZNBUUPH-UHFFFAOYSA-N 0 0 435.452 5.311 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102931305 557412815 /nfs/dbraw/zinc/41/28/15/557412815.db2.gz DDOKQZLYLWWRCT-ZHHPLPSFSA-N 0 0 445.515 5.208 50 30 IKEARN CCOC(=O)c1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000102932678 557412953 /nfs/dbraw/zinc/41/29/53/557412953.db2.gz SYWPYLBQSPAALZ-NRFANRHFSA-N 0 0 427.500 5.641 50 30 IKEARN CCOC(=O)c1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000102932676 557412991 /nfs/dbraw/zinc/41/29/91/557412991.db2.gz SYWPYLBQSPAALZ-OAQYLSRUSA-N 0 0 427.500 5.641 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000102932770 557413018 /nfs/dbraw/zinc/41/30/18/557413018.db2.gz RLERMIWFBYDRCK-QOJBNDRUSA-N 0 0 430.485 5.132 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C\c2ccccc2Cl)c2nc3ccccc3o2)cc1 ZINC000102987152 557414027 /nfs/dbraw/zinc/41/40/27/557414027.db2.gz GRRBNEFLAINRPX-HEHNFIMWSA-N 0 0 431.919 7.084 50 30 IKEARN COc1ccccc1/C=C(\C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1 ZINC000102987131 557414032 /nfs/dbraw/zinc/41/40/32/557414032.db2.gz KMBMKFGUZRMKPM-QGOAFFKASA-N 0 0 445.471 5.286 50 30 IKEARN CCCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C ZINC000102995408 557414764 /nfs/dbraw/zinc/41/47/64/557414764.db2.gz QXBSUNKJKMNZII-UHFFFAOYSA-N 0 0 440.628 5.839 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3OC)n2)cc1 ZINC000102996700 557414848 /nfs/dbraw/zinc/41/48/48/557414848.db2.gz LBJNJBMORMXMNN-UHFFFAOYSA-N 0 0 437.609 7.251 50 30 IKEARN CCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000102991160 557415765 /nfs/dbraw/zinc/41/57/65/557415765.db2.gz AQZJNPRVKCHQFR-UHFFFAOYSA-N 0 0 447.572 5.445 50 30 IKEARN CCCCCCCCC(=O)N(CCC)CC(=O)N(CCc1ccccc1)Cc1ccco1 ZINC000103066930 557417544 /nfs/dbraw/zinc/41/75/44/557417544.db2.gz ZTJACTHPHNOIOY-UHFFFAOYSA-N 0 0 440.628 5.840 50 30 IKEARN O=C(/C=C\c1ccccc1OC(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000033622787 557424133 /nfs/dbraw/zinc/42/41/33/557424133.db2.gz GGBBMSWLFJOFMQ-KAMYIIQDSA-N 0 0 441.708 6.218 50 30 IKEARN O=C1C/C(=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21 ZINC000103526817 557438661 /nfs/dbraw/zinc/43/86/61/557438661.db2.gz PGUFQQJWSLCLJN-OLPWBVPVSA-N 0 0 429.932 5.751 50 30 IKEARN O=C(Oc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1)c1ccccc1Br ZINC000103583305 557439788 /nfs/dbraw/zinc/43/97/88/557439788.db2.gz OIGMGGFEPVJKJE-XMHGGMMESA-N 0 0 448.272 5.013 50 30 IKEARN CCOc1ccc(/N=C2\S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000103687003 557440273 /nfs/dbraw/zinc/44/02/73/557440273.db2.gz KNLCQTIEBLYWRY-KKOPTWAASA-N 0 0 445.588 6.503 50 30 IKEARN O=C1c2cc(Br)ccc2N/C1=C1\Sc2c(ccc3cccc(Cl)c23)C1=O ZINC000103862869 557442322 /nfs/dbraw/zinc/44/23/22/557442322.db2.gz MJURASYNFLAELQ-SILNSSARSA-N 0 0 442.721 6.064 50 30 IKEARN C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000105022722 557472982 /nfs/dbraw/zinc/47/29/82/557472982.db2.gz KDWPIOPOLORVBC-DFHRPNOPSA-N 0 0 440.587 5.212 50 30 IKEARN C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000105023111 557473025 /nfs/dbraw/zinc/47/30/25/557473025.db2.gz CUBSDPUTKIWKAF-SKCUWOTOSA-N 0 0 440.587 5.212 50 30 IKEARN CC(C)(C)/N=C/C=C(\Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000017101657 557490322 /nfs/dbraw/zinc/49/03/22/557490322.db2.gz NKHFUGFAONPQQI-RWGDXKNYSA-N 0 0 437.612 7.746 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2cccc(Cl)c2)C1 ZINC000044858728 557538008 /nfs/dbraw/zinc/53/80/08/557538008.db2.gz MKCBYXVUQQJDHM-JOCHJYFZSA-N 0 0 446.938 5.447 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2ccc(F)c(F)c2)C1 ZINC000044858946 557538062 /nfs/dbraw/zinc/53/80/62/557538062.db2.gz VBPPTAHUTKQBRZ-QFIPXVFZSA-N 0 0 448.473 5.072 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 ZINC000044859193 557538449 /nfs/dbraw/zinc/53/84/49/557538449.db2.gz OPQQCNGWMJBAPQ-XMMPIXPASA-N 0 0 440.547 5.410 50 30 IKEARN Cc1ccc([C@@H]2c3c(N)nc(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000044973565 557541617 /nfs/dbraw/zinc/54/16/17/557541617.db2.gz DWMQXSRUQJLNSG-IBGZPJMESA-N 0 0 436.625 5.706 50 30 IKEARN Cc1c(C#N)c(-c2ccccc2)nc(CC(=O)c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000108332794 557542447 /nfs/dbraw/zinc/54/24/47/557542447.db2.gz IVVZAJCDAOSOSL-YZSQISJMSA-N 0 0 445.522 5.915 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccsc1 ZINC000108519744 557542912 /nfs/dbraw/zinc/54/29/12/557542912.db2.gz ISXHHSLHOQHZBA-DNVJHFABSA-N 0 0 441.943 5.686 50 30 IKEARN COc1ccc(/C=C\C(=O)c2c(OC)ccc3c(-c4ccccc4)cc(=O)oc32)cc1OC ZINC000108710298 557543617 /nfs/dbraw/zinc/54/36/17/557543617.db2.gz XCAIMLNOODYNKC-XFXZXTDPSA-N 0 0 442.467 5.382 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(OCc3ccccc3)c(OCC)c2)C1=O ZINC000002980522 557655230 /nfs/dbraw/zinc/65/52/30/557655230.db2.gz MFCQJBVXEFPPQA-CJLVFECKSA-N 0 0 433.529 5.062 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)SC1=S ZINC000002988045 557656206 /nfs/dbraw/zinc/65/62/06/557656206.db2.gz XXHMZGUWLQMRGY-YBFXNURJSA-N 0 0 449.956 5.454 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(F)cc3)o1)Nc1ccccc1-2 ZINC000002977380 557662995 /nfs/dbraw/zinc/66/29/95/557662995.db2.gz FHPRVLSVNOPMIM-NRFANRHFSA-N 0 0 432.480 5.719 50 30 IKEARN C=CCc1ccc(OCCOCCOc2ccc(Cl)cc2Br)c(OC)c1 ZINC000002985410 557681018 /nfs/dbraw/zinc/68/10/18/557681018.db2.gz GIFGRDWYXKCFEK-UHFFFAOYSA-N 0 0 441.749 5.314 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000002967188 557688111 /nfs/dbraw/zinc/68/81/11/557688111.db2.gz LHEKEQJRTNAVRD-HZHRSRAPSA-N 0 0 447.581 5.815 50 30 IKEARN C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002983959 557689323 /nfs/dbraw/zinc/68/93/23/557689323.db2.gz LXSMQPFOPBZPRT-IBGZPJMESA-N 0 0 436.621 5.966 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000851171 557830339 /nfs/dbraw/zinc/83/03/39/557830339.db2.gz NUCGYUZQUBVKPA-UHFFFAOYSA-N 0 0 447.869 6.023 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC[C@H]1COc2ccccc2O1 ZINC000000851158 557830380 /nfs/dbraw/zinc/83/03/80/557830380.db2.gz PEQIIJIMSHPZBD-OAHLLOKOSA-N 0 0 428.435 5.571 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc31)Nc1ccccc1N2 ZINC000000861254 557832527 /nfs/dbraw/zinc/83/25/27/557832527.db2.gz SSPBPHSKZQHDGD-CBZJRKILSA-N 0 0 439.946 6.801 50 30 IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000229875626 557833303 /nfs/dbraw/zinc/83/33/03/557833303.db2.gz GAKVNINHIOJQFK-KAJLVOKLSA-N 0 0 442.477 6.410 50 30 IKEARN O=S(=O)(OC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000003136946 557842418 /nfs/dbraw/zinc/84/24/18/557842418.db2.gz MOUWCLXELLTTIT-LJQANCHMSA-N 0 0 431.351 5.181 50 30 IKEARN Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc12 ZINC000000872699 557843304 /nfs/dbraw/zinc/84/33/04/557843304.db2.gz UECOOKMTKSBODN-UHFFFAOYSA-N 0 0 426.339 5.217 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000000878390 557848613 /nfs/dbraw/zinc/84/86/13/557848613.db2.gz LQKQDGKVWVCMAN-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000003873295 557852553 /nfs/dbraw/zinc/85/25/53/557852553.db2.gz QRJJEGAJXVEBNE-HKOYGPOVSA-N 0 0 429.134 6.118 50 30 fda IKEARN C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000004027386 560193249 /nfs/dbraw/zinc/19/32/49/560193249.db2.gz XWMMEBCFHUKHEX-ZJJHUPNDSA-N 0 0 426.729 8.025 50 30 biogenic,in-vitro IKEARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(C#N)c1C ZINC000000668962 562918954 /nfs/dbraw/zinc/91/89/54/562918954.db2.gz HXEHNYSFNSVPOV-UHFFFAOYSA-N 0 0 441.512 5.572 50 30 aggregator IKEARN Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 ZINC000000705843 562919074 /nfs/dbraw/zinc/91/90/74/562919074.db2.gz LIRQEBOXUUPWJJ-UHFFFAOYSA-N 0 0 433.480 5.740 50 30 IKEARN Cc1ccc(NCc2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c(C)c1 ZINC000000923601 562919622 /nfs/dbraw/zinc/91/96/22/562919622.db2.gz YFAQVEFPABQTOQ-UHFFFAOYSA-N 0 0 429.549 5.312 50 30 IKEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@@H](c2ccccc2)CC1=O ZINC000001076676 562920360 /nfs/dbraw/zinc/92/03/60/562920360.db2.gz SYRXVJCQXNAJMR-OAQYLSRUSA-N 0 0 428.576 5.687 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O ZINC000001422236 562921777 /nfs/dbraw/zinc/92/17/77/562921777.db2.gz FKVZOHKDOHNOCL-UHFFFAOYSA-N 0 0 445.353 5.555 50 30 IKEARN OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1 ZINC000001546302 562922759 /nfs/dbraw/zinc/92/27/59/562922759.db2.gz QSUSKMBNZQHHPA-UHFFFAOYSA-N 0 0 425.507 5.118 50 30 in-man IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O ZINC000002279368 562926794 /nfs/dbraw/zinc/92/67/94/562926794.db2.gz WWSWQJOGUQENNY-UHFFFAOYSA-N 0 0 441.571 6.282 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccncc1 ZINC000002618165 562928433 /nfs/dbraw/zinc/92/84/33/562928433.db2.gz JXVRJFUWGOKKGV-UHFFFAOYSA-N 0 0 449.605 5.029 50 30 IKEARN CC(C)OCCCn1c(SCc2ccccc2C#N)nc2c3ccccc3sc2c1=O ZINC000002961981 562931261 /nfs/dbraw/zinc/93/12/61/562931261.db2.gz CEFDZCQUQAMLPU-UHFFFAOYSA-N 0 0 449.601 5.590 50 30 IKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003671904 562937608 /nfs/dbraw/zinc/93/76/08/562937608.db2.gz NYARXXACJSSEKL-HXOBKFHXSA-N 0 0 428.985 5.703 50 30 IKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003671901 562937647 /nfs/dbraw/zinc/93/76/47/562937647.db2.gz NYARXXACJSSEKL-GAJHUEQPSA-N 0 0 428.985 5.703 50 30 IKEARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000006905746 562948543 /nfs/dbraw/zinc/94/85/43/562948543.db2.gz XSTGOLXPXOQCTD-RMKNXTFCSA-N 0 0 432.328 6.212 50 30 IKEARN O=C1Nc2ccc(Cl)cc2/C1=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000008426506 562949346 /nfs/dbraw/zinc/94/93/46/562949346.db2.gz QNTRTJMGXWKNAD-OICHLTCNSA-N 0 0 431.904 5.471 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(F)c1 ZINC000008590623 562951763 /nfs/dbraw/zinc/95/17/63/562951763.db2.gz QFFQPHWQTVBBAU-UHFFFAOYSA-N 0 0 426.234 6.065 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccccc2)nc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000008606777 562957138 /nfs/dbraw/zinc/95/71/38/562957138.db2.gz KYBGDEBGMURQMQ-UHFFFAOYSA-N 0 0 431.414 5.509 50 30 IKEARN COc1ccc(CNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 ZINC000008654624 562960213 /nfs/dbraw/zinc/96/02/13/562960213.db2.gz IXUJYTWINBHXJO-UHFFFAOYSA-N 0 0 435.867 5.659 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000009370648 562969599 /nfs/dbraw/zinc/96/95/99/562969599.db2.gz QAWKLARQMMWEKW-JOCHJYFZSA-N 0 0 449.890 5.140 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000009370650 562969612 /nfs/dbraw/zinc/96/96/12/562969612.db2.gz QAWKLARQMMWEKW-QFIPXVFZSA-N 0 0 449.890 5.140 50 30 IKEARN COc1ccc2ccccc2c1[C@@H]1N=C(SCc2ccc(F)cc2)NC(C)=C1C(C)=O ZINC000009779829 562976848 /nfs/dbraw/zinc/97/68/48/562976848.db2.gz NOBPYJFWIRGTQQ-XMMPIXPASA-N 0 0 434.536 5.784 50 30 IKEARN N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]31N=2 ZINC000013142637 562985235 /nfs/dbraw/zinc/98/52/35/562985235.db2.gz OTRFRNNIWWWYJW-YIIWZEITSA-N 0 0 440.550 5.049 50 30 IKEARN N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]31N=2 ZINC000013142636 562985277 /nfs/dbraw/zinc/98/52/77/562985277.db2.gz OTRFRNNIWWWYJW-DIIXFEDBSA-N 0 0 440.550 5.049 50 30 IKEARN N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1 ZINC000084711703 563177530 /nfs/dbraw/zinc/17/75/30/563177530.db2.gz QIBWSQJZKMUZAK-UHFFFAOYSA-N 0 0 431.801 6.667 50 30 IKEARN Cc1ccc(C=NNC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1 ZINC000097965604 568615484 /nfs/dbraw/zinc/61/54/84/568615484.db2.gz HIBQGRBCJKJKBL-ASFRMHBNSA-N 0 0 442.228 5.184 50 30 IKEARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)cc1 ZINC000000900646 568635523 /nfs/dbraw/zinc/63/55/23/568635523.db2.gz BMVDLWCTPIDDEM-CYBMUJFWSA-N 0 0 428.439 5.153 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C#N)c2)c1-c1ccc(C#N)cc1 ZINC000025147295 568641389 /nfs/dbraw/zinc/64/13/89/568641389.db2.gz NILIVAJDLPAGHL-UHFFFAOYSA-N 0 0 448.526 5.941 50 30 IKEARN C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nc2sc3c(c2c1=O)CCCC3 ZINC000000943181 568641781 /nfs/dbraw/zinc/64/17/81/568641781.db2.gz OILNIBCSBOHGCU-UHFFFAOYSA-N 0 0 449.601 5.288 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 ZINC000000952989 568645048 /nfs/dbraw/zinc/64/50/48/568645048.db2.gz GLCWESATTUQJBY-XMMPIXPASA-N 0 0 449.522 5.182 50 30 IKEARN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025161468 568647073 /nfs/dbraw/zinc/64/70/73/568647073.db2.gz VBEVMNOVKDDEAU-UHFFFAOYSA-N 0 0 448.595 6.947 50 30 IKEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000974030 568647824 /nfs/dbraw/zinc/64/78/24/568647824.db2.gz CAUZOPUGFBYSMU-WQRHYEAKSA-N 0 0 425.853 5.400 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)o1 ZINC000000997104 568648225 /nfs/dbraw/zinc/64/82/25/568648225.db2.gz ZEAUUTQQMKSDAH-AWEZNQCLSA-N 0 0 427.529 6.114 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)o1 ZINC000000997105 568648352 /nfs/dbraw/zinc/64/83/52/568648352.db2.gz ZEAUUTQQMKSDAH-CQSZACIVSA-N 0 0 427.529 6.114 50 30 IKEARN CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccccc1C#N ZINC000000978921 568648613 /nfs/dbraw/zinc/64/86/13/568648613.db2.gz BBFNCKCNBXMZKI-UHFFFAOYSA-N 0 0 431.517 5.118 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000000993757 568649341 /nfs/dbraw/zinc/64/93/41/568649341.db2.gz JONSVWVNVJWECN-AREMUKBSSA-N 0 0 431.580 5.696 50 30 IKEARN CCOc1ccc2ccccc2c1C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N ZINC000001000956 568650048 /nfs/dbraw/zinc/65/00/48/568650048.db2.gz OYCYQPRUUGZJCY-UHFFFAOYSA-N 0 0 435.549 5.214 50 30 IKEARN COc1ccc(-c2c3c(nc(SCC(=O)Nc4ccc(C)cc4)c2C#N)CCC3)cc1 ZINC000001017314 568651857 /nfs/dbraw/zinc/65/18/57/568651857.db2.gz IICDMQRKYHGZPW-UHFFFAOYSA-N 0 0 429.545 5.157 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)Nc1ccccc1F ZINC000001022735 568653224 /nfs/dbraw/zinc/65/32/24/568653224.db2.gz RBDMPKMBAGHIQX-WYMPLXKRSA-N 0 0 437.521 5.622 50 30 IKEARN CC(C)c1cc(Br)c(NC(=O)Nc2ccc(C#N)cc2)c(Br)c1 ZINC000001032799 568653815 /nfs/dbraw/zinc/65/38/15/568653815.db2.gz VUCXYPKUQQLJGP-UHFFFAOYSA-N 0 0 437.135 5.851 50 30 IKEARN COC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C ZINC000001077950 568654840 /nfs/dbraw/zinc/65/48/40/568654840.db2.gz WTTFEPDTGBBKGA-UHFFFAOYSA-N 0 0 425.318 5.489 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)NCCc1ccccc1 ZINC000001058997 568655377 /nfs/dbraw/zinc/65/53/77/568655377.db2.gz GORLEAICECERQT-JFLMPSFJSA-N 0 0 449.576 5.637 50 30 IKEARN N#Cc1c(SCCC(=O)Nc2ccccc2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000001063158 568655626 /nfs/dbraw/zinc/65/56/26/568655626.db2.gz JKBDAXQCQJGYKE-UHFFFAOYSA-N 0 0 427.451 5.760 50 30 IKEARN COc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 ZINC000001065118 568655948 /nfs/dbraw/zinc/65/59/48/568655948.db2.gz XEWLVIYGZFVAIE-LPYMAVHISA-N 0 0 430.289 5.458 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 ZINC000025391341 568656236 /nfs/dbraw/zinc/65/62/36/568656236.db2.gz RVFQAHQGMZYNPS-SFHVURJKSA-N 0 0 441.531 5.053 50 30 IKEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c(C)c1 ZINC000001068400 568656530 /nfs/dbraw/zinc/65/65/30/568656530.db2.gz POLQYPVNZHMTEU-WOLPYFHWSA-N 0 0 443.572 5.464 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001079490 568656781 /nfs/dbraw/zinc/65/67/81/568656781.db2.gz DJQIISWFCCPVQJ-INIZCTEOSA-N 0 0 426.419 5.037 50 30 IKEARN COc1ccccc1NC(=O)c1sc(NC(=O)CCCc2ccccc2)c(C#N)c1C ZINC000001088140 568658278 /nfs/dbraw/zinc/65/82/78/568658278.db2.gz UWOZTIRSWDINGP-UHFFFAOYSA-N 0 0 433.533 5.151 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001097818 568658854 /nfs/dbraw/zinc/65/88/54/568658854.db2.gz PHBSIRLDUCKWOM-XMMPIXPASA-N 0 0 426.516 5.292 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1 ZINC000001115336 568659621 /nfs/dbraw/zinc/65/96/21/568659621.db2.gz PXOBTKJKMKNXGA-GFCCVEGCSA-N 0 0 441.350 6.019 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000001119704 568659897 /nfs/dbraw/zinc/65/98/97/568659897.db2.gz RFACMNBJPKLSCG-UHFFFAOYSA-N 0 0 440.524 5.270 50 30 IKEARN Cn1c(SCc2ccccc2C#N)nnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000001130735 568661559 /nfs/dbraw/zinc/66/15/59/568661559.db2.gz VORLTAZAJWRHPN-UHFFFAOYSA-N 0 0 443.507 5.037 50 30 IKEARN Brc1ccc(/N=C/c2ccc(/C=N/c3ccc(Br)cn3)cc2)nc1 ZINC000015134537 568663713 /nfs/dbraw/zinc/66/37/13/568663713.db2.gz HCBCOXVARXYYQX-VGENTYGXSA-N 0 0 444.130 5.503 50 30 IKEARN Cc1cc(Br)c(O)c(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000015134300 568663930 /nfs/dbraw/zinc/66/39/30/568663930.db2.gz GUMNIPNVVIJYCB-KSEXSDGBSA-N 0 0 439.334 6.196 50 30 IKEARN O=C1/C(=N\N=C2c3ccccc3-c3ccccc32)c2ccccc2N1Cc1ccccc1Cl ZINC000015231367 568735125 /nfs/dbraw/zinc/73/51/25/568735125.db2.gz OXYQGQVACAPRJP-QVTSOHHYSA-N 0 0 447.925 6.109 50 30 IKEARN N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccccc4Cl)c3)C2=O)cc1 ZINC000034735443 568737596 /nfs/dbraw/zinc/73/75/96/568737596.db2.gz INWCNFHKAXNBKP-UHFFFAOYSA-N 0 0 444.922 5.296 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)SC(=C2C(=O)c3ccccc3C2=O)N1c1ccccc1 ZINC000137027664 568738005 /nfs/dbraw/zinc/73/80/05/568738005.db2.gz ZLJRVLKZKZJNKM-UHFFFAOYSA-N 0 0 438.508 5.401 50 30 IKEARN COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000034908984 568739381 /nfs/dbraw/zinc/73/93/81/568739381.db2.gz VXRWJJCXEXIGDX-QFIPXVFZSA-N 0 0 438.487 5.744 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000001217702 568740818 /nfs/dbraw/zinc/74/08/18/568740818.db2.gz PIKWZUCRTCRENM-WXTAPIANSA-N 0 0 441.487 5.583 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCc1ccccc1 ZINC000001916312 568742247 /nfs/dbraw/zinc/74/22/47/568742247.db2.gz HEJKOCSADUMYGF-UHFFFAOYSA-N 0 0 435.552 5.696 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1C1CCCCC1 ZINC000003332856 568746545 /nfs/dbraw/zinc/74/65/45/568746545.db2.gz CPLXFAUEBUPZET-UHFFFAOYSA-N 0 0 432.593 5.910 50 30 IKEARN CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000003368331 568747537 /nfs/dbraw/zinc/74/75/37/568747537.db2.gz UAWSSBZOZQJNLA-UHFFFAOYSA-N 0 0 429.538 5.669 50 30 IKEARN O=C(c1cccs1)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000003622582 568751525 /nfs/dbraw/zinc/75/15/25/568751525.db2.gz LYIAJHNBAJIGRX-VWLOTQADSA-N 0 0 436.536 6.085 50 30 IKEARN O=C(c1cccs1)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000003622584 568751609 /nfs/dbraw/zinc/75/16/09/568751609.db2.gz LYIAJHNBAJIGRX-RUZDIDTESA-N 0 0 436.536 6.085 50 30 IKEARN O=C(C=C(Nc1ccc(Br)cc1)C(F)(F)F)c1ccc(Br)cc1 ZINC000003668792 568754125 /nfs/dbraw/zinc/75/41/25/568754125.db2.gz JKPZBHYOSUHICB-OQLLNIDSSA-N 0 0 449.064 5.953 50 30 IKEARN O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000003669533 568754130 /nfs/dbraw/zinc/75/41/30/568754130.db2.gz MWXOYKBNFIYWBT-MHZLTWQESA-N 0 0 448.497 6.163 50 30 IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccccc2Cl)CC(=O)O3)C1=O ZINC000263584865 568758963 /nfs/dbraw/zinc/75/89/63/568758963.db2.gz BRBHDKFDQXTHIG-CTPANLQCSA-N 0 0 432.859 5.406 50 30 biogenic IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O ZINC000263586593 568759339 /nfs/dbraw/zinc/75/93/39/568759339.db2.gz WAORZBROFWIQDM-SJJOQSKNSA-N 0 0 434.394 5.031 50 30 biogenic IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O ZINC000263586474 568759482 /nfs/dbraw/zinc/75/94/82/568759482.db2.gz UTXXZOLHNGBYPU-DEYGKZMTSA-N 0 0 449.462 5.301 50 30 biogenic IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000004035914 568759649 /nfs/dbraw/zinc/75/96/49/568759649.db2.gz MIWCWTRTLAOELW-JIPXPUAJSA-N 0 0 435.527 5.392 50 30 IKEARN Cc1cccc(Nc2nc(N=NCc3ccc(Cl)cc3)nc(N3CCC(C)CC3)n2)c1C ZINC000004044955 568759694 /nfs/dbraw/zinc/75/96/94/568759694.db2.gz IJQHFJJIZKTLLF-CVKSISIWSA-N 0 0 449.990 5.568 50 30 IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000004035911 568759738 /nfs/dbraw/zinc/75/97/38/568759738.db2.gz MIWCWTRTLAOELW-IDISGSTGSA-N 0 0 435.527 5.392 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004062241 568760118 /nfs/dbraw/zinc/76/01/18/568760118.db2.gz RPJYQERFYOCLIV-PPHZAIPVSA-N 0 0 444.962 6.718 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1Cl ZINC000004078587 568760593 /nfs/dbraw/zinc/76/05/93/568760593.db2.gz PQZNRMSRUHBYOC-HSZRJFAPSA-N 0 0 426.919 6.032 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001245849 568774755 /nfs/dbraw/zinc/77/47/55/568774755.db2.gz ZHSQQFRKGJRADX-SFHVURJKSA-N 0 0 426.607 5.272 50 30 IKEARN Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c1 ZINC000004105621 568775423 /nfs/dbraw/zinc/77/54/23/568775423.db2.gz FSSNWONTRIYKEH-NPGCFZLRSA-N 0 0 447.560 6.313 50 30 IKEARN N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)c(Br)c2)cc1C#N ZINC000001265677 568775429 /nfs/dbraw/zinc/77/54/29/568775429.db2.gz GNQOIPVSDYBSJA-UHFFFAOYSA-N 0 0 441.244 5.520 50 30 IKEARN CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(N(C)C)cc2)CCC3)cc1 ZINC000004108603 568775650 /nfs/dbraw/zinc/77/56/50/568775650.db2.gz SCJGCKQBZBFASA-WGOQTCKBSA-N 0 0 433.577 5.704 50 30 IKEARN CC1(C)Cc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C#N)cc2C(=O)C1 ZINC000001301551 568779019 /nfs/dbraw/zinc/77/90/19/568779019.db2.gz URZQZDUXRVJHBC-UHFFFAOYSA-N 0 0 434.348 5.146 50 30 IKEARN C[C@H](NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000001304560 568779215 /nfs/dbraw/zinc/77/92/15/568779215.db2.gz ZTAJNUUCTRKCMJ-HRQGHCQOSA-N 0 0 429.545 5.090 50 30 IKEARN O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000001310244 568779485 /nfs/dbraw/zinc/77/94/85/568779485.db2.gz IXYNYRDZCVBPMT-WCTVFOPTSA-N 0 0 427.523 5.205 50 30 IKEARN COc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1Cl ZINC000004144719 568781940 /nfs/dbraw/zinc/78/19/40/568781940.db2.gz DCBKCPVLUXVXGS-UHFFFAOYSA-N 0 0 432.936 5.760 50 30 IKEARN COc1cc(C(=O)Nc2cc(C#N)ccc2Sc2ccc(C)cc2)cc(OC)c1OC ZINC000001383039 568784009 /nfs/dbraw/zinc/78/40/09/568784009.db2.gz QHGBTCQFNNTTFK-UHFFFAOYSA-N 0 0 434.517 5.296 50 30 IKEARN N#C[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000001389525 568784934 /nfs/dbraw/zinc/78/49/34/568784934.db2.gz FGFBGJULTWVNAN-LBPRGKRZSA-N 0 0 426.276 5.231 50 30 IKEARN COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2OC)cc1 ZINC000004184563 568787345 /nfs/dbraw/zinc/78/73/45/568787345.db2.gz BBRMEOCLDGFBQQ-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731472 568792541 /nfs/dbraw/zinc/79/25/41/568792541.db2.gz IVDPNZJDFYAFMR-XMMPIXPASA-N 0 0 444.506 5.431 50 30 IKEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000016789657 568792806 /nfs/dbraw/zinc/79/28/06/568792806.db2.gz WPSSPCAABJONCJ-WGOQTCKBSA-N 0 0 439.544 5.517 50 30 IKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2 ZINC000001424706 568793769 /nfs/dbraw/zinc/79/37/69/568793769.db2.gz WGADOOZKZYOCEQ-PUAOIOHZSA-N 0 0 436.467 5.515 50 30 IKEARN CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)cc2Cl)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000019202037 568793942 /nfs/dbraw/zinc/79/39/42/568793942.db2.gz ILQVPHGLJPFAMX-RTBURBONSA-N 0 0 430.162 6.096 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001427285 568793947 /nfs/dbraw/zinc/79/39/47/568793947.db2.gz SQHYDVPMWNWVHI-CRICUBBOSA-N 0 0 441.556 5.143 50 30 IKEARN CC(=O)C1=C(C)N[C@H](c2ccc(Cl)cc2Cl)N[C@H]1c1ccc(Cl)cc1Cl ZINC000019202049 568793978 /nfs/dbraw/zinc/79/39/78/568793978.db2.gz ILQVPHGLJPFAMX-OALUTQOASA-N 0 0 430.162 6.096 50 30 IKEARN CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001430112 568794316 /nfs/dbraw/zinc/79/43/16/568794316.db2.gz PBTQKDHOKIUUQU-DOTOQJQBSA-N 0 0 429.347 5.187 50 30 IKEARN CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001430113 568794416 /nfs/dbraw/zinc/79/44/16/568794416.db2.gz PBTQKDHOKIUUQU-RDJZCZTQSA-N 0 0 429.347 5.187 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccsc1 ZINC000001429677 568794506 /nfs/dbraw/zinc/79/45/06/568794506.db2.gz WQHQQWGORFXHFO-MRXNPFEDSA-N 0 0 436.602 5.724 50 30 IKEARN COc1ccccc1[C@H]1CC(=O)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CCC2 ZINC000001430773 568794533 /nfs/dbraw/zinc/79/45/33/568794533.db2.gz OVFUNMHMPDLFNT-QGZVFWFLSA-N 0 0 432.545 5.035 50 30 IKEARN Oc1c(I)cccc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000001433848 568795656 /nfs/dbraw/zinc/79/56/56/568795656.db2.gz MAPNXSLHDIZZGA-WSDLNYQXSA-N 0 0 440.240 5.556 50 30 IKEARN N#Cc1sc(-c2cccc(Cl)c2)cc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000084579386 568799038 /nfs/dbraw/zinc/79/90/38/568799038.db2.gz NAFHPBJNPRFUPK-MRXNPFEDSA-N 0 0 435.936 5.470 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000003768788 568803574 /nfs/dbraw/zinc/80/35/74/568803574.db2.gz KQQOATJNMIUHCX-KGENOOAVSA-N 0 0 425.575 5.673 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000103554761 568806744 /nfs/dbraw/zinc/80/67/44/568806744.db2.gz FFPWFNSTHNZZLR-FDSZKQNJSA-N 0 0 448.636 6.356 50 30 biogenic IKEARN C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000008434842 568812857 /nfs/dbraw/zinc/81/28/57/568812857.db2.gz JMKTWGKUZAVBOE-UHFFFAOYSA-N 0 0 433.489 5.203 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(CCC=C(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000008452648 568812908 /nfs/dbraw/zinc/81/29/08/568812908.db2.gz VFNQPQLDBNDLTA-LJFZDNNRSA-N 0 0 448.636 6.666 50 30 IKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 ZINC000008433407 568812947 /nfs/dbraw/zinc/81/29/47/568812947.db2.gz VJQCCQHXCAKKGA-UHFFFAOYSA-N 0 0 440.490 6.805 50 30 IKEARN C=C(C)CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 ZINC000008742635 568816333 /nfs/dbraw/zinc/81/63/33/568816333.db2.gz YRQQONMXMQARGJ-UHFFFAOYSA-N 0 0 438.647 6.178 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c(OC)c1 ZINC000001448040 568817519 /nfs/dbraw/zinc/81/75/19/568817519.db2.gz SZYVKFVRUYQEGK-RMORIDSASA-N 0 0 440.854 5.692 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000009500191 568818831 /nfs/dbraw/zinc/81/88/31/568818831.db2.gz OWKWRPVCDMNOPV-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009497116 568818847 /nfs/dbraw/zinc/81/88/47/568818847.db2.gz SDSFXVLNHZHGPF-UHFFFAOYSA-N 0 0 431.527 6.740 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Cl)cc1 ZINC000009478367 568818881 /nfs/dbraw/zinc/81/88/81/568818881.db2.gz CKCHEFNBHAYCKP-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCN(CC=C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000009994663 568819667 /nfs/dbraw/zinc/81/96/67/568819667.db2.gz MZAPZNQSLWJYLY-MRXNPFEDSA-N 0 0 442.650 6.027 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(F)cc1 ZINC000006077152 568821201 /nfs/dbraw/zinc/82/12/01/568821201.db2.gz XAYYHUCDEMJUOB-SANMLTNESA-N 0 0 440.518 6.279 50 30 IKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000001480037 568824062 /nfs/dbraw/zinc/82/40/62/568824062.db2.gz NYBXNMGBHFAUHO-FQEVSTJZSA-N 0 0 446.528 5.054 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1cccc(Cl)c1 ZINC000013805720 568824089 /nfs/dbraw/zinc/82/40/89/568824089.db2.gz LIROWGCGBPQLRG-MRXNPFEDSA-N 0 0 441.000 6.029 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000013804917 568824100 /nfs/dbraw/zinc/82/41/00/568824100.db2.gz KGWXJVWJIBIDAN-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1C ZINC000013785470 568824108 /nfs/dbraw/zinc/82/41/08/568824108.db2.gz BHWDXUGRKZDAQU-MOSHPQCFSA-N 0 0 433.558 5.742 50 30 IKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000001480038 568824152 /nfs/dbraw/zinc/82/41/52/568824152.db2.gz NYBXNMGBHFAUHO-HXUWFJFHSA-N 0 0 446.528 5.054 50 30 IKEARN C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O ZINC000013896320 568824611 /nfs/dbraw/zinc/82/46/11/568824611.db2.gz PJLWIOJMHAQWLI-XSFVSMFZSA-N 0 0 445.993 5.357 50 30 IKEARN C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccncc1 ZINC000014069303 568824732 /nfs/dbraw/zinc/82/47/32/568824732.db2.gz PQCFORSISUTZBS-NRFANRHFSA-N 0 0 445.523 5.137 50 30 IKEARN C=CCN(C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccccc2)cs1 ZINC000014197014 568824890 /nfs/dbraw/zinc/82/48/90/568824890.db2.gz NKGJPUPFDVOVBS-UHFFFAOYSA-N 0 0 433.558 5.678 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccc(F)c(Cl)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000085581354 568825371 /nfs/dbraw/zinc/82/53/71/568825371.db2.gz ZBDHRZXECHFPSJ-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OCC ZINC000015930505 568828886 /nfs/dbraw/zinc/82/88/86/568828886.db2.gz LUQDOVXUQLFKQV-WOJGMQOQSA-N 0 0 431.319 5.763 50 30 IKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000016729081 568830132 /nfs/dbraw/zinc/83/01/32/568830132.db2.gz QSMKSFTYQKHACJ-UHFFFAOYSA-N 0 0 426.463 6.496 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc2ccccc21)CCC3 ZINC000000628515 568832006 /nfs/dbraw/zinc/83/20/06/568832006.db2.gz TWULKHZKCIIPLC-UHFFFAOYSA-N 0 0 447.585 5.017 50 30 IKEARN C=CCn1c(CNc2ccc(C)cc2)nnc1SCc1cccc(Br)c1 ZINC000000673506 568832075 /nfs/dbraw/zinc/83/20/75/568832075.db2.gz VZXDETNBDZLQKG-UHFFFAOYSA-N 0 0 429.387 5.439 50 30 IKEARN COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1OC ZINC000001501449 568832213 /nfs/dbraw/zinc/83/22/13/568832213.db2.gz VGRJLELFCNHQMK-ZVHZXABRSA-N 0 0 426.310 5.513 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)sc1c2CCCC1 ZINC000000826960 568832429 /nfs/dbraw/zinc/83/24/29/568832429.db2.gz HWZBZCMMNSVFEZ-UHFFFAOYSA-N 0 0 430.982 5.151 50 30 IKEARN C=C(C)Cn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000985912 568832623 /nfs/dbraw/zinc/83/26/23/568832623.db2.gz BDJRADCDPIEVTP-OAHLLOKOSA-N 0 0 426.607 5.460 50 30 IKEARN C=CCc1cccc2cc(C(=O)Nc3cccc(-c4cn5cccc(C)c5n4)c3)c(=O)oc21 ZINC000001064096 568832979 /nfs/dbraw/zinc/83/29/79/568832979.db2.gz WVDBOGPSMQHNLU-UHFFFAOYSA-N 0 0 435.483 5.397 50 30 IKEARN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1O ZINC000001135982 568833323 /nfs/dbraw/zinc/83/33/23/568833323.db2.gz LCPKKKLPZYJXGV-ZDLGFXPLSA-N 0 0 447.965 5.197 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000001124675 568833345 /nfs/dbraw/zinc/83/33/45/568833345.db2.gz SEYXWBFDICIKQK-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000001111576 568833480 /nfs/dbraw/zinc/83/34/80/568833480.db2.gz RZUZOPXILXMCIW-UHFFFAOYSA-N 0 0 446.981 5.170 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(CC)cc2c1=O ZINC000001177253 568833494 /nfs/dbraw/zinc/83/34/94/568833494.db2.gz JBHYHQLOQCJRLG-UHFFFAOYSA-N 0 0 445.418 5.550 50 30 IKEARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000026070505 568834282 /nfs/dbraw/zinc/83/42/82/568834282.db2.gz RMIRWTCMVTZAER-UHFFFAOYSA-N 0 0 433.283 5.181 50 30 IKEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)[C@@H](C)CCC3 ZINC000001833406 568834295 /nfs/dbraw/zinc/83/42/95/568834295.db2.gz NPBOWTNVEQIBAF-HNNXBMFYSA-N 0 0 436.606 5.511 50 30 IKEARN C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002271074 568834845 /nfs/dbraw/zinc/83/48/45/568834845.db2.gz ZYJRLIUIYRRYRO-SFHVURJKSA-N 0 0 438.662 6.477 50 30 IKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000002208277 568834878 /nfs/dbraw/zinc/83/48/78/568834878.db2.gz ZHNXOZGJWAKTPQ-UHFFFAOYSA-N 0 0 439.393 5.154 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2sc(C)c(C)c2c1=O ZINC000002381810 568835008 /nfs/dbraw/zinc/83/50/08/568835008.db2.gz RSFBQXSHUDDRBK-UHFFFAOYSA-N 0 0 448.013 5.262 50 30 IKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000002331715 568835053 /nfs/dbraw/zinc/83/50/53/568835053.db2.gz JKLBFRGBEQXBAW-UHFFFAOYSA-N 0 0 439.393 5.154 50 30 IKEARN C=CCSc1nc2c(c(-c3ccc(Br)cc3)c1C#N)C(=O)CC(C)(C)C2 ZINC000002372136 568835228 /nfs/dbraw/zinc/83/52/28/568835228.db2.gz SRPZCPMBPGPHQE-UHFFFAOYSA-N 0 0 427.367 5.816 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000002442033 568835701 /nfs/dbraw/zinc/83/57/01/568835701.db2.gz XOHICBOFFLQNLQ-UHFFFAOYSA-N 0 0 449.363 5.081 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1Cl ZINC000002450406 568835877 /nfs/dbraw/zinc/83/58/77/568835877.db2.gz CINQVMIDPMPSEU-UHFFFAOYSA-N 0 0 437.327 5.308 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000002446887 568835906 /nfs/dbraw/zinc/83/59/06/568835906.db2.gz PVAZXYCXSBZOCE-UHFFFAOYSA-N 0 0 426.973 5.441 50 30 IKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cccc(Cl)c2)c1O ZINC000001509896 568836158 /nfs/dbraw/zinc/83/61/58/568836158.db2.gz PGZUTYVYBKSRQJ-UFWORHAWSA-N 0 0 433.527 5.720 50 30 IKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000001118593 568836659 /nfs/dbraw/zinc/83/66/59/568836659.db2.gz FCZJQKYLOUNOCD-LJQANCHMSA-N 0 0 428.271 5.365 50 30 IKEARN C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000002510500 568838380 /nfs/dbraw/zinc/83/83/80/568838380.db2.gz SDDVBGAFXOPTRO-UHFFFAOYSA-N 0 0 429.998 5.693 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2Cl)nc1 ZINC000027532836 568838480 /nfs/dbraw/zinc/83/84/80/568838480.db2.gz DRPXVZFRVWTWGG-OAQYLSRUSA-N 0 0 442.346 5.303 50 30 IKEARN CCOc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(OCC)cc3)=C(Cl)C2=O)cc1 ZINC000002143485 568842022 /nfs/dbraw/zinc/84/20/22/568842022.db2.gz YTVQRYQPFCCLEC-UHFFFAOYSA-N 0 0 447.318 5.061 50 30 IKEARN CSc1nc(NCCOC(=O)C(C)(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000015831986 568842228 /nfs/dbraw/zinc/84/22/28/568842228.db2.gz SNRRGCYDJHJCBM-UHFFFAOYSA-N 0 0 426.586 5.036 50 30 IKEARN COc1cc(C=Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)Nc1cccc(Cl)c1 ZINC000002173845 568842246 /nfs/dbraw/zinc/84/22/46/568842246.db2.gz PGBYATWTRARJNM-BRJLIKDPSA-N 0 0 449.721 7.017 50 30 IKEARN O=C(Nc1cccc2c(NC(=O)ON=C3CCCCC3)cccc12)ON=C1CCCCC1 ZINC000025692463 568842580 /nfs/dbraw/zinc/84/25/80/568842580.db2.gz PYBRNGOWMBOWTC-UHFFFAOYSA-N 0 0 436.512 6.577 50 30 IKEARN C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC3=O)CC[C@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000071786330 568843357 /nfs/dbraw/zinc/84/33/57/568843357.db2.gz CQXWQXWSQQSTQB-HDMDDYEVSA-N 0 0 428.594 5.253 50 30 IKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000100061159 568843379 /nfs/dbraw/zinc/84/33/79/568843379.db2.gz LCWOHEQEDRUWFP-UHFFFAOYSA-N 0 0 426.623 6.354 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N ZINC000100684584 568843406 /nfs/dbraw/zinc/84/34/06/568843406.db2.gz KIRKIFVRLQTIHA-UHFFFAOYSA-N 0 0 446.680 6.020 50 30 IKEARN C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC3=O)CC[C@@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000071786331 568843513 /nfs/dbraw/zinc/84/35/13/568843513.db2.gz CQXWQXWSQQSTQB-HLEJILCDSA-N 0 0 428.594 5.253 50 30 IKEARN C=C1C[C@@H]2[C@@H](C[C@H](C)[C@H]2OCc2ccc(OC)cc2)[C@@]2(O)[C@H]1C[C@H]1C(C)(C)CC(=O)[C@@]12C ZINC000071786755 568843538 /nfs/dbraw/zinc/84/35/38/568843538.db2.gz QIHUPRXUAFZFNA-WCFBQBBRSA-N 0 0 438.608 5.185 50 30 IKEARN CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CNc1cccc(Cl)c1C ZINC000101016023 568843578 /nfs/dbraw/zinc/84/35/78/568843578.db2.gz QVSQMUMIIKKALF-UHFFFAOYSA-N 0 0 432.992 7.688 50 30 IKEARN CCCCCCCCCCCCCCCC[C@@H](S)C(=O)Nc1ccc(Cl)cc1 ZINC000101017937 568843665 /nfs/dbraw/zinc/84/36/65/568843665.db2.gz SGYOJHLVFNCXPP-HSZRJFAPSA-N 0 0 426.110 8.448 50 30 IKEARN O=C1CCCC(=O)C1[C@H](Sc1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000101082259 568843672 /nfs/dbraw/zinc/84/36/72/568843672.db2.gz UXFUODISDMCESE-MALKISGLSA-N 0 0 438.592 7.010 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000101020068 568843702 /nfs/dbraw/zinc/84/37/02/568843702.db2.gz KPNVLRCXTPFZOQ-UHFFFAOYSA-N 0 0 436.680 9.521 50 30 IKEARN CCOC(=O)[C@H](CC)Sc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N ZINC000006134514 568844813 /nfs/dbraw/zinc/84/48/13/568844813.db2.gz JJLIDQBSPIEYDR-DEOSSOPVSA-N 0 0 446.572 6.120 50 30 IKEARN Cc1cccc(N=C2C=C(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 ZINC000006133473 568844987 /nfs/dbraw/zinc/84/49/87/568844987.db2.gz BBXRIIAIOYPUKD-YYADALCUSA-N 0 0 436.920 5.019 50 30 IKEARN CC1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 ZINC000006172524 568850918 /nfs/dbraw/zinc/85/09/18/568850918.db2.gz DPCPTISPIMFHIU-PWDIZTEBSA-N 0 0 446.182 6.678 50 30 IKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1(NCc1ccccc1)c1ccccc1 ZINC000019534892 568854629 /nfs/dbraw/zinc/85/46/29/568854629.db2.gz IHOKZJJHJWKVFD-WJOKGBTCSA-N 0 0 427.547 6.547 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1OCC ZINC000019637559 568854914 /nfs/dbraw/zinc/85/49/14/568854914.db2.gz GQQOZHSNAQIHRV-UHFFFAOYSA-N 0 0 442.972 5.222 50 30 IKEARN CC(C)OC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000019638818 568854936 /nfs/dbraw/zinc/85/49/36/568854936.db2.gz CSPAKWLFOPDOMO-OAQYLSRUSA-N 0 0 443.568 5.576 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S ZINC000019799103 568855078 /nfs/dbraw/zinc/85/50/78/568855078.db2.gz IMLFGUSTQOTZKB-HMMYKYKNSA-N 0 0 445.993 5.575 50 30 IKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(Cc1ccccc1)C3 ZINC000019851281 568855393 /nfs/dbraw/zinc/85/53/93/568855393.db2.gz UOSFFHVYQFGKGG-UHFFFAOYSA-N 0 0 445.613 5.284 50 30 IKEARN C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC ZINC000023011494 568859265 /nfs/dbraw/zinc/85/92/65/568859265.db2.gz JGQMVRMZGQYQPF-MHWRWJLKSA-N 0 0 443.503 5.556 50 30 IKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000029599343 568865455 /nfs/dbraw/zinc/86/54/55/568865455.db2.gz CABMPJQPOOZFME-UHFFFAOYSA-N 0 0 434.970 5.371 50 30 IKEARN CCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC ZINC000016035621 568867815 /nfs/dbraw/zinc/86/78/15/568867815.db2.gz JZQUDYXBJCQZOK-HSZRJFAPSA-N 0 0 438.593 5.330 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@@H](C#N)[C@@]2(O)C1 ZINC000017299291 568875778 /nfs/dbraw/zinc/87/57/78/568875778.db2.gz IKAYYSYGCHKPAB-FCUQQOBWSA-N 0 0 443.716 6.987 50 30 IKEARN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000006191015 568876470 /nfs/dbraw/zinc/87/64/70/568876470.db2.gz QZAMGFJJNXJINQ-UHFFFAOYSA-N 0 0 447.575 5.023 50 30 IKEARN Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006245065 568880737 /nfs/dbraw/zinc/88/07/37/568880737.db2.gz OPAPOOPFUJXHSP-UHFFFAOYSA-N 0 0 440.999 7.850 50 30 IKEARN COc1cccc(/C=C/C(=O)c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)c1 ZINC000006282966 568881935 /nfs/dbraw/zinc/88/19/35/568881935.db2.gz JLYBIWMRLQKUMJ-JLHYYAGUSA-N 0 0 426.428 5.008 50 30 IKEARN CCC(=[NH+]CCc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000102441336 568884958 /nfs/dbraw/zinc/88/49/58/568884958.db2.gz PVUUIVVSEAHGHG-CVKSISIWSA-N 0 0 444.482 5.648 50 30 IKEARN COc1ccc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)cc1 ZINC000016382241 568885749 /nfs/dbraw/zinc/88/57/49/568885749.db2.gz JRLFMUPXJYWWIY-UHFFFAOYSA-N 0 0 433.577 5.160 50 30 IKEARN C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)cc1 ZINC000013633744 568892987 /nfs/dbraw/zinc/89/29/87/568892987.db2.gz BHUNOURHCFITPO-GTWSWNCMSA-N 0 0 449.510 6.173 50 30 IKEARN CCCCOc1ccc(/C=C2/CN(CC)C/C(=C/c3ccc(OCCCC)cc3)C2=O)cc1 ZINC000033692498 568896065 /nfs/dbraw/zinc/89/60/65/568896065.db2.gz YLBPZFUDYOLCMF-DQIQZUARSA-N 0 0 447.619 6.416 50 30 IKEARN CCCCCCCCOc1ccc(/C=C(/C(C)=O)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000097981610 568899853 /nfs/dbraw/zinc/89/98/53/568899853.db2.gz DLMGCQGOUGKKMW-ULJHMMPZSA-N 0 0 441.999 6.999 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000104086770 568901483 /nfs/dbraw/zinc/90/14/83/568901483.db2.gz NXUKRGQBLOKKPD-JBCNATCCSA-N 0 0 448.316 5.384 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2C1 ZINC000001771062 568905965 /nfs/dbraw/zinc/90/59/65/568905965.db2.gz BIZJNXZVDYTJMX-OAHLLOKOSA-N 0 0 428.513 5.062 50 30 IKEARN C=C(Br)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000001815304 568915340 /nfs/dbraw/zinc/91/53/40/568915340.db2.gz DQEQOPIWUNQERE-UHFFFAOYSA-N 0 0 434.428 6.242 50 30 IKEARN N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)c(C3CCCCC3)c2)cc1C#N ZINC000001851076 568916612 /nfs/dbraw/zinc/91/66/12/568916612.db2.gz QFHUSFGLZOUCMY-UHFFFAOYSA-N 0 0 444.494 6.806 50 30 IKEARN C=CC#CC(C)(C)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1 ZINC000001875500 568917298 /nfs/dbraw/zinc/91/72/98/568917298.db2.gz FHYOTDSREMMDFW-UHFFFAOYSA-N 0 0 449.510 6.716 50 30 IKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(C)c(Cl)c2)c1O ZINC000001883289 568917519 /nfs/dbraw/zinc/91/75/19/568917519.db2.gz UMEVUHFVSWXQLC-DNTJNYDQSA-N 0 0 447.554 6.028 50 30 IKEARN Cc1ccc(Nc2oc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)nc2C#N)cc1 ZINC000026841695 568917914 /nfs/dbraw/zinc/91/79/14/568917914.db2.gz OEMWCMDAJUMLFI-CPNJWEJPSA-N 0 0 446.557 5.042 50 30 IKEARN O=C(Oc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1)c1ccc(Cl)cc1 ZINC000006473682 568920043 /nfs/dbraw/zinc/92/00/43/568920043.db2.gz CTWRELATGGZUTG-ZHZULCJRSA-N 0 0 434.904 5.451 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 ZINC000006474348 568920044 /nfs/dbraw/zinc/92/00/44/568920044.db2.gz DZGNLVWDRFZVFH-UHFFFAOYSA-N 0 0 440.955 6.916 50 30 IKEARN CC(C)(C)c1ccc2oc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000001921061 568923259 /nfs/dbraw/zinc/92/32/59/568923259.db2.gz OKWZDIYDMBCAMI-BLZGDTNESA-N 0 0 425.488 7.116 50 30 IKEARN COc1ncnc2c1N=C1CC(C)(C)CC(N/N=C/c3ccc(Cl)cc3Cl)=C1S2 ZINC000001957934 568924063 /nfs/dbraw/zinc/92/40/63/568924063.db2.gz BSVRELIEJXKACP-YCPBAFNGSA-N 0 0 448.379 5.626 50 30 IKEARN CCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)c(Cl)c2)cc1 ZINC000002022866 568928368 /nfs/dbraw/zinc/92/83/68/568928368.db2.gz VMHZPWQTARQKDE-UHFFFAOYSA-N 0 0 447.918 6.383 50 30 IKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc(O)cc1)CCCC2 ZINC000002027087 568928451 /nfs/dbraw/zinc/92/84/51/568928451.db2.gz ZDIVVSJUGNPQDO-UHFFFAOYSA-N 0 0 434.948 5.833 50 30 IKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)cc1 ZINC000027024035 568939243 /nfs/dbraw/zinc/93/92/43/568939243.db2.gz AEANKSPMVRBIJY-OAQYLSRUSA-N 0 0 447.512 5.016 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000002058708 568940976 /nfs/dbraw/zinc/94/09/76/568940976.db2.gz KJZCEIBBKCYJNY-ZDLGFXPLSA-N 0 0 436.385 5.960 50 30 IKEARN Cc1ccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1 ZINC000002067287 568941156 /nfs/dbraw/zinc/94/11/56/568941156.db2.gz YNZGDDLQVZDYAZ-GOSISDBHSA-N 0 0 442.799 5.345 50 30 IKEARN CCCN1c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2Sc2ccccc2C1=O ZINC000064980188 569078407 /nfs/dbraw/zinc/07/84/07/569078407.db2.gz GWJGLHGAIWLTHD-UHFFFAOYSA-N 0 0 438.512 5.797 50 30 IKEARN COc1ccc(/C=N/Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 ZINC000006924755 569110184 /nfs/dbraw/zinc/11/01/84/569110184.db2.gz BIRITQJQAYKAJL-DHRITJCHSA-N 0 0 427.485 5.524 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000036611973 569123567 /nfs/dbraw/zinc/12/35/67/569123567.db2.gz FHIHDASURXFVSB-QQBMZTOHSA-N 0 0 444.585 7.913 50 30 IKEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1 ZINC000238882225 569137583 /nfs/dbraw/zinc/13/75/83/569137583.db2.gz CUSNQPJPCUMNGJ-MIZPHKNDSA-N 0 0 434.490 5.345 50 30 IKEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1 ZINC000238882227 569137631 /nfs/dbraw/zinc/13/76/31/569137631.db2.gz CUSNQPJPCUMNGJ-MZKRTTBSSA-N 0 0 434.490 5.345 50 30 IKEARN C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 ZINC000010025375 569151568 /nfs/dbraw/zinc/15/15/68/569151568.db2.gz YYRXGPKQVQOKCL-UHFFFAOYSA-N 0 0 431.586 5.665 50 30 IKEARN Cc1cc(C(F)(F)F)c(C#N)c(SC(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000013578791 569156018 /nfs/dbraw/zinc/15/60/18/569156018.db2.gz ZZFPOKISAAIMIY-UHFFFAOYSA-N 0 0 438.431 5.007 50 30 IKEARN CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 ZINC000016729262 569160530 /nfs/dbraw/zinc/16/05/30/569160530.db2.gz PIVKPAZPWLJPCA-UHFFFAOYSA-N 0 0 432.442 6.469 50 30 IKEARN CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1 ZINC000016729037 569160542 /nfs/dbraw/zinc/16/05/42/569160542.db2.gz UGEZGKGHFXYRKP-UHFFFAOYSA-N 0 0 448.897 6.983 50 30 IKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)OCC)n2)cc1 ZINC000016729017 569160543 /nfs/dbraw/zinc/16/05/43/569160543.db2.gz DMRPJZVMZAPDDI-UHFFFAOYSA-N 0 0 438.471 5.473 50 30 IKEARN N#Cc1c(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002071607 569162057 /nfs/dbraw/zinc/16/20/57/569162057.db2.gz OJELFPXQWGAYBY-QGZVFWFLSA-N 0 0 428.772 5.037 50 30 IKEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(Br)cc1 ZINC000016890316 569165415 /nfs/dbraw/zinc/16/54/15/569165415.db2.gz XBRRWPXJQPVKAB-UHFFFAOYSA-N 0 0 426.339 5.119 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3c[nH]c4ccccc43)C12 ZINC000016956677 569167482 /nfs/dbraw/zinc/16/74/82/569167482.db2.gz CKVDPHQYKOMKDF-LHSJRXKWSA-N 0 0 449.436 5.194 50 30 IKEARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000017097326 569172850 /nfs/dbraw/zinc/17/28/50/569172850.db2.gz MCSNZOBIVIMKIB-LSDHHAIUSA-N 0 0 431.001 6.139 50 30 IKEARN COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1OC ZINC000001060679 569176631 /nfs/dbraw/zinc/17/66/31/569176631.db2.gz TWFIOUYTMFCUQM-DEOSSOPVSA-N 0 0 425.488 5.334 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccsc2)n1 ZINC000001079420 569176727 /nfs/dbraw/zinc/17/67/27/569176727.db2.gz MZPAAWHGHGFLMU-UZUQRXQVSA-N 0 0 445.544 5.045 50 30 IKEARN COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000504564160 569177135 /nfs/dbraw/zinc/17/71/35/569177135.db2.gz LHZZMHLXKOFUGQ-PZLURSOGSA-N 0 0 448.559 5.477 50 30 biogenic IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Br)sc2C1 ZINC000002085380 569177292 /nfs/dbraw/zinc/17/72/92/569177292.db2.gz KOSXHTIJZPIAFL-ZDUSSCGKSA-N 0 0 431.399 6.176 50 30 IKEARN N#Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCCCC2 ZINC000002088491 569177325 /nfs/dbraw/zinc/17/73/25/569177325.db2.gz LJZHNGISTSLZJE-UHFFFAOYSA-N 0 0 435.401 7.053 50 30 IKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002095584 569178647 /nfs/dbraw/zinc/17/86/47/569178647.db2.gz ZYOACJCWPUYMAG-UHFFFAOYSA-N 0 0 425.941 6.148 50 30 IKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1 ZINC000002096983 569179275 /nfs/dbraw/zinc/17/92/75/569179275.db2.gz KNBMYWVAPSSGIJ-UUYOSTAYSA-N 0 0 436.847 5.193 50 30 biogenic IKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1OC ZINC000002099362 569179533 /nfs/dbraw/zinc/17/95/33/569179533.db2.gz WGQLEMLRIHKREA-UUYOSTAYSA-N 0 0 436.847 5.193 50 30 biogenic IKEARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000027132384 569179570 /nfs/dbraw/zinc/17/95/70/569179570.db2.gz SQIMEHPZUAUYAC-UHFFFAOYSA-N 0 0 429.545 5.490 50 30 IKEARN CCOC(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)OCC)cc3)cc2)cc1 ZINC000001229113 569180439 /nfs/dbraw/zinc/18/04/39/569180439.db2.gz XXNPRFBDAFEAHG-XUIWWLCJSA-N 0 0 428.488 5.541 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1 ZINC000002359534 569180802 /nfs/dbraw/zinc/18/08/02/569180802.db2.gz UEPHFELYFHOVBE-UHFFFAOYSA-N 0 0 432.505 5.247 50 30 IKEARN CC1=CN2[C@H](c3ccccc31)C(C#N)(C#N)[C@@H](c1cccc(F)c1)[C@H]2C(=O)c1ccccc1 ZINC000252427245 569183277 /nfs/dbraw/zinc/18/32/77/569183277.db2.gz YKULJWZFIDEUIU-OHSXHVKISA-N 0 0 433.486 5.626 50 30 IKEARN O=C(Oc1ccc(C=Nc2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1 ZINC000252444348 569183844 /nfs/dbraw/zinc/18/38/44/569183844.db2.gz HNUJTVKVVMFJES-UHFFFAOYSA-N 0 0 435.819 5.715 50 30 IKEARN COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000002127513 569184169 /nfs/dbraw/zinc/18/41/69/569184169.db2.gz RTEUYVDLVWAUKU-VHQYDUIRSA-N 0 0 426.468 5.598 50 30 biogenic IKEARN Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000252452498 569184296 /nfs/dbraw/zinc/18/42/96/569184296.db2.gz LWIPQJSHOBYWHE-UHFFFAOYSA-N 0 0 445.482 5.186 50 30 IKEARN COc1cc(C=Nc2cccc3c(N=Cc4ccc(O)c(OC)c4)cccc23)ccc1O ZINC000252461291 569184510 /nfs/dbraw/zinc/18/45/10/569184510.db2.gz LVVWFLKLTXIKCR-UHFFFAOYSA-N 0 0 426.472 5.769 50 30 IKEARN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4cccc(C)c4)cc3)n2)cc1 ZINC000252461053 569184515 /nfs/dbraw/zinc/18/45/15/569184515.db2.gz KFEZUKLYFFFVLZ-UHFFFAOYSA-N 0 0 427.529 6.092 50 30 IKEARN CCN(CC)c1ccc(N=Cc2ccc(C=Nc3ccc(N(CC)CC)cc3)cc2)cc1 ZINC000252461177 569184575 /nfs/dbraw/zinc/18/45/75/569184575.db2.gz LCKWPSBPFIXAGK-UHFFFAOYSA-N 0 0 426.608 6.880 50 30 IKEARN COc1cc(OC)c(C=Nc2ccccc2C(=O)Nc2ccccc2)cc1Br ZINC000252463072 569184823 /nfs/dbraw/zinc/18/48/23/569184823.db2.gz YQQCBNKRCOUEET-UHFFFAOYSA-N 0 0 439.309 5.469 50 30 IKEARN COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 ZINC000002131666 569184887 /nfs/dbraw/zinc/18/48/87/569184887.db2.gz HXUSHXYODUVSHP-VHQYDUIRSA-N 0 0 426.468 5.598 50 30 biogenic IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 ZINC000002133406 569185099 /nfs/dbraw/zinc/18/50/99/569185099.db2.gz JFDAJWXBYOTKBR-OOHHOYHOSA-N 0 0 440.451 5.238 50 30 biogenic IKEARN CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 ZINC000002553258 569185839 /nfs/dbraw/zinc/18/58/39/569185839.db2.gz RZLQXWZBYWWYHG-NLRVBDNBSA-N 0 0 447.560 5.405 50 30 IKEARN N#Cc1cc(Br)c(OC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC000002154366 569187202 /nfs/dbraw/zinc/18/72/02/569187202.db2.gz BJBIMPQRMXMKGZ-UHFFFAOYSA-N 0 0 449.913 5.609 50 30 IKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C3=O)cc1 ZINC000002157041 569187546 /nfs/dbraw/zinc/18/75/46/569187546.db2.gz FPWWIQHWTKLTRM-FMCGGJTJSA-N 0 0 444.483 5.551 50 30 biogenic IKEARN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000002184908 569190495 /nfs/dbraw/zinc/19/04/95/569190495.db2.gz NIVJVGWEIQFBNK-HAHDFKILSA-N 0 0 430.529 5.474 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 ZINC000002193654 569190758 /nfs/dbraw/zinc/19/07/58/569190758.db2.gz ZABZCKZOXNRPKG-UHFFFAOYSA-N 0 0 439.599 6.572 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 ZINC000252590151 569191720 /nfs/dbraw/zinc/19/17/20/569191720.db2.gz APVAUAKEHDSZPH-NARSBJQYSA-N 0 0 442.584 6.370 50 30 IKEARN COc1cc(C=Nc2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252589201 569191726 /nfs/dbraw/zinc/19/17/26/569191726.db2.gz AILCSCVIQHGIHK-UHFFFAOYSA-N 0 0 443.415 6.208 50 30 IKEARN C=CCn1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000252590559 569191752 /nfs/dbraw/zinc/19/17/52/569191752.db2.gz ATHHIMMRTKFDOV-SBEYKLCGSA-N 0 0 435.552 6.636 50 30 IKEARN Cc1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1[N+](=O)[O-] ZINC000252592254 569192722 /nfs/dbraw/zinc/19/27/22/569192722.db2.gz BEEOUECHRQGAQE-UHFFFAOYSA-N 0 0 447.232 5.214 50 30 IKEARN O=C1N[C@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252593553 569192857 /nfs/dbraw/zinc/19/28/57/569192857.db2.gz BKVSGKFSOGKEMG-NRFANRHFSA-N 0 0 427.451 6.052 50 30 IKEARN CCOCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 ZINC000252594365 569192946 /nfs/dbraw/zinc/19/29/46/569192946.db2.gz BRYNBLNOQPNQEA-IZYVNPKQSA-N 0 0 436.508 5.726 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 ZINC000252595490 569193082 /nfs/dbraw/zinc/19/30/82/569193082.db2.gz CAUZIJFGNYRKKO-GOSISDBHSA-N 0 0 447.482 5.160 50 30 IKEARN COc1cc(Br)cc(C=Nc2ccc(-c3nc4ccccc4o3)cc2C)c1O ZINC000252594534 569193099 /nfs/dbraw/zinc/19/30/99/569193099.db2.gz BTERVLSHRYNREA-UHFFFAOYSA-N 0 0 437.293 6.031 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3cc(Br)ccc3O)C(=O)N2CC)cc1 ZINC000252596342 569193317 /nfs/dbraw/zinc/19/33/17/569193317.db2.gz CILVFJKZIRTHOJ-OUCYFQBSSA-N 0 0 447.354 5.177 50 30 IKEARN COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O ZINC000252596786 569193319 /nfs/dbraw/zinc/19/33/19/569193319.db2.gz CMKSGDKULPPFME-ARKVWGHASA-N 0 0 430.529 5.826 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3cc(Br)ccc3O)C(=O)N2CC)cc1 ZINC000252596340 569193332 /nfs/dbraw/zinc/19/33/32/569193332.db2.gz CILVFJKZIRTHOJ-FNLGWUMESA-N 0 0 447.354 5.177 50 30 IKEARN C[C@H](NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccccc1 ZINC000252597735 569193412 /nfs/dbraw/zinc/19/34/12/569193412.db2.gz CUNJYZJOJJYKJT-INIZCTEOSA-N 0 0 449.576 6.156 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252599761 569193508 /nfs/dbraw/zinc/19/35/08/569193508.db2.gz DLGWNTCNKOEYDP-OMSSWJLUSA-N 0 0 430.957 5.761 50 30 IKEARN CCOc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252599923 569193593 /nfs/dbraw/zinc/19/35/93/569193593.db2.gz DMVNZPBABRIATL-DNKROPNVSA-N 0 0 428.557 6.511 50 30 IKEARN CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)SC1=Nc1ccccc1 ZINC000252600892 569193594 /nfs/dbraw/zinc/19/35/94/569193594.db2.gz DVEURUIBUFCIJC-YOIRLTMBSA-N 0 0 425.513 5.371 50 30 IKEARN O=[N+]([O-])c1ccccc1/C=C/C=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000252601043 569193820 /nfs/dbraw/zinc/19/38/20/569193820.db2.gz DXECUDDQLCOJBO-MKMQZVESSA-N 0 0 438.270 7.126 50 30 IKEARN CCOC(=O)c1c(N=Cc2ccccc2O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000252601940 569193875 /nfs/dbraw/zinc/19/38/75/569193875.db2.gz FEHPCASFCOIWHD-UHFFFAOYSA-N 0 0 445.540 6.518 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC ZINC000252601413 569193893 /nfs/dbraw/zinc/19/38/93/569193893.db2.gz FAEGEQUQYWQHDI-GUGSDYAWSA-N 0 0 444.556 6.031 50 30 IKEARN Cc1cc(Br)c(O)c(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000252601965 569193976 /nfs/dbraw/zinc/19/39/76/569193976.db2.gz FERNYWQEPLXRLK-UHFFFAOYSA-N 0 0 441.712 6.675 50 30 IKEARN Cc1ccsc1/C=C1/SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000252602450 569194082 /nfs/dbraw/zinc/19/40/82/569194082.db2.gz FIJWMXCSVRBIGI-YZWRYSEFSA-N 0 0 432.614 7.099 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1CC ZINC000252603480 569194159 /nfs/dbraw/zinc/19/41/59/569194159.db2.gz FSAUDCMJXZUFGS-AIMMPNMZSA-N 0 0 430.548 6.759 50 30 IKEARN CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 ZINC000252604108 569194199 /nfs/dbraw/zinc/19/41/99/569194199.db2.gz FWOUWKBCWFJYME-UHFFFAOYSA-N 0 0 429.915 5.848 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)ON=C1CCc2cc(OC)ccc21 ZINC000252607344 569194751 /nfs/dbraw/zinc/19/47/51/569194751.db2.gz HAWPHJBFQGNYHZ-UHFFFAOYSA-N 0 0 443.672 8.150 50 30 IKEARN CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccncc4)nc3c2)c1O ZINC000252608349 569195225 /nfs/dbraw/zinc/19/52/25/569195225.db2.gz HJPORBLNAOFOCU-UHFFFAOYSA-N 0 0 438.281 5.507 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000252608174 569195280 /nfs/dbraw/zinc/19/52/80/569195280.db2.gz HHSWCDIMZGCQOS-ZRAGWZJNSA-N 0 0 431.561 6.113 50 30 IKEARN CCC/N=C1/SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)/C1=N\CCC ZINC000252611529 569197269 /nfs/dbraw/zinc/19/72/69/569197269.db2.gz IKJDNYYQMRVVCM-NHLMABGJSA-N 0 0 425.533 5.092 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 ZINC000252610859 569197316 /nfs/dbraw/zinc/19/73/16/569197316.db2.gz IEXXONXICYJMNB-CMEWOCMCSA-N 0 0 429.545 5.570 50 30 IKEARN N#Cc1cnc2c(N=Nc3ccccc3Cl)c(N)nn2c1-c1nc2ccccc2s1 ZINC000252610825 569197328 /nfs/dbraw/zinc/19/73/28/569197328.db2.gz IDTPYYWCUPVNEC-UHFFFAOYSA-N 0 0 430.884 5.529 50 30 IKEARN COCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)SC1=Nc1ccccc1 ZINC000252614947 569197529 /nfs/dbraw/zinc/19/75/29/569197529.db2.gz JNZDVOKXDPDMSP-BPNGKYSRSA-N 0 0 436.558 5.681 50 30 IKEARN CCCCN1c2ccccc2/C(=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)C1=O ZINC000252614440 569197554 /nfs/dbraw/zinc/19/75/54/569197554.db2.gz JJIBUHATVABDNO-NRUAZUNZSA-N 0 0 425.941 5.091 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(CC)cc2)SC1=Nc1cccc(Cl)c1C ZINC000252614608 569197592 /nfs/dbraw/zinc/19/75/92/569197592.db2.gz JKQDMARGBGWDEQ-HXUWFJFHSA-N 0 0 441.984 5.357 50 30 IKEARN COc1cccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000252616344 569197629 /nfs/dbraw/zinc/19/76/29/569197629.db2.gz JZTGGLKGODRTLO-FOQODDTFSA-N 0 0 442.584 6.737 50 30 IKEARN C(=Nc1ccc2c(c1)oc1ccccc12)c1ccc(Sc2nnnn2-c2ccccc2)o1 ZINC000252617464 569197851 /nfs/dbraw/zinc/19/78/51/569197851.db2.gz KTGFLPYFSHMHSY-UHFFFAOYSA-N 0 0 437.484 6.057 50 30 IKEARN Cc1cccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 ZINC000252618119 569197854 /nfs/dbraw/zinc/19/78/54/569197854.db2.gz LECXDHANEYQVFW-WPCCGSCNSA-N 0 0 428.513 5.841 50 30 IKEARN COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc32)SC1=Nc1ccccc1 ZINC000252619434 569198144 /nfs/dbraw/zinc/19/81/44/569198144.db2.gz LPEWYPMWXQNSGF-ZYITZIQLSA-N 0 0 448.544 5.107 50 30 IKEARN CC[C@@H](C)Oc1c(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC ZINC000252619143 569198159 /nfs/dbraw/zinc/19/81/59/569198159.db2.gz LNIFIALKAWDNAG-GSMYORFVSA-N 0 0 440.565 5.123 50 30 IKEARN CCN1c2ccc(N=Cc3ccc(-c4ccc(OC(C)=O)cc4)cc3)c3cccc(c23)C1=O ZINC000252618631 569198169 /nfs/dbraw/zinc/19/81/69/569198169.db2.gz LIZJKVFMKMYCER-UHFFFAOYSA-N 0 0 434.495 6.163 50 30 IKEARN COc1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC ZINC000252619647 569198579 /nfs/dbraw/zinc/19/85/79/569198579.db2.gz LRUUZPFPIVDIFJ-GCNWNYGFSA-N 0 0 444.556 6.129 50 30 IKEARN COc1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC ZINC000252619648 569198610 /nfs/dbraw/zinc/19/86/10/569198610.db2.gz LRUUZPFPIVDIFJ-GUGSDYAWSA-N 0 0 444.556 6.129 50 30 IKEARN CCCCCCOc1ccc(N=C(C)C(C)=Nc2ccc(OCCCCCC)cc2)cc1 ZINC000252620026 569199008 /nfs/dbraw/zinc/19/90/08/569199008.db2.gz LWEBAYLOXHIMSF-UHFFFAOYSA-N 0 0 436.640 8.490 50 30 IKEARN C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)nnc1C1CCCCC1 ZINC000007734406 569199319 /nfs/dbraw/zinc/19/93/19/569199319.db2.gz SSJKZCDEZIXVFN-HNNXBMFYSA-N 0 0 425.558 5.424 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c(OC)c1OC ZINC000002211072 569201235 /nfs/dbraw/zinc/20/12/35/569201235.db2.gz JKHVYEMGTXQCGK-UUYOSTAYSA-N 0 0 436.435 5.047 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@H]2c1ccccc1 ZINC000002211328 569201353 /nfs/dbraw/zinc/20/13/53/569201353.db2.gz RHPPHEKNEIPSSG-FQEVSTJZSA-N 0 0 440.478 5.098 50 30 IKEARN CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 ZINC000252620949 569201497 /nfs/dbraw/zinc/20/14/97/569201497.db2.gz MPSBIFDWHDQVCH-QGZVFWFLSA-N 0 0 435.471 5.076 50 30 IKEARN Cc1ccccc1N=C1S/C(=C2\c3ccccc3N(C)C2=O)C(=O)N1c1ccccc1C ZINC000252621217 569201626 /nfs/dbraw/zinc/20/16/26/569201626.db2.gz MVLAYSHQJMDJKV-OHHJCTMOSA-N 0 0 439.540 5.459 50 30 IKEARN CCOC(=O)c1cc(CC(C)C)sc1N=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252622194 569201867 /nfs/dbraw/zinc/20/18/67/569201867.db2.gz NQNZIIHCSWWMBK-UHFFFAOYSA-N 0 0 425.550 6.205 50 30 IKEARN Clc1ccc2nc(-c3ccco3)c(N=Cc3ccc(I)cc3)n2c1 ZINC000252622735 569201873 /nfs/dbraw/zinc/20/18/73/569201873.db2.gz OBOPCDCUKFZRLP-UHFFFAOYSA-N 0 0 447.663 5.603 50 30 IKEARN CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252622347 569201906 /nfs/dbraw/zinc/20/19/06/569201906.db2.gz NTITWBAYXKMOTE-NARSBJQYSA-N 0 0 442.584 6.526 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252622931 569202063 /nfs/dbraw/zinc/20/20/63/569202063.db2.gz OGDLPSCUKHXIFJ-OFGWUVNBSA-N 0 0 442.584 6.629 50 30 IKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 ZINC000252623617 569202118 /nfs/dbraw/zinc/20/21/18/569202118.db2.gz OVLXHURMZCFJIJ-UHFFFAOYSA-N 0 0 428.875 7.167 50 30 IKEARN O=c1c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2ncn1N=Cc1cccs1 ZINC000252623743 569202129 /nfs/dbraw/zinc/20/21/29/569202129.db2.gz OYGWISIQDFMKCR-UHFFFAOYSA-N 0 0 448.507 5.815 50 30 IKEARN Clc1ccc(-c2nc3cc(N=Cc4c5ccccc5cc5ccccc54)ccc3o2)cc1 ZINC000252623171 569202145 /nfs/dbraw/zinc/20/21/45/569202145.db2.gz OLNZXCWESWFHDO-UHFFFAOYSA-N 0 0 432.910 8.205 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O ZINC000252623208 569202154 /nfs/dbraw/zinc/20/21/54/569202154.db2.gz OMJIZRMQBBHMOY-ODKIPJEMSA-N 0 0 441.453 7.444 50 30 biogenic IKEARN CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccc1 ZINC000252623838 569202257 /nfs/dbraw/zinc/20/22/57/569202257.db2.gz PAJLDDXCQWORLE-MUJYFGONSA-N 0 0 434.948 6.153 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1CC ZINC000252623892 569202293 /nfs/dbraw/zinc/20/22/93/569202293.db2.gz PBRJFQKUOYRTIB-SIFMURAYSA-N 0 0 428.557 6.326 50 30 IKEARN Cc1ccc2nc(-c3ccc(C)c(N=Cc4c5ccccc5cc5ccccc54)c3)oc2c1 ZINC000252623991 569202628 /nfs/dbraw/zinc/20/26/28/569202628.db2.gz PDTYYXNUJLDUBR-UHFFFAOYSA-N 0 0 426.519 8.169 50 30 IKEARN Oc1ccc(N=C/C=C\c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 ZINC000252624825 569202852 /nfs/dbraw/zinc/20/28/52/569202852.db2.gz PVZCVHBQXAGIBJ-KAVOMJSMSA-N 0 0 435.346 6.847 50 30 IKEARN Cc1nn(-c2ccccn2)c2c1C(=Nc1ccc(C)cc1)C(=CNc1ccc(C)cc1)CC2 ZINC000252624763 569202875 /nfs/dbraw/zinc/20/28/75/569202875.db2.gz PUPPBZVRWXBMAI-MUJIUASLSA-N 0 0 433.559 6.256 50 30 IKEARN Cc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252625172 569203046 /nfs/dbraw/zinc/20/30/46/569203046.db2.gz QEPHNXKTLMAJFR-WPCCGSCNSA-N 0 0 428.513 5.841 50 30 IKEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2cccc(Br)c2)n1 ZINC000252625652 569203167 /nfs/dbraw/zinc/20/31/67/569203167.db2.gz QOKNTABTFKBFPR-UHFFFAOYSA-N 0 0 426.295 5.125 50 30 IKEARN Cc1ccc(N=C2C(=S)N(c3ccc(C)cc3)C(=N)N2N=Cc2ccc(Cl)cc2)cc1 ZINC000252625560 569203176 /nfs/dbraw/zinc/20/31/76/569203176.db2.gz QMQNOQWCKYAACP-UHFFFAOYSA-N 0 0 445.979 6.105 50 30 IKEARN C[C@@H]1CC/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000252625345 569203195 /nfs/dbraw/zinc/20/31/95/569203195.db2.gz QHSOFLQDNNTTDE-IHVJFXHHSA-N 0 0 430.460 6.081 50 30 IKEARN CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc12 ZINC000252626124 569203208 /nfs/dbraw/zinc/20/32/08/569203208.db2.gz QXBDYDYTACEPOV-SUOSWRNOSA-N 0 0 432.545 5.489 50 30 IKEARN CSC1=NC(=Nc2cccc(C)c2)C2(CCCC2)N1c1ccc(Br)cc1 ZINC000252625536 569203210 /nfs/dbraw/zinc/20/32/10/569203210.db2.gz QMFPWFXXGAFWBE-UHFFFAOYSA-N 0 0 428.399 6.340 50 30 IKEARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)SC1=Nc1ccc(OC)cc1 ZINC000252626824 569203388 /nfs/dbraw/zinc/20/33/88/569203388.db2.gz RGESGHJANGBKBU-ZRAGWZJNSA-N 0 0 449.551 5.866 50 30 IKEARN CCCCCOc1ccc(C=Nc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000252627359 569203532 /nfs/dbraw/zinc/20/35/32/569203532.db2.gz RSPISSRYNJRGCJ-UHFFFAOYSA-N 0 0 447.578 8.292 50 30 IKEARN CCOc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Cl)c4[O-])ccc3o2)cc1 ZINC000252627845 569203551 /nfs/dbraw/zinc/20/35/51/569203551.db2.gz SCPWHNVFIRWVJK-UHFFFAOYSA-N 0 0 427.287 6.657 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1c(C)cccc1C ZINC000252628937 569203725 /nfs/dbraw/zinc/20/37/25/569203725.db2.gz TVEUZCVLQJDPAK-NRFANRHFSA-N 0 0 435.593 5.573 50 30 IKEARN O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(-c3nc4c(ccc5ccccc45)o3)cc1)OCO2 ZINC000252628978 569203732 /nfs/dbraw/zinc/20/37/32/569203732.db2.gz TWAVKWDMAPYKRF-UHFFFAOYSA-N 0 0 437.411 6.036 50 30 IKEARN COc1cc(Br)c(Br)c(C=Nc2cccc3ccccc32)c1O ZINC000252628659 569203810 /nfs/dbraw/zinc/20/38/10/569203810.db2.gz SVEMOPDVUBKINV-UHFFFAOYSA-N 0 0 435.115 5.830 50 30 IKEARN Clc1ccc(/C=C\C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 ZINC000252629729 569203868 /nfs/dbraw/zinc/20/38/68/569203868.db2.gz UMMQOWRJBFAPFS-DIBCKIMCSA-N 0 0 427.718 7.871 50 30 IKEARN Cc1ccc(N=C2c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1C ZINC000252629416 569203939 /nfs/dbraw/zinc/20/39/39/569203939.db2.gz UFJYPVQGWGHXJA-UHFFFAOYSA-N 0 0 437.587 5.683 50 30 IKEARN O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252629614 569203961 /nfs/dbraw/zinc/20/39/61/569203961.db2.gz UKBNRNSJEYFUED-NLEVOZIKSA-N 0 0 425.340 6.802 50 30 IKEARN CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)SC1=Nc1ccccc1 ZINC000252630504 569203998 /nfs/dbraw/zinc/20/39/98/569203998.db2.gz VAZLWADNTQRQKV-AJNDAPIGSA-N 0 0 447.354 5.090 50 30 IKEARN Cc1cccc(C)c1N=C1S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1 ZINC000252630643 569204087 /nfs/dbraw/zinc/20/40/87/569204087.db2.gz VBXBPAYKTGQHJF-JKTGJUOXSA-N 0 0 426.585 7.235 50 30 IKEARN CSC1=NC(=Nc2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccc(C)cc1 ZINC000252630054 569204119 /nfs/dbraw/zinc/20/41/19/569204119.db2.gz UTLMYUDGMRNLBZ-UHFFFAOYSA-N 0 0 431.527 6.986 50 30 IKEARN Cc1cccc(C)c1N=C1S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1 ZINC000252630642 569204124 /nfs/dbraw/zinc/20/41/24/569204124.db2.gz VBXBPAYKTGQHJF-HRCCQFLKSA-N 0 0 426.585 7.235 50 30 IKEARN COc1ccc(N=CC2=C(c3cccs3)Oc3ccccc3[C@H]2c2ccccc2C)cc1 ZINC000252630928 569204424 /nfs/dbraw/zinc/20/44/24/569204424.db2.gz VFZJJXPBAFCJGD-HHHXNRCGSA-N 0 0 437.564 7.403 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1 ZINC000252631157 569204494 /nfs/dbraw/zinc/20/44/94/569204494.db2.gz VIWOCADVAOAYEJ-QQAFOXPBSA-N 0 0 426.538 5.117 50 30 IKEARN CCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1ccccc1 ZINC000252632476 569204924 /nfs/dbraw/zinc/20/49/24/569204924.db2.gz VUGMMPHYXGXGSI-QFIPXVFZSA-N 0 0 431.561 5.600 50 30 IKEARN CCCCCCCn1c2ccccc2nc1N=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252635545 569207938 /nfs/dbraw/zinc/20/79/38/569207938.db2.gz WYBWCFRPYLYGRB-UHFFFAOYSA-N 0 0 429.564 7.088 50 30 IKEARN CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 ZINC000252636279 569208036 /nfs/dbraw/zinc/20/80/36/569208036.db2.gz XGBYPXJUPDRINW-QMGOUDKXSA-N 0 0 432.387 5.211 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1 ZINC000252635897 569208070 /nfs/dbraw/zinc/20/80/70/569208070.db2.gz XBISUPUJBROKNQ-YNMBWQPYSA-N 0 0 446.956 5.380 50 30 IKEARN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=Nc1ccccc1 ZINC000252636879 569208079 /nfs/dbraw/zinc/20/80/79/569208079.db2.gz XMTUERJUKQHQAP-SIFMURAYSA-N 0 0 445.588 6.117 50 30 IKEARN CCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1cccc([N+](=O)[O-])c1 ZINC000252637279 569208201 /nfs/dbraw/zinc/20/82/01/569208201.db2.gz XRDVLDXPUDTUDX-RTPXDPCMSA-N 0 0 434.521 5.333 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O ZINC000002228326 569208268 /nfs/dbraw/zinc/20/82/68/569208268.db2.gz QGGSZYAFSHPLCU-UOKWBDCBSA-N 0 0 430.887 6.243 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3c(C)[nH]c4ccccc43)C(=O)N2C2CCCCC2)cc1 ZINC000252638326 569208323 /nfs/dbraw/zinc/20/83/23/569208323.db2.gz YBGYWIGKLVPOKY-VYYDMKJGSA-N 0 0 445.588 6.422 50 30 IKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O ZINC000252638277 569208350 /nfs/dbraw/zinc/20/83/50/569208350.db2.gz YASOULSQRVOPLY-VLTWACRQSA-N 0 0 430.957 5.704 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Cl)SC1=Nc1ccc(C)c(C)c1 ZINC000252640021 569208488 /nfs/dbraw/zinc/20/84/88/569208488.db2.gz YPOAQOCULHAICB-LJQANCHMSA-N 0 0 427.957 5.103 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)SC1=Nc1ccc(C)c(C)c1 ZINC000252640020 569208506 /nfs/dbraw/zinc/20/85/06/569208506.db2.gz YPOAQOCULHAICB-IBGZPJMESA-N 0 0 427.957 5.103 50 30 IKEARN COc1ccc(Br)c(C=Nc2cccc(NC(=O)c3ccccc3)c2)c1O ZINC000252640675 569208663 /nfs/dbraw/zinc/20/86/63/569208663.db2.gz YWIDBSWEKJUWMH-UHFFFAOYSA-N 0 0 425.282 5.166 50 30 IKEARN COc1ccc(N=C/C=C2/C=C(c3ccccc3)OC3(O2)C2CC4CC(C2)CC3C4)cc1 ZINC000252640272 569208700 /nfs/dbraw/zinc/20/87/00/569208700.db2.gz YSMDAGNFOXSLGJ-SAWQBKMQSA-N 0 0 427.544 6.522 50 30 IKEARN CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252641484 569209387 /nfs/dbraw/zinc/20/93/87/569209387.db2.gz ZDCKDNINEZLETI-UBWZAKNHSA-N 0 0 426.538 5.204 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1CC ZINC000252642361 569209445 /nfs/dbraw/zinc/20/94/45/569209445.db2.gz ZLIKNLUFMVQUGZ-AIMMPNMZSA-N 0 0 447.003 7.273 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2ccccc2Cl)C(=O)N1c1ccccc1CC ZINC000252642362 569209458 /nfs/dbraw/zinc/20/94/58/569209458.db2.gz ZLIKNLUFMVQUGZ-KISRHMMLSA-N 0 0 447.003 7.273 50 30 IKEARN O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252642744 569209460 /nfs/dbraw/zinc/20/94/60/569209460.db2.gz ZPDZJAANZQTWKI-OIBHPTRJSA-N 0 0 435.346 6.258 50 30 IKEARN Cn1c2ccccc2c2nnc(N=NCc3ccc(-c4cccc(C(F)(F)F)c4)o3)nc21 ZINC000252642971 569209471 /nfs/dbraw/zinc/20/94/71/569209471.db2.gz ZSECZMAIFWIEJE-UHFFFAOYSA-N 0 0 436.397 5.241 50 30 IKEARN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000252675029 569210249 /nfs/dbraw/zinc/21/02/49/569210249.db2.gz SROGWZWKRJBQEJ-UHFFFAOYSA-N 0 0 436.968 5.086 50 30 IKEARN Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 ZINC000252679782 569210682 /nfs/dbraw/zinc/21/06/82/569210682.db2.gz REQADNDMPFXOST-UHFFFAOYSA-N 0 0 442.320 5.987 50 30 IKEARN C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC ZINC000002889920 569211253 /nfs/dbraw/zinc/21/12/53/569211253.db2.gz XJUDQNQGUWDFFT-UHFFFAOYSA-N 0 0 441.936 5.601 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002234905 569211940 /nfs/dbraw/zinc/21/19/40/569211940.db2.gz RMFFMQCOQUSHTM-UHFFFAOYSA-N 0 0 443.526 5.702 50 30 IKEARN CCCCCCCSc1nc2ccc(I)cc2c(=O)n1CC ZINC000002235431 569212146 /nfs/dbraw/zinc/21/21/46/569212146.db2.gz ILUNQYFPNIJPAW-UHFFFAOYSA-N 0 0 430.355 5.084 50 30 IKEARN O=C(Nc1cccc(/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc32)c1)c1ccc(F)cc1 ZINC000001502286 569212370 /nfs/dbraw/zinc/21/23/70/569212370.db2.gz QFEZWFRCHPQZST-VULFUBBASA-N 0 0 429.407 5.596 50 30 IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O ZINC000002237320 569212523 /nfs/dbraw/zinc/21/25/23/569212523.db2.gz WIRILWPNQWSSRS-QQAHGDJHSA-N 0 0 441.439 5.497 50 30 IKEARN C#CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 ZINC000002239959 569212967 /nfs/dbraw/zinc/21/29/67/569212967.db2.gz AEGANYGNGZWYMP-IBGZPJMESA-N 0 0 434.605 5.134 50 30 biogenic IKEARN C#CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 ZINC000002239960 569212993 /nfs/dbraw/zinc/21/29/93/569212993.db2.gz AEGANYGNGZWYMP-LJQANCHMSA-N 0 0 434.605 5.134 50 30 biogenic IKEARN Cc1cc2nc(-c3ccc(/N=C/c4cc(C)c(C)c(Br)c4O)cc3)oc2cc1C ZINC000003087389 569213131 /nfs/dbraw/zinc/21/31/31/569213131.db2.gz MEAOYMHKDRWVOK-RPPGKUMJSA-N 0 0 449.348 6.947 50 30 IKEARN Fc1cccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(F)c(Cl)c5)o4)ccc3o2)c1 ZINC000003083322 569213156 /nfs/dbraw/zinc/21/31/56/569213156.db2.gz XJWIVFMKXNZUHG-XODNFHPESA-N 0 0 434.829 7.437 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000003202776 569213248 /nfs/dbraw/zinc/21/32/48/569213248.db2.gz VSMHVIQWDWYILH-FQEVSTJZSA-N 0 0 446.385 5.396 50 30 IKEARN Cc1ccc(/N=C/c2cc(Cc3ccc(O)c(/C=N/c4ccc(C)cc4)c3)ccc2O)cc1 ZINC000003168153 569213288 /nfs/dbraw/zinc/21/32/88/569213288.db2.gz FZTXWDRDBSAVQW-GFTXTJKWSA-N 0 0 434.539 6.807 50 30 IKEARN O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1cccc2ccccc21 ZINC000002245989 569214419 /nfs/dbraw/zinc/21/44/19/569214419.db2.gz KQZPTMMEYMZIIN-QHCPKHFHSA-N 0 0 445.316 6.679 50 30 IKEARN CCCCCCNC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002248052 569214771 /nfs/dbraw/zinc/21/47/71/569214771.db2.gz BLRZSJNFXKOPLZ-RWPZCVJISA-N 0 0 448.958 5.012 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000002261583 569215787 /nfs/dbraw/zinc/21/57/87/569215787.db2.gz OOFYOLZPPLKISU-XRDZRPQXSA-N 0 0 430.371 5.083 50 30 IKEARN COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000002267406 569216272 /nfs/dbraw/zinc/21/62/72/569216272.db2.gz CPPNJCAOVMBKSV-LYAXJZIPSA-N 0 0 437.564 7.403 50 30 IKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000002253686 569216607 /nfs/dbraw/zinc/21/66/07/569216607.db2.gz LQMBVFJCDKIJOG-NRFANRHFSA-N 0 0 444.512 5.181 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000013551463 569256813 /nfs/dbraw/zinc/25/68/13/569256813.db2.gz FNUUFYIDPPKJOL-ZCYQVOJMSA-N 0 0 445.450 5.541 50 30 IKEARN N#CCCN1C(=O)COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(F)cc4)n3)cc21 ZINC000019862869 569257043 /nfs/dbraw/zinc/25/70/43/569257043.db2.gz BOUOPPAKJVJOBB-UHFFFAOYSA-N 0 0 449.485 5.861 50 30 IKEARN COc1cccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 ZINC000019911193 569257144 /nfs/dbraw/zinc/25/71/44/569257144.db2.gz YULCIGZSUMIFEE-UHFFFAOYSA-N 0 0 434.464 5.684 50 30 IKEARN CC(C)N1c2ccccc2/C(=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)C1=O ZINC000015228136 569261633 /nfs/dbraw/zinc/26/16/33/569261633.db2.gz ZLXNDITXEAJULI-VLNLLYCGSA-N 0 0 445.588 5.749 50 30 IKEARN C=CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)SC3 ZINC000002280518 569262999 /nfs/dbraw/zinc/26/29/99/569262999.db2.gz LDVKCSGPHCANKW-UHFFFAOYSA-N 0 0 442.631 5.187 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)SC1=S ZINC000027527893 569263439 /nfs/dbraw/zinc/26/34/39/569263439.db2.gz KKLJDZZSEAAHFU-RGEXLXHISA-N 0 0 448.034 5.898 50 30 IKEARN Cc1ccc(C(=O)On2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1C ZINC000027527703 569263485 /nfs/dbraw/zinc/26/34/85/569263485.db2.gz BCSJGRUNWYCJBG-UHFFFAOYSA-N 0 0 426.516 5.247 50 30 IKEARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)c12 ZINC000253430794 569267751 /nfs/dbraw/zinc/26/77/51/569267751.db2.gz OCHKRGYPGJILDK-UHFFFAOYSA-N 0 0 425.492 5.005 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002291659 569268018 /nfs/dbraw/zinc/26/80/18/569268018.db2.gz VEILOHJORFMSSY-DEOSSOPVSA-N 0 0 432.907 6.711 50 30 IKEARN Cc1ccccc1[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2 ZINC000027547286 569271265 /nfs/dbraw/zinc/27/12/65/569271265.db2.gz JVRWCERNINRVAY-JOCHJYFZSA-N 0 0 440.465 5.620 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(Br)c1 ZINC000002306146 569271869 /nfs/dbraw/zinc/27/18/69/569271869.db2.gz DSQADTIMDSAVQD-DEOSSOPVSA-N 0 0 432.361 6.912 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@]43C)[C@H]1CCC2=O ZINC000253499196 569272824 /nfs/dbraw/zinc/27/28/24/569272824.db2.gz HESAJDXBMHQLJH-SIRXFEOPSA-N 0 0 445.434 7.293 50 30 biogenic IKEARN O=C(C=CNc1ccc(Oc2cccc(NC=CC(=O)C(F)(F)F)c2)cc1)C(F)(F)F ZINC000002313639 569273115 /nfs/dbraw/zinc/27/31/15/569273115.db2.gz BVCVSVJXLFKRJQ-GFULKKFKSA-N 0 0 444.331 5.593 50 30 IKEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000027570836 569273609 /nfs/dbraw/zinc/27/36/09/569273609.db2.gz HKZQCWWGDKSRHJ-HYARGMPZSA-N 0 0 447.918 6.094 50 30 IKEARN O=[N+]([O-])C(C=Nc1ccccc1Br)=CNc1ccccc1Br ZINC000002326574 569274471 /nfs/dbraw/zinc/27/44/71/569274471.db2.gz PSBJOUHXDMNKSU-KFPJKESOSA-N 0 0 425.080 5.144 50 30 IKEARN O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1Cc1cccc2ccccc21 ZINC000002337635 569274931 /nfs/dbraw/zinc/27/49/31/569274931.db2.gz HUBUMFQFTVPSRZ-BZCDASSZSA-N 0 0 438.350 5.068 50 30 IKEARN CCCCCCCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 ZINC000002344413 569275291 /nfs/dbraw/zinc/27/52/91/569275291.db2.gz ZEOXFRRKPYLVBR-UHFFFAOYSA-N 0 0 436.650 6.947 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H]3O[C@@H]3[C@@]21C ZINC000257346889 569279950 /nfs/dbraw/zinc/27/99/50/569279950.db2.gz CYPQELKXBYBDOE-XRQUGMBTSA-N 0 0 446.628 5.154 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 ZINC000257346687 569279971 /nfs/dbraw/zinc/27/99/71/569279971.db2.gz KNJVWAVLNHNHKV-CYLIMVRESA-N 0 0 430.654 6.502 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C ZINC000257347750 569280097 /nfs/dbraw/zinc/28/00/97/569280097.db2.gz SUISKBUAOOSHAW-NYHSDVFVSA-N 0 0 444.612 5.265 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3 ZINC000257349209 569280344 /nfs/dbraw/zinc/28/03/44/569280344.db2.gz MNPFRDKDRKYDAA-SOTKZAEUSA-N 0 0 442.684 7.283 50 30 IKEARN CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]4[C@@]3(C)C[C@H]1O2 ZINC000257350330 569280700 /nfs/dbraw/zinc/28/07/00/569280700.db2.gz WJIXKJVODIQPNM-YEHDBOJLSA-N 0 0 444.700 7.376 50 30 IKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@H](O)C[C@@H]1O ZINC000257355246 569280732 /nfs/dbraw/zinc/28/07/32/569280732.db2.gz ZGLHBRQAEXKACO-LLKVAECLSA-N 0 0 428.657 5.727 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000257358572 569280921 /nfs/dbraw/zinc/28/09/21/569280921.db2.gz VEEBKUQFPONGGR-ZELSYXRPSA-N 0 0 444.700 7.171 50 30 IKEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257358210 569280931 /nfs/dbraw/zinc/28/09/31/569280931.db2.gz SDPXLBMMNBJQCT-ZGXSVSPRSA-N 0 0 449.635 5.201 50 30 IKEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257358207 569280967 /nfs/dbraw/zinc/28/09/67/569280967.db2.gz SDPXLBMMNBJQCT-CQIJPNESSA-N 0 0 449.635 5.201 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000002350760 569282681 /nfs/dbraw/zinc/28/26/81/569282681.db2.gz KYSONHVOUNEZAM-UHFFFAOYSA-N 0 0 442.650 6.361 50 30 IKEARN CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000002352181 569282783 /nfs/dbraw/zinc/28/27/83/569282783.db2.gz HUHMPQIMRFPRLA-VDFJPTLYSA-N 0 0 447.560 5.101 50 30 IKEARN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500124 569283440 /nfs/dbraw/zinc/28/34/40/569283440.db2.gz XDVHIXRJLWUKRR-ZPQAWTAASA-N 0 0 440.624 6.136 50 30 biogenic IKEARN C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000253531729 569283903 /nfs/dbraw/zinc/28/39/03/569283903.db2.gz BZDQWOZFIUXHLF-SFCIDSGNSA-N 0 0 434.576 5.578 50 30 IKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(Cl)c1 ZINC000000638216 569284862 /nfs/dbraw/zinc/28/48/62/569284862.db2.gz JNPIWIRCANBDMN-UHFFFAOYSA-N 0 0 432.911 5.560 50 30 IKEARN CSc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000644450 569284968 /nfs/dbraw/zinc/28/49/68/569284968.db2.gz GRFHUXOYPACACR-UHFFFAOYSA-N 0 0 448.939 5.259 50 30 IKEARN CCc1c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2 ZINC000000630262 569284969 /nfs/dbraw/zinc/28/49/69/569284969.db2.gz HDHYRWMNZXYKEI-UHFFFAOYSA-N 0 0 427.957 5.055 50 30 IKEARN C=CCNC(=S)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(Cl)cc1)n3CCCC2 ZINC000002359511 569286084 /nfs/dbraw/zinc/28/60/84/569286084.db2.gz CVJWZJAHLNIRNW-UHFFFAOYSA-N 0 0 446.019 6.516 50 30 IKEARN C=C(C)CSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4 ZINC000002361054 569286858 /nfs/dbraw/zinc/28/68/58/569286858.db2.gz XLUXNILKVIAAIB-HXUWFJFHSA-N 0 0 434.656 5.751 50 30 IKEARN CCCCCCCCCn1cc(OC(=O)CC)c2c3nc4ccccc4n3c(CC)nc21 ZINC000002363944 569287740 /nfs/dbraw/zinc/28/77/40/569287740.db2.gz VSNFTFMUCWXJTD-UHFFFAOYSA-N 0 0 434.584 6.466 50 30 IKEARN CCc1c(O)c(C(C)=NOCc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000252614688 569288441 /nfs/dbraw/zinc/28/84/41/569288441.db2.gz JLVBJKQPWCETHB-UHFFFAOYSA-N 0 0 438.527 5.713 50 30 IKEARN C#CCOc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc32)cc1 ZINC000002367229 569288582 /nfs/dbraw/zinc/28/85/82/569288582.db2.gz ALFGGTJTDMENEK-UHFFFAOYSA-N 0 0 430.305 5.815 50 30 IKEARN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008426178 569289617 /nfs/dbraw/zinc/28/96/17/569289617.db2.gz LYLRVDUFFCAVSI-UHFFFAOYSA-N 0 0 449.579 6.635 50 30 IKEARN Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N ZINC000008430486 569289643 /nfs/dbraw/zinc/28/96/43/569289643.db2.gz NAMLXOBGISPGOC-JHMRYYBSSA-N 0 0 437.531 5.094 50 30 IKEARN N#Cc1ccc(C(=O)Sc2ccc(Cl)c(SC(=O)c3ccc(C#N)cc3)c2)cc1 ZINC000008430992 569289668 /nfs/dbraw/zinc/28/96/68/569289668.db2.gz MLPFWDJLWLOINJ-UHFFFAOYSA-N 0 0 434.929 5.948 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)OC(C)(C)C)c2C#N)cc1 ZINC000008425517 569289675 /nfs/dbraw/zinc/28/96/75/569289675.db2.gz XINMZXADDJUPCE-UHFFFAOYSA-N 0 0 432.545 5.730 50 30 IKEARN CCCCCCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 ZINC000002378276 569289718 /nfs/dbraw/zinc/28/97/18/569289718.db2.gz OZWOGNRBGJQJRQ-UHFFFAOYSA-N 0 0 430.552 5.884 50 30 IKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 ZINC000008433422 569289728 /nfs/dbraw/zinc/28/97/28/569289728.db2.gz OSSJDOZXZQMOCW-UHFFFAOYSA-N 0 0 446.469 6.859 50 30 IKEARN COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000008448639 569289748 /nfs/dbraw/zinc/28/97/48/569289748.db2.gz LFAUMQUEKOQCRD-GOSISDBHSA-N 0 0 448.657 7.134 50 30 IKEARN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008439958 569289777 /nfs/dbraw/zinc/28/97/77/569289777.db2.gz GBKBSPCWGWMCGB-UHFFFAOYSA-N 0 0 435.552 6.327 50 30 IKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000008441159 569289790 /nfs/dbraw/zinc/28/97/90/569289790.db2.gz KAFAGOXLYIAZLR-UHFFFAOYSA-N 0 0 438.552 6.597 50 30 IKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccc(Br)cc1 ZINC000008448472 569289803 /nfs/dbraw/zinc/28/98/03/569289803.db2.gz SWCCYSJRCOPABZ-UHFFFAOYSA-N 0 0 439.422 6.476 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCCOc3ccccc3)c2C#N)cc1 ZINC000008448602 569289811 /nfs/dbraw/zinc/28/98/11/569289811.db2.gz FZKNCDQLVMDRFT-UHFFFAOYSA-N 0 0 438.552 6.467 50 30 IKEARN Cc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000008446055 569289819 /nfs/dbraw/zinc/28/98/19/569289819.db2.gz XYMWGYIKAXTKTQ-UHFFFAOYSA-N 0 0 434.564 6.879 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCCCC3CCCCC3)c2C#N)cc1 ZINC000008445795 569289829 /nfs/dbraw/zinc/28/98/29/569289829.db2.gz STDXJYRKTZVCRH-UHFFFAOYSA-N 0 0 442.628 7.748 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@H]1COc2ccccc2O1 ZINC000008443628 569289831 /nfs/dbraw/zinc/28/98/31/569289831.db2.gz PEYVOJFCBCGDDW-NRFANRHFSA-N 0 0 436.536 6.219 50 30 IKEARN Cc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000008448429 569289832 /nfs/dbraw/zinc/28/98/32/569289832.db2.gz DUEWLYJHYHWKQM-UHFFFAOYSA-N 0 0 438.527 6.710 50 30 IKEARN N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1ccc(Cl)nc1 ZINC000008451269 569289899 /nfs/dbraw/zinc/28/98/99/569289899.db2.gz AGINIYKHVBWLEV-UHFFFAOYSA-N 0 0 425.991 6.751 50 30 IKEARN N#Cc1c(SCCCOc2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000008451238 569289914 /nfs/dbraw/zinc/28/99/14/569289914.db2.gz ASLFHBQSIIUGEU-UHFFFAOYSA-N 0 0 446.572 7.049 50 30 IKEARN CC(C)OC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000008451232 569289983 /nfs/dbraw/zinc/28/99/83/569289983.db2.gz WUJHVZHEEBZVDZ-UHFFFAOYSA-N 0 0 442.587 5.413 50 30 IKEARN COc1ccc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CSCC3)cc1 ZINC000008706674 569290082 /nfs/dbraw/zinc/29/00/82/569290082.db2.gz UCDVGQLNNFSUDV-UHFFFAOYSA-N 0 0 447.585 5.149 50 30 IKEARN FC(F)(F)c1cnc(N=NCc2ccc(OCc3nnsc3Cl)cc2)c(Cl)c1 ZINC000008887931 569291963 /nfs/dbraw/zinc/29/19/63/569291963.db2.gz QTMXIHCTCMECSH-TXNBCWFRSA-N 0 0 448.257 5.284 50 30 IKEARN CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2sc3c(c2C#N)CCCC3)cc1 ZINC000008904582 569292220 /nfs/dbraw/zinc/29/22/20/569292220.db2.gz TUUKZWMSZSLIRJ-UHFFFAOYSA-N 0 0 442.584 6.111 50 30 IKEARN Clc1ccc(SC/C(=N\OCc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000008925774 569292438 /nfs/dbraw/zinc/29/24/38/569292438.db2.gz YGZZVBHGUYNGIP-NJNXFGOHSA-N 0 0 436.791 7.360 50 30 IKEARN N#Cc1c(SCC(=O)NCc2ccccc2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000008991541 569292690 /nfs/dbraw/zinc/29/26/90/569292690.db2.gz GIZLWNSHYMYEQE-UHFFFAOYSA-N 0 0 427.451 5.048 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc(Br)cc1 ZINC000008990109 569292697 /nfs/dbraw/zinc/29/26/97/569292697.db2.gz JHSFTFBMLKCFND-UHFFFAOYSA-N 0 0 449.295 6.694 50 30 IKEARN N#Cc1cc(Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)c([N+](=O)[O-])cc1C#N ZINC000009010049 569292798 /nfs/dbraw/zinc/29/27/98/569292798.db2.gz VQXMHJWPTRFCAS-UHFFFAOYSA-N 0 0 446.492 5.210 50 30 IKEARN CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3ccccc3C)n2c1C ZINC000065318779 569294402 /nfs/dbraw/zinc/29/44/02/569294402.db2.gz PNGNGHZRABVWGO-UHFFFAOYSA-N 0 0 430.533 5.340 50 30 IKEARN CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3ccccc3)N3CCOCC3)o2)CC1 ZINC000027750349 569296509 /nfs/dbraw/zinc/29/65/09/569296509.db2.gz OKJUKSHRPFHBCQ-LLAFXHEGSA-N 0 0 436.600 5.496 50 30 IKEARN N#Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000009489946 569296801 /nfs/dbraw/zinc/29/68/01/569296801.db2.gz FUJWULVYCABEQW-AEFFLSMTSA-N 0 0 445.832 5.321 50 30 IKEARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1 ZINC000009526160 569297171 /nfs/dbraw/zinc/29/71/71/569297171.db2.gz TZQHIAKUWMGMEL-SFHVURJKSA-N 0 0 440.528 5.254 50 30 IKEARN N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 ZINC000002392366 569297322 /nfs/dbraw/zinc/29/73/22/569297322.db2.gz ORPRKJZLXYKBAQ-UHFFFAOYSA-N 0 0 433.558 5.142 50 30 IKEARN COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1 ZINC000009597844 569297488 /nfs/dbraw/zinc/29/74/88/569297488.db2.gz UBSUMNIDYLNHGT-CQSZACIVSA-N 0 0 435.549 5.687 50 30 IKEARN CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3cccs3)N3CCOCC3)o2)CC1 ZINC000027794211 569299383 /nfs/dbraw/zinc/29/93/83/569299383.db2.gz LCHRUEYCJUTOMK-GZNCHQMQSA-N 0 0 442.629 5.557 50 30 IKEARN CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(OC)c(OC)c2)c1C#N ZINC000002405358 569299447 /nfs/dbraw/zinc/29/94/47/569299447.db2.gz LRPZWPBYUMDZSK-UHFFFAOYSA-N 0 0 447.560 5.619 50 30 IKEARN C=C(C)CSc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002402221 569299599 /nfs/dbraw/zinc/29/95/99/569299599.db2.gz ZSCOLDJXCYMLOG-UHFFFAOYSA-N 0 0 445.679 6.604 50 30 IKEARN COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1OC ZINC000002402787 569299768 /nfs/dbraw/zinc/29/97/68/569299768.db2.gz TWUOKPVJUXEASD-MTJSOVHGSA-N 0 0 436.847 5.193 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc21 ZINC000002403370 569299917 /nfs/dbraw/zinc/29/99/17/569299917.db2.gz OLGBFAJCTIBPCZ-UHFFFAOYSA-N 0 0 446.551 5.351 50 30 IKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 ZINC000002406215 569300104 /nfs/dbraw/zinc/30/01/04/569300104.db2.gz ZSDMNPPEFCYRFQ-ODLFYWEKSA-N 0 0 425.234 5.186 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C3C(=O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1 ZINC000002420664 569301970 /nfs/dbraw/zinc/30/19/70/569301970.db2.gz PKOYRACQFYEDOR-RUZDIDTESA-N 0 0 429.541 5.532 50 30 IKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O ZINC000002421793 569302145 /nfs/dbraw/zinc/30/21/45/569302145.db2.gz PNDLWUGRRALAMR-AUWJEWJLSA-N 0 0 438.373 5.947 50 30 IKEARN COc1ccccc1/C=C1\Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O ZINC000002426600 569302530 /nfs/dbraw/zinc/30/25/30/569302530.db2.gz OQVRYBNZGNDUOL-JJFYIABZSA-N 0 0 427.283 6.197 50 30 IKEARN COc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)/C=C/c2cccs2)cc1 ZINC000011867661 569303073 /nfs/dbraw/zinc/30/30/73/569303073.db2.gz BQEBJAIPMNWHPI-MDZDMXLPSA-N 0 0 443.318 5.635 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1OC ZINC000002433603 569303361 /nfs/dbraw/zinc/30/33/61/569303361.db2.gz FAELAHSSGMVGPG-RMORIDSASA-N 0 0 440.854 5.692 50 30 IKEARN CCCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002434444 569303675 /nfs/dbraw/zinc/30/36/75/569303675.db2.gz WZNYKKJPFJPREB-UHFFFAOYSA-N 0 0 436.581 5.278 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(Cl)cc1 ZINC000002443655 569304296 /nfs/dbraw/zinc/30/42/96/569304296.db2.gz XMSWYDAMNRPPRN-UHFFFAOYSA-N 0 0 426.973 5.386 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002444632 569304381 /nfs/dbraw/zinc/30/43/81/569304381.db2.gz BZTDJGSCAOITQX-UHFFFAOYSA-N 0 0 442.535 5.438 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1C(=O)CCCC1=N2 ZINC000020092742 569305026 /nfs/dbraw/zinc/30/50/26/569305026.db2.gz ANEUSOATTOFUFB-SFHVURJKSA-N 0 0 447.402 5.345 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000012894878 569305118 /nfs/dbraw/zinc/30/51/18/569305118.db2.gz UOCUEIOMIAYZNI-OYQMSHHXSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN Cc1nn(-c2ccccc2)c(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C#N ZINC000013028251 569307260 /nfs/dbraw/zinc/30/72/60/569307260.db2.gz RRJFYSHRZWEPJC-UHFFFAOYSA-N 0 0 431.348 5.231 50 30 IKEARN COc1ccc2c(c1)nc(SCC(=O)Nc1ccccc1C#N)cc2-c1ccccc1 ZINC000013018088 569307271 /nfs/dbraw/zinc/30/72/71/569307271.db2.gz QAYGBIRUOMTDFA-UHFFFAOYSA-N 0 0 425.513 5.513 50 30 IKEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1sc2cccc(F)c2c1C ZINC000013096933 569309615 /nfs/dbraw/zinc/30/96/15/569309615.db2.gz VRJGQYMTBYYMBQ-UHFFFAOYSA-N 0 0 434.286 5.601 50 30 IKEARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000013098479 569309729 /nfs/dbraw/zinc/30/97/29/569309729.db2.gz NAOXQFIYZFXWSS-UHFFFAOYSA-N 0 0 427.356 6.288 50 30 IKEARN CCc1cc(SCc2cc(=O)oc3cc(O)ccc23)n2c3ccccc3nc2c1C#N ZINC000013113036 569310463 /nfs/dbraw/zinc/31/04/63/569310463.db2.gz KGQLOJBVNUMUSM-UHFFFAOYSA-N 0 0 427.485 5.026 50 30 IKEARN Cc1cc(SCC(=O)Nc2cc(Cl)ccc2Cl)n2c3ccccc3nc2c1C#N ZINC000013146407 569311529 /nfs/dbraw/zinc/31/15/29/569311529.db2.gz WMCLWVHAVPKWDF-UHFFFAOYSA-N 0 0 441.343 5.705 50 30 IKEARN CCCCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC ZINC000070665998 569315189 /nfs/dbraw/zinc/31/51/89/569315189.db2.gz OUVBUIRXQDERDF-FTJBHMTQSA-N 0 0 447.660 6.643 50 30 biogenic IKEARN Cc1ccc([C@H](NC(=O)c2cc(F)ccc2I)c2ccccn2)cc1 ZINC000328589867 569316802 /nfs/dbraw/zinc/31/68/02/569316802.db2.gz LVHIDSGPROTLLZ-IBGZPJMESA-N 0 0 446.263 5.228 50 30 IKEARN Cc1ccc([C@@H](NC(=O)c2cc(F)ccc2I)c2ccccn2)cc1 ZINC000328589870 569316809 /nfs/dbraw/zinc/31/68/09/569316809.db2.gz LVHIDSGPROTLLZ-LJQANCHMSA-N 0 0 446.263 5.228 50 30 IKEARN CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000328591442 569316983 /nfs/dbraw/zinc/31/69/83/569316983.db2.gz XABQLSDYWKZMKC-OAQYLSRUSA-N 0 0 445.585 5.573 50 30 IKEARN O=C(NCc1ccccc1)[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000328592391 569317190 /nfs/dbraw/zinc/31/71/90/569317190.db2.gz WOUXDZDALHCPGG-HHHXNRCGSA-N 0 0 435.523 6.260 50 30 IKEARN O=C(NCc1ccccc1)[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000328592392 569317198 /nfs/dbraw/zinc/31/71/98/569317198.db2.gz WOUXDZDALHCPGG-MHZLTWQESA-N 0 0 435.523 6.260 50 30 IKEARN CC(C)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000328592471 569317201 /nfs/dbraw/zinc/31/72/01/569317201.db2.gz SOXFWCHWFGPACR-GOTSBHOMSA-N 0 0 430.504 5.589 50 30 IKEARN CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc(O)cc3)c2C#N)cc1 ZINC000019337679 569318485 /nfs/dbraw/zinc/31/84/85/569318485.db2.gz RELFNOLRKRNDGX-UHFFFAOYSA-N 0 0 442.544 5.097 50 30 IKEARN COc1ccc(OCCCOc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1 ZINC000013940179 569321744 /nfs/dbraw/zinc/32/17/44/569321744.db2.gz GQTSLHSBHNHSMB-KOEQRZSOSA-N 0 0 433.533 5.599 50 30 IKEARN C=CCn1c(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)nnc1-c1ccco1 ZINC000079024316 569322724 /nfs/dbraw/zinc/32/27/24/569322724.db2.gz OEMJGDSLVVRWDI-HXUWFJFHSA-N 0 0 441.516 5.656 50 30 IKEARN N#Cc1c(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1-c1cccs1 ZINC000019597308 569322967 /nfs/dbraw/zinc/32/29/67/569322967.db2.gz QQLAWLMCPNOYGU-UHFFFAOYSA-N 0 0 434.590 5.013 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)sc2C1 ZINC000019816301 569329778 /nfs/dbraw/zinc/32/97/78/569329778.db2.gz JEIZBYACTGUTQR-CYBMUJFWSA-N 0 0 440.956 5.409 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)sc2C1 ZINC000019816304 569329785 /nfs/dbraw/zinc/32/97/85/569329785.db2.gz JEIZBYACTGUTQR-ZDUSSCGKSA-N 0 0 440.956 5.409 50 30 IKEARN CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)cc1 ZINC000019811495 569329798 /nfs/dbraw/zinc/32/97/98/569329798.db2.gz XMANQHLDNMTYTI-UHFFFAOYSA-N 0 0 446.963 6.150 50 30 IKEARN CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820514 569330033 /nfs/dbraw/zinc/33/00/33/569330033.db2.gz BFYGBZGDFJWLDQ-UHFFFAOYSA-N 0 0 431.746 5.897 50 30 IKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1CSc1ccc(Cl)cc1 ZINC000019841791 569330252 /nfs/dbraw/zinc/33/02/52/569330252.db2.gz ZLCUXMIHXDCJTB-UHFFFAOYSA-N 0 0 426.010 6.397 50 30 IKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl ZINC000019841577 569330255 /nfs/dbraw/zinc/33/02/55/569330255.db2.gz NDUWYESQGCICCE-UHFFFAOYSA-N 0 0 427.932 5.823 50 30 IKEARN CCOC(=O)c1c2nc(N)c(C#N)c(-c3ccccc3)c2sc1Nc1ccc(F)cc1 ZINC000019891555 569331640 /nfs/dbraw/zinc/33/16/40/569331640.db2.gz VLGFMBTZEDKCCM-UHFFFAOYSA-N 0 0 432.480 5.477 50 30 IKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccccc1Cl ZINC000019900779 569331783 /nfs/dbraw/zinc/33/17/83/569331783.db2.gz YHADIUJZQJFSPK-UHFFFAOYSA-N 0 0 433.939 5.712 50 30 IKEARN CC(C)c1ccc(-c2c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc(N)c2C#N)cc1 ZINC000020057987 569332910 /nfs/dbraw/zinc/33/29/10/569332910.db2.gz JRFXGFZAQYPTGD-UHFFFAOYSA-N 0 0 446.963 6.007 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000020071672 569333694 /nfs/dbraw/zinc/33/36/94/569333694.db2.gz ORDAQYJPJNSNSJ-NXCFDTQHSA-N 0 0 433.486 5.418 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000020072385 569333731 /nfs/dbraw/zinc/33/37/31/569333731.db2.gz BYXZAQQCRJRABN-NXCFDTQHSA-N 0 0 449.941 5.933 50 30 IKEARN CCOc1ccccc1/C=C1\CC(c2ccccc2)C/C(=C\c2ccccc2OCC)C1=O ZINC000020115628 569335009 /nfs/dbraw/zinc/33/50/09/569335009.db2.gz PUXRTJPMINDFRP-BFNWXZRRSA-N 0 0 438.567 7.098 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000020120568 569335291 /nfs/dbraw/zinc/33/52/91/569335291.db2.gz CRBBYRIUVXOXPE-UHFFFAOYSA-N 0 0 438.508 5.673 50 30 IKEARN Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CCCC2=N3)c1 ZINC000020134248 569335519 /nfs/dbraw/zinc/33/55/19/569335519.db2.gz LSMFTTWUPJQQSG-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000020135531 569335662 /nfs/dbraw/zinc/33/56/62/569335662.db2.gz XFVXPCDOBHLLPI-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000020134773 569335673 /nfs/dbraw/zinc/33/56/73/569335673.db2.gz NCDROPGVNDBYAO-FQEVSTJZSA-N 0 0 428.492 5.494 50 30 IKEARN CC(C)[C@H]1c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000020134459 569335727 /nfs/dbraw/zinc/33/57/27/569335727.db2.gz CVHNDELSLUPQBT-QGZVFWFLSA-N 0 0 444.000 5.524 50 30 IKEARN C=CCSC1=N/C(=C/c2cccc(OC)c2OC)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152039 569336532 /nfs/dbraw/zinc/33/65/32/569336532.db2.gz JDJOKWBWHMQNRM-GZTJUZNOSA-N 0 0 432.904 5.159 50 30 IKEARN C=CCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(OCC)cc1 ZINC000020152074 569336618 /nfs/dbraw/zinc/33/66/18/569336618.db2.gz SFMWRCRSXGDCQE-HKWRFOASSA-N 0 0 438.549 5.156 50 30 IKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCCC1 ZINC000020218940 569356825 /nfs/dbraw/zinc/35/68/25/569356825.db2.gz RCZUPGVNUAZFPH-UHFFFAOYSA-N 0 0 428.750 6.848 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000020327938 569360607 /nfs/dbraw/zinc/36/06/07/569360607.db2.gz MKRBBJFMQOFVSE-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1cccc(CSc2nc3n(n2)[C@H](c2cccc(Cl)c2)C2C(=O)CCCC2=N3)c1 ZINC000020327943 569360625 /nfs/dbraw/zinc/36/06/25/569360625.db2.gz UJHJNLNRYDKBJY-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccc(-c2cn(/N=C/c3ccccc3)c(NC(=O)Nc3ccc(F)cc3F)n2)s1 ZINC000020616430 569374696 /nfs/dbraw/zinc/37/46/96/569374696.db2.gz DPNPXODNEOCKBP-BRJLIKDPSA-N 0 0 437.475 5.724 50 30 IKEARN COc1cc(-c2cc(-c3cc4ccccc4o3)c(C#N)c(N)c2C#N)cc(OC)c1OC ZINC000096191665 569386220 /nfs/dbraw/zinc/38/62/20/569386220.db2.gz CSFFHNYIGGEJAY-UHFFFAOYSA-N 0 0 425.444 5.118 50 30 IKEARN C=CCn1c(SCc2cccc(C(=O)Nc3ccc(F)cc3)c2)nnc1-c1ccco1 ZINC000096288207 569390449 /nfs/dbraw/zinc/39/04/49/569390449.db2.gz UVITWGXWYUEMLB-UHFFFAOYSA-N 0 0 434.496 5.408 50 30 IKEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000096346568 569397140 /nfs/dbraw/zinc/39/71/40/569397140.db2.gz MVJQJXABALXQCO-RBUKOAKNSA-N 0 0 426.545 5.811 50 30 IKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NC(C)(C)C)n2)cc1 ZINC000096562511 569401150 /nfs/dbraw/zinc/40/11/50/569401150.db2.gz VFZLOWJYTBALCO-UHFFFAOYSA-N 0 0 437.590 5.364 50 30 IKEARN CC(C)=NOC(=S)N(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096564736 569401323 /nfs/dbraw/zinc/40/13/23/569401323.db2.gz XNBOBJIWVMTYPN-UHFFFAOYSA-N 0 0 440.461 6.456 50 30 IKEARN CC(=O)O[C@@]1(c2ccoc2)C(=O)C(C2(c3ccccc3)SCCCS2)=C1OC(C)C ZINC000096564375 569401326 /nfs/dbraw/zinc/40/13/26/569401326.db2.gz UEADJTXCKASNNA-QFIPXVFZSA-N 0 0 444.574 5.023 50 30 IKEARN N#Cc1c(CSC(=O)c2ccc(F)cc2)nc(-c2ccc(F)cc2)cc1-c1ccccc1 ZINC000096592228 569401855 /nfs/dbraw/zinc/40/18/55/569401855.db2.gz IYBFIRAWOIZEMK-UHFFFAOYSA-N 0 0 442.490 6.639 50 30 IKEARN N#Cc1c(Br)cc(-c2ccccc2)nc1SCc1ccccc1[N+](=O)[O-] ZINC000096592360 569401874 /nfs/dbraw/zinc/40/18/74/569401874.db2.gz KHCIKZYPCYHUTE-UHFFFAOYSA-N 0 0 426.295 5.583 50 30 IKEARN CC1(C)CCCN(c2nc(C#N)c(N3CCCCC3)c3c2CN(Cc2ccccc2)CC3)C1 ZINC000096592229 569401925 /nfs/dbraw/zinc/40/19/25/569401925.db2.gz DVFNPTAGTUPQRD-UHFFFAOYSA-N 0 0 443.639 5.128 50 30 IKEARN Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@@H]3C2(C#N)C#N)c(C)c1 ZINC000096593867 569402048 /nfs/dbraw/zinc/40/20/48/569402048.db2.gz XMKOJNYQAUTPQU-TWJOJJKGSA-N 0 0 445.526 5.033 50 30 IKEARN Cc1cc2c(cc1C)n1c(C(=O)/C=C\c3ccc(N(C)C)cc3)c(-c3ccccc3)nc1n2C ZINC000334163143 569402158 /nfs/dbraw/zinc/40/21/58/569402158.db2.gz MKZRGQOENWGTSN-SSZFMOIBSA-N 0 0 448.570 6.072 50 30 IKEARN CCSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1 ZINC000097020912 569402782 /nfs/dbraw/zinc/40/27/82/569402782.db2.gz YRTDAXZICHTWPO-GIJQJNRQSA-N 0 0 440.331 5.469 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1OC ZINC000028052519 569406806 /nfs/dbraw/zinc/40/68/06/569406806.db2.gz HUMNHWCCBPONDM-MHECFPHRSA-N 0 0 430.504 5.267 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1OC ZINC000028052527 569406810 /nfs/dbraw/zinc/40/68/10/569406810.db2.gz TWCIAMNXLKVWJP-MHECFPHRSA-N 0 0 430.504 5.267 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051610 569406851 /nfs/dbraw/zinc/40/68/51/569406851.db2.gz HYLJVUKIDKABHT-HRAATJIYSA-N 0 0 435.321 5.704 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1OC ZINC000028052531 569406867 /nfs/dbraw/zinc/40/68/67/569406867.db2.gz VHXXFYJDKOXMIE-XDHUDOTRSA-N 0 0 430.504 5.267 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)c(C)c3)c2c1 ZINC000028182405 569408626 /nfs/dbraw/zinc/40/86/26/569408626.db2.gz OEGDNQGXHQIMCN-UHFFFAOYSA-N 0 0 441.527 6.932 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182448 569408650 /nfs/dbraw/zinc/40/86/50/569408650.db2.gz DBGDDNVVIJTJOT-XYGWBWBKSA-N 0 0 432.564 5.902 50 30 IKEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccc(OC)cc13)O2 ZINC000028182571 569408704 /nfs/dbraw/zinc/40/87/04/569408704.db2.gz CWPWWNGWKLOONA-CFRMEGHHSA-N 0 0 434.536 5.131 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c2ccccc21 ZINC000028182594 569408730 /nfs/dbraw/zinc/40/87/30/569408730.db2.gz WCOWGGOSYCTFAU-QFEZKATASA-N 0 0 443.930 6.818 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c2cc(OC)ccc21 ZINC000028182808 569408737 /nfs/dbraw/zinc/40/87/37/569408737.db2.gz CMBHOEYVCJCPAT-MXAYSNPKSA-N 0 0 446.547 5.224 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2ccccc21 ZINC000028182667 569408745 /nfs/dbraw/zinc/40/87/45/569408745.db2.gz RIOAIJQUVPDBRR-WGARJPEWSA-N 0 0 425.484 5.865 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182565 569408754 /nfs/dbraw/zinc/40/87/54/569408754.db2.gz LQDBMUVTXLKXQX-WKIKZPBSSA-N 0 0 439.511 6.173 50 30 IKEARN COc1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)cc1 ZINC000028182491 569408776 /nfs/dbraw/zinc/40/87/76/569408776.db2.gz HWNUBSAILPTMGP-ZRGSRPPYSA-N 0 0 441.483 5.391 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182561 569408777 /nfs/dbraw/zinc/40/87/77/569408777.db2.gz QNSBUEADBQLWEJ-WGARJPEWSA-N 0 0 439.511 6.173 50 30 IKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccc(OC)cc13)O2 ZINC000028182812 569408791 /nfs/dbraw/zinc/40/87/91/569408791.db2.gz BNCBZIGIGYJUDJ-CFRMEGHHSA-N 0 0 434.536 5.224 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000028182853 569408975 /nfs/dbraw/zinc/40/89/75/569408975.db2.gz FKXGRIWUNAQTNC-YSMPRRRNSA-N 0 0 438.527 5.615 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c2ccccc21 ZINC000028182828 569408989 /nfs/dbraw/zinc/40/89/89/569408989.db2.gz KNZBUASZAPIDPL-ZMFRSBBQSA-N 0 0 446.591 6.097 50 30 IKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002602897 569410117 /nfs/dbraw/zinc/41/01/17/569410117.db2.gz NAVDYNSOFWMDQP-UHFFFAOYSA-N 0 0 433.592 5.957 50 30 IKEARN CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000002602888 569410131 /nfs/dbraw/zinc/41/01/31/569410131.db2.gz UHCMZZHMTJRBAP-UHFFFAOYSA-N 0 0 441.999 6.054 50 30 IKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000002602896 569410137 /nfs/dbraw/zinc/41/01/37/569410137.db2.gz QJDNUOIYPWEDQA-UHFFFAOYSA-N 0 0 441.999 6.141 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SC(=O)N3CCCC3)c2C#N)cc1OC ZINC000215680321 569411357 /nfs/dbraw/zinc/41/13/57/569411357.db2.gz NPQZZIPNGJRRSV-UHFFFAOYSA-N 0 0 445.544 5.612 50 30 IKEARN C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002627750 569411920 /nfs/dbraw/zinc/41/19/20/569411920.db2.gz AEBRVPOURBJFDZ-UHFFFAOYSA-N 0 0 431.565 5.771 50 30 IKEARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000002636556 569413028 /nfs/dbraw/zinc/41/30/28/569413028.db2.gz AKQIIKBCSRRDKF-UHFFFAOYSA-N 0 0 426.497 5.539 50 30 IKEARN CCc1cc2c(ncnc2SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 ZINC000002639368 569413355 /nfs/dbraw/zinc/41/33/55/569413355.db2.gz GLQPXVPRCCSIAR-NSHDSACASA-N 0 0 428.608 5.042 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000002639741 569413410 /nfs/dbraw/zinc/41/34/10/569413410.db2.gz QBOWJYUAEZTQIU-UHFFFAOYSA-N 0 0 438.343 5.800 50 30 IKEARN O=C(CSc1cccc(/N=C/c2cccnc2Cl)c1)Nc1cccc2ccccc21 ZINC000215717928 569413554 /nfs/dbraw/zinc/41/35/54/569413554.db2.gz GVHRYHVQSCSEIP-JFLMPSFJSA-N 0 0 431.948 6.370 50 30 IKEARN CCOc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2cccc(Cl)c2)cc1 ZINC000002640534 569413656 /nfs/dbraw/zinc/41/36/56/569413656.db2.gz RZVHAQXHAYZXKL-UHFFFAOYSA-N 0 0 446.963 6.150 50 30 IKEARN CC[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nnc(C)s1 ZINC000215748795 569415240 /nfs/dbraw/zinc/41/52/40/569415240.db2.gz VPQRYGJCBYYUQF-URMYYVDKSA-N 0 0 431.974 5.155 50 30 IKEARN CC[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nnc(C)s1 ZINC000215748847 569415375 /nfs/dbraw/zinc/41/53/75/569415375.db2.gz VPQRYGJCBYYUQF-XHADFYDMSA-N 0 0 431.974 5.155 50 30 IKEARN N#Cc1c(N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002678389 569416555 /nfs/dbraw/zinc/41/65/55/569416555.db2.gz MDOCUJBIZRLWOL-KRWDZBQOSA-N 0 0 446.762 5.176 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(F)cccc3Cl)sc2C1 ZINC000002736818 569419102 /nfs/dbraw/zinc/41/91/02/569419102.db2.gz PDUHGYQQRGTWGW-PLSXKVAHSA-N 0 0 430.976 6.605 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1 ZINC000002744321 569419870 /nfs/dbraw/zinc/41/98/70/569419870.db2.gz JKKZDNGUKYWROQ-GOSISDBHSA-N 0 0 442.584 6.254 50 30 IKEARN N#Cc1c(NC(=O)c2cccc(Cl)c2Cl)scc1-c1ccc(Cl)cc1Cl ZINC000002749488 569419937 /nfs/dbraw/zinc/41/99/37/569419937.db2.gz MGIZTSJALCDBMQ-UHFFFAOYSA-N 0 0 442.154 7.153 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)s1 ZINC000002752311 569420207 /nfs/dbraw/zinc/42/02/07/569420207.db2.gz XBCZYCUXFAHKBL-CQSZACIVSA-N 0 0 443.597 6.582 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3c(C)onc3-c3ccccc3)sc2C1 ZINC000002757211 569420274 /nfs/dbraw/zinc/42/02/74/569420274.db2.gz WGRKUFMHQURTPG-QGZVFWFLSA-N 0 0 433.577 6.377 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)s1 ZINC000002752310 569420324 /nfs/dbraw/zinc/42/03/24/569420324.db2.gz XBCZYCUXFAHKBL-AWEZNQCLSA-N 0 0 443.597 6.582 50 30 IKEARN Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)c(C)c1[N+](=O)[O-] ZINC000002760723 569420543 /nfs/dbraw/zinc/42/05/43/569420543.db2.gz XIVTXNQMJZEHSY-UHFFFAOYSA-N 0 0 443.573 5.199 50 30 IKEARN COC(=O)c1ccc(CSc2nc(C(F)(F)F)c3c(c2C#N)CCc2ccccc2-3)o1 ZINC000002761703 569420599 /nfs/dbraw/zinc/42/05/99/569420599.db2.gz NYTJMMXZDLJREY-UHFFFAOYSA-N 0 0 444.434 5.410 50 30 IKEARN Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000002790906 569421535 /nfs/dbraw/zinc/42/15/35/569421535.db2.gz BYNAUSKQQZFGOL-STQMWFEESA-N 0 0 449.418 5.238 50 30 IKEARN CCn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 ZINC000002791617 569421601 /nfs/dbraw/zinc/42/16/01/569421601.db2.gz WGWGVQRXUWIMDA-LLVKDONJSA-N 0 0 435.391 5.002 50 30 IKEARN COc1ccc(C=Nn2c(C)n[nH]c2=S)cc1COc1ccccc1Cc1ccccc1 ZINC000002792182 569421910 /nfs/dbraw/zinc/42/19/10/569421910.db2.gz BFYIIPWEXIGCCM-WGOQTCKBSA-N 0 0 444.560 5.310 50 30 IKEARN Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Br)c1 ZINC000002843195 569423232 /nfs/dbraw/zinc/42/32/32/569423232.db2.gz PJWKOZHHVWWANG-LLVKDONJSA-N 0 0 433.371 5.141 50 30 IKEARN Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Br)c1 ZINC000002843194 569423273 /nfs/dbraw/zinc/42/32/73/569423273.db2.gz PJWKOZHHVWWANG-NSHDSACASA-N 0 0 433.371 5.141 50 30 IKEARN N#Cc1ccccc1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002846267 569423360 /nfs/dbraw/zinc/42/33/60/569423360.db2.gz BYYKIUAORHBLTR-UHFFFAOYSA-N 0 0 429.570 5.490 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000002875722 569423845 /nfs/dbraw/zinc/42/38/45/569423845.db2.gz PSCYOAHISXOAEK-UHFFFAOYSA-N 0 0 449.535 6.214 50 30 IKEARN CCCCCCCCNC(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C ZINC000002911078 569424855 /nfs/dbraw/zinc/42/48/55/569424855.db2.gz OCBLNSDZFOACDJ-UHFFFAOYSA-N 0 0 446.016 5.558 50 30 IKEARN CCCCCCCCNC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C ZINC000002910974 569424868 /nfs/dbraw/zinc/42/48/68/569424868.db2.gz OTFUXQQOLMAZFM-UHFFFAOYSA-N 0 0 429.561 5.044 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CC)cc2)c1 ZINC000003024725 569436246 /nfs/dbraw/zinc/43/62/46/569436246.db2.gz BOCGOKXAXCBFIS-UHFFFAOYSA-N 0 0 438.524 5.022 50 30 IKEARN Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1C ZINC000003041846 569438475 /nfs/dbraw/zinc/43/84/75/569438475.db2.gz NOQVWQQECKDOKW-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1ccc(C(=O)O/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000003063996 569439705 /nfs/dbraw/zinc/43/97/05/569439705.db2.gz GCHLXCJTQVXSQY-QLYXXIJNSA-N 0 0 439.298 5.410 50 30 IKEARN CC(C)(C)c1cc(Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc(C(C)(C)C)c1O ZINC000003087916 569439894 /nfs/dbraw/zinc/43/98/94/569439894.db2.gz ZAHIGILLBKURKF-UHFFFAOYSA-N 0 0 426.775 6.958 50 30 IKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c(C)c1Cl ZINC000003084985 569439904 /nfs/dbraw/zinc/43/99/04/569439904.db2.gz NXAMLJUECDAUNT-CCVNUDIWSA-N 0 0 426.903 7.374 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@H]2c1ccc(Br)cc1 ZINC000003084296 569439913 /nfs/dbraw/zinc/43/99/13/569439913.db2.gz IUXBEHKJJCLTEE-QHCPKHFHSA-N 0 0 432.361 6.912 50 30 IKEARN CN(Cc1ccco1)C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000029970044 569439937 /nfs/dbraw/zinc/43/99/37/569439937.db2.gz NXEXHCRLYNGJNV-UHFFFAOYSA-N 0 0 437.468 5.044 50 30 IKEARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000057589886 569440037 /nfs/dbraw/zinc/44/00/37/569440037.db2.gz LHVPKWLJSJYRAH-VWLOTQADSA-N 0 0 427.504 5.515 50 30 IKEARN N#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000003104434 569440195 /nfs/dbraw/zinc/44/01/95/569440195.db2.gz ZSQUXEXNJYOSBX-UHFFFAOYSA-N 0 0 432.854 6.634 50 30 IKEARN CSc1cc(-c2ccc(Cl)cc2)n(Cc2c(Cl)cccc2Cl)c(=O)c1C#N ZINC000003105322 569440253 /nfs/dbraw/zinc/44/02/53/569440253.db2.gz GHPSWXYVLYTUKI-UHFFFAOYSA-N 0 0 435.763 6.117 50 30 IKEARN Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 ZINC000003104529 569440278 /nfs/dbraw/zinc/44/02/78/569440278.db2.gz IFUYCCUUDPYIAM-UHFFFAOYSA-N 0 0 445.327 5.259 50 30 IKEARN Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2C#N)cc1 ZINC000003104531 569440283 /nfs/dbraw/zinc/44/02/83/569440283.db2.gz VGENYHYOKQXCBB-UHFFFAOYSA-N 0 0 445.327 5.259 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1O ZINC000003114099 569440436 /nfs/dbraw/zinc/44/04/36/569440436.db2.gz LZOGAVUMPUSEMR-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)ccc1Cl ZINC000003116199 569440476 /nfs/dbraw/zinc/44/04/76/569440476.db2.gz FZZUYYFNBCGPNU-LGJNPRDNSA-N 0 0 443.846 6.666 50 30 IKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(C)cc2)[C@@H]3c2ccccc2)cc1 ZINC000003133494 569440723 /nfs/dbraw/zinc/44/07/23/569440723.db2.gz JYQLFXRCUAMMQO-RBRLEXCSSA-N 0 0 432.519 7.208 50 30 IKEARN Clc1cccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc54)ccc3o2)c1 ZINC000003144706 569440833 /nfs/dbraw/zinc/44/08/33/569440833.db2.gz MKUAKBVZWKWOKS-OCSSWDANSA-N 0 0 432.910 8.205 50 30 IKEARN O=C(Nc1ccc(SC(F)F)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000003171742 569441178 /nfs/dbraw/zinc/44/11/78/569441178.db2.gz BFRMQKHJWLXAAO-AWEZNQCLSA-N 0 0 445.331 6.126 50 30 IKEARN O=C(Nc1ccc(SC(F)F)cc1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000003171741 569441195 /nfs/dbraw/zinc/44/11/95/569441195.db2.gz BFRMQKHJWLXAAO-CQSZACIVSA-N 0 0 445.331 6.126 50 30 IKEARN N#Cc1c(NC(=O)c2ccco2)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1 ZINC000003170729 569441216 /nfs/dbraw/zinc/44/12/16/569441216.db2.gz PLNAJDHXAVOTBU-UHFFFAOYSA-N 0 0 435.527 7.044 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@H]2CCCO2)cc1 ZINC000003177506 569441252 /nfs/dbraw/zinc/44/12/52/569441252.db2.gz NCRXMKZGGATECI-SNVBAGLBSA-N 0 0 436.418 5.035 50 30 IKEARN CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21 ZINC000254814774 569441740 /nfs/dbraw/zinc/44/17/40/569441740.db2.gz MTQXMUIZZNAIMP-QGZVFWFLSA-N 0 0 444.556 5.975 50 30 IKEARN O=C(c1cc(Br)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc2ccccc2o1 ZINC000003219112 569441927 /nfs/dbraw/zinc/44/19/27/569441927.db2.gz QHMHFCVYDZWXGM-RPWUZVMVSA-N 0 0 449.300 6.097 50 30 biogenic IKEARN O=C(c1cc(Br)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc2ccccc2o1 ZINC000003219114 569441936 /nfs/dbraw/zinc/44/19/36/569441936.db2.gz QHMHFCVYDZWXGM-ZEQRLZLVSA-N 0 0 449.300 6.097 50 30 biogenic IKEARN CC[C@H](C)CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000003244152 569442708 /nfs/dbraw/zinc/44/27/08/569442708.db2.gz KLEMNTVKTPEXQB-SFHVURJKSA-N 0 0 448.592 5.215 50 30 IKEARN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2 ZINC000003257802 569443129 /nfs/dbraw/zinc/44/31/29/569443129.db2.gz ISIRFAZESBKVDP-XMMPIXPASA-N 0 0 447.494 5.383 50 30 IKEARN N#Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1 ZINC000003287572 569444158 /nfs/dbraw/zinc/44/41/58/569444158.db2.gz YJHVPOIWLWRMGX-UHFFFAOYSA-N 0 0 428.289 5.788 50 30 IKEARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000003293671 569444511 /nfs/dbraw/zinc/44/45/11/569444511.db2.gz QNHJNKBAGKZWQL-GOSISDBHSA-N 0 0 444.556 6.018 50 30 IKEARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000003293672 569444531 /nfs/dbraw/zinc/44/45/31/569444531.db2.gz QNHJNKBAGKZWQL-SFHVURJKSA-N 0 0 444.556 6.018 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003314655 569445672 /nfs/dbraw/zinc/44/56/72/569445672.db2.gz RCKMXWSAEKIHFR-UHFFFAOYSA-N 0 0 441.874 5.222 50 30 IKEARN Cc1ccc(C)c(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)c1 ZINC000003323079 569446091 /nfs/dbraw/zinc/44/60/91/569446091.db2.gz WXRAKQHSCFRVAE-UHFFFAOYSA-N 0 0 430.964 6.369 50 30 IKEARN Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2Cc2ccc(C#N)cc2)cc1 ZINC000003324405 569446133 /nfs/dbraw/zinc/44/61/33/569446133.db2.gz NHUSKOBTZZRGRI-VWLOTQADSA-N 0 0 436.559 5.782 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1C1CCCCC1 ZINC000003365313 569448116 /nfs/dbraw/zinc/44/81/16/569448116.db2.gz KAVGAUDJPSHQSJ-UHFFFAOYSA-N 0 0 434.609 5.894 50 30 IKEARN CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000003368415 569448278 /nfs/dbraw/zinc/44/82/78/569448278.db2.gz RUNRVLMLPOJYQN-UHFFFAOYSA-N 0 0 443.565 5.978 50 30 IKEARN C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)nnc1C1CCCCC1 ZINC000003405696 569449889 /nfs/dbraw/zinc/44/98/89/569449889.db2.gz DZSXXWFCWIZJHL-UHFFFAOYSA-N 0 0 449.502 5.059 50 30 IKEARN CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 ZINC000003419636 569450313 /nfs/dbraw/zinc/45/03/13/569450313.db2.gz MWBYKHRHSIVOPB-GOSISDBHSA-N 0 0 442.997 5.734 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1 ZINC000217738094 569452436 /nfs/dbraw/zinc/45/24/36/569452436.db2.gz PQALWAMMDDOMKX-JWRUUXOFSA-N 0 0 449.462 5.301 50 30 biogenic IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1 ZINC000217826540 569453768 /nfs/dbraw/zinc/45/37/68/569453768.db2.gz AEHDUFYLQRGKTI-ZWAQGKOVSA-N 0 0 444.508 5.474 50 30 biogenic IKEARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(CCC#N)c4)cc3n2)cc1 ZINC000003629649 569455205 /nfs/dbraw/zinc/45/52/05/569455205.db2.gz HKVBDDQQZACKMH-UHFFFAOYSA-N 0 0 449.436 5.432 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)NC1CCCCC1 ZINC000003664756 569455991 /nfs/dbraw/zinc/45/59/91/569455991.db2.gz BXDIGIUWBUWTND-YDZHTSKRSA-N 0 0 425.579 5.294 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC ZINC000003960957 569457240 /nfs/dbraw/zinc/45/72/40/569457240.db2.gz LRFGGRBSEBBYMH-UHFFFAOYSA-N 0 0 448.342 5.044 50 30 IKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC ZINC000004046043 569458405 /nfs/dbraw/zinc/45/84/05/569458405.db2.gz BNXKWKMOTCPNTP-HHHXNRCGSA-N 0 0 427.544 6.557 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2cccc(O)c2)N(C2CCCCC2)C1=O ZINC000004082101 569458729 /nfs/dbraw/zinc/45/87/29/569458729.db2.gz FNCMHXRZFSKYSF-ZMPCKTLKSA-N 0 0 437.590 5.699 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(F)cc2)N(c2ccc(O)cc2)C1=O ZINC000004109151 569459135 /nfs/dbraw/zinc/45/91/35/569459135.db2.gz RXXRJWWFBRVIFN-JXAXBCJLSA-N 0 0 449.532 5.710 50 30 IKEARN O=C(/C=C/c1cccs1)c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000004118397 569459516 /nfs/dbraw/zinc/45/95/16/569459516.db2.gz SLUUZRPTTYEAET-FMIVXFBMSA-N 0 0 449.347 5.174 50 30 IKEARN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 ZINC000004119366 569459680 /nfs/dbraw/zinc/45/96/80/569459680.db2.gz PIOLVQGEXCLVMJ-AFUMVMLFSA-N 0 0 435.480 5.499 50 30 IKEARN C=CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004136674 569460298 /nfs/dbraw/zinc/46/02/98/569460298.db2.gz TWADNKXCZHJPEX-DYMLFOFBSA-N 0 0 439.588 5.438 50 30 IKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004150328 569460515 /nfs/dbraw/zinc/46/05/15/569460515.db2.gz KNCPPOGHVALJQT-SFHVURJKSA-N 0 0 427.570 5.010 50 30 IKEARN C/N=C1\S/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C ZINC000059596807 569461913 /nfs/dbraw/zinc/46/19/13/569461913.db2.gz NOGLDMOKBGVJSZ-HSNALWFWSA-N 0 0 425.312 5.243 50 30 IKEARN COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)c1 ZINC000066437599 569462156 /nfs/dbraw/zinc/46/21/56/569462156.db2.gz XZRXGPLICPZRBC-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 biogenic IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1F ZINC000066437811 569462177 /nfs/dbraw/zinc/46/21/77/569462177.db2.gz PCWAVAMTWDJTOA-UHFFFAOYSA-N 0 0 432.474 5.195 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1cccc(OC)c1)NCCc1c[nH]c2ccccc12 ZINC000066437780 569462178 /nfs/dbraw/zinc/46/21/78/569462178.db2.gz NRFPAIOVYQQYQK-UHFFFAOYSA-N 0 0 440.547 5.180 50 30 biogenic IKEARN CC(C)c1ccc(NC(=NC(=O)c2cccs2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437774 569462179 /nfs/dbraw/zinc/46/21/79/569462179.db2.gz TWRHLQHBARIJSN-UHFFFAOYSA-N 0 0 430.577 5.793 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2)cc1 ZINC000066437680 569462197 /nfs/dbraw/zinc/46/21/97/569462197.db2.gz KJMAVRSDMHFUPV-UHFFFAOYSA-N 0 0 426.520 5.007 50 30 IKEARN Cc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)o1 ZINC000008386392 569462683 /nfs/dbraw/zinc/46/26/83/569462683.db2.gz DYNPFCBZGUZQRS-ACCUITESSA-N 0 0 432.317 6.770 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1-c1cccs1)CCCC2 ZINC000008405999 569463998 /nfs/dbraw/zinc/46/39/98/569463998.db2.gz NCDQVCLOWQNZLD-UHFFFAOYSA-N 0 0 431.413 7.160 50 30 IKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 ZINC000008441155 569464542 /nfs/dbraw/zinc/46/45/42/569464542.db2.gz KYAQIQUMHYOWDO-UHFFFAOYSA-N 0 0 436.580 7.287 50 30 IKEARN CCCc1nc(NC(=O)c2ccccc2)c(C#N)c(-c2cccc(Br)c2)c1CC ZINC000008443376 569464674 /nfs/dbraw/zinc/46/46/74/569464674.db2.gz FJZIBWCVFFLHSF-UHFFFAOYSA-N 0 0 448.364 6.150 50 30 IKEARN CCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000008443102 569464684 /nfs/dbraw/zinc/46/46/84/569464684.db2.gz YDQCASKWHQRYQD-CYBMUJFWSA-N 0 0 428.966 6.046 50 30 IKEARN Fc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN12 ZINC000008445276 569464808 /nfs/dbraw/zinc/46/48/08/569464808.db2.gz KAEOUMMZLMOTTH-UHFFFAOYSA-N 0 0 432.126 5.324 50 30 IKEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)c2c1 ZINC000038651598 569465670 /nfs/dbraw/zinc/46/56/70/569465670.db2.gz MGMZPUXZYPOPDV-UHFFFAOYSA-N 0 0 434.927 5.014 50 30 IKEARN O=C(C1=CN[C@@H](c2nc(-c3cccnc3)cs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000008694233 569470032 /nfs/dbraw/zinc/47/00/32/569470032.db2.gz ZUCDXCDTCAMUQB-XZOQPEGZSA-N 0 0 443.959 6.053 50 30 IKEARN CC(=O)c1ccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1 ZINC000008722630 569471822 /nfs/dbraw/zinc/47/18/22/569471822.db2.gz GUCWECKGHXPXSH-YLKCYHHESA-N 0 0 444.306 6.170 50 30 IKEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000008722656 569471847 /nfs/dbraw/zinc/47/18/47/569471847.db2.gz FBQDQLYHLXDSDZ-AFUMVMLFSA-N 0 0 446.532 5.077 50 30 IKEARN C=CCSc1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 ZINC000008733634 569472523 /nfs/dbraw/zinc/47/25/23/569472523.db2.gz NNZPJQACTMZGNL-UHFFFAOYSA-N 0 0 447.585 6.085 50 30 IKEARN N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000008750671 569473373 /nfs/dbraw/zinc/47/33/73/569473373.db2.gz RTHQDDICJBIVJN-UHFFFAOYSA-N 0 0 438.552 5.813 50 30 IKEARN Cc1cc(C)nc(NC(=NC(=S)Nc2cccc(Cl)c2C)NCc2ccccc2)n1 ZINC000008757291 569474133 /nfs/dbraw/zinc/47/41/33/569474133.db2.gz RVELXSFCWAXUAD-UHFFFAOYSA-N 0 0 438.988 5.010 50 30 IKEARN N#Cc1c(NC2CCCCC2)nc(SCc2ccccc2Cl)nc1-c1ccccc1 ZINC000008762250 569474268 /nfs/dbraw/zinc/47/42/68/569474268.db2.gz OYRBWZKIJHPAPS-UHFFFAOYSA-N 0 0 434.996 6.706 50 30 IKEARN N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000008762203 569474274 /nfs/dbraw/zinc/47/42/74/569474274.db2.gz OQBRYNGDPBBFPE-UHFFFAOYSA-N 0 0 433.747 6.922 50 30 IKEARN FC(F)(F)c1cnc(C(N=Nc2cccc(Cl)n2)c2ccc(Cl)cc2)c(Cl)c1 ZINC000008762156 569474281 /nfs/dbraw/zinc/47/42/81/569474281.db2.gz HOGJZKDRNSHPCA-NTFVMDSBSA-N 0 0 445.659 6.320 50 30 IKEARN CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000008763606 569474413 /nfs/dbraw/zinc/47/44/13/569474413.db2.gz MHEARSTZMUHZRS-MOSHPQCFSA-N 0 0 435.461 5.781 50 30 IKEARN C[C@@H](NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000008763346 569474434 /nfs/dbraw/zinc/47/44/34/569474434.db2.gz ZTAJNUUCTRKCMJ-OKCZUIDTSA-N 0 0 429.545 5.090 50 30 IKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000008766260 569474835 /nfs/dbraw/zinc/47/48/35/569474835.db2.gz BDPSWEFVRZVWCQ-LPYMAVHISA-N 0 0 429.387 5.865 50 30 IKEARN O=C(N/C=N/OCc1c(Cl)cccc1Cl)NOCc1c(Cl)cccc1Cl ZINC000008781894 569475729 /nfs/dbraw/zinc/47/57/29/569475729.db2.gz MCRNPDNEHJAQFP-UHFFFAOYSA-N 0 0 437.110 5.191 50 30 IKEARN Cc1cccc(-c2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c3c2CCCC3)c1 ZINC000008782169 569475738 /nfs/dbraw/zinc/47/57/38/569475738.db2.gz BFUMQVPMTCBKHW-UHFFFAOYSA-N 0 0 439.411 7.407 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2c(F)cccc2Cl)C3)cc1 ZINC000008781989 569475767 /nfs/dbraw/zinc/47/57/67/569475767.db2.gz IQUCGUDURTXEDY-QMTYFTJSSA-N 0 0 448.925 6.467 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2c(F)cccc2Cl)C3)cc1 ZINC000008781988 569475781 /nfs/dbraw/zinc/47/57/81/569475781.db2.gz IQUCGUDURTXEDY-YHAMSUFESA-N 0 0 448.925 6.467 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O ZINC000008791186 569476134 /nfs/dbraw/zinc/47/61/34/569476134.db2.gz KOEWWJHCGXOYSZ-UOKWBDCBSA-N 0 0 430.887 6.243 50 30 biogenic IKEARN N#Cc1c(SCC(=O)NCc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000008809556 569476523 /nfs/dbraw/zinc/47/65/23/569476523.db2.gz JDDYMUGBHUNKIB-UHFFFAOYSA-N 0 0 441.581 5.757 50 30 IKEARN COc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000008809684 569476528 /nfs/dbraw/zinc/47/65/28/569476528.db2.gz ZXHSZEMUTDQNGD-UHFFFAOYSA-N 0 0 438.552 6.597 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008809717 569476542 /nfs/dbraw/zinc/47/65/42/569476542.db2.gz TZXVUJFCIMGZSW-ZNZIZOMTSA-N 0 0 449.485 5.119 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000008817387 569476823 /nfs/dbraw/zinc/47/68/23/569476823.db2.gz FJEKASOJDJPVBY-WNCULLNHSA-N 0 0 442.515 5.511 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008817529 569476982 /nfs/dbraw/zinc/47/69/82/569476982.db2.gz BDFYXGMBRLNPGT-OAQYLSRUSA-N 0 0 444.512 5.597 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008818145 569476992 /nfs/dbraw/zinc/47/69/92/569476992.db2.gz VHZOHYRWKVKIDZ-NWEVARLASA-N 0 0 445.902 5.531 50 30 IKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000008826420 569477559 /nfs/dbraw/zinc/47/75/59/569477559.db2.gz BMPMYCNETFWDCE-QHCPKHFHSA-N 0 0 436.475 5.630 50 30 IKEARN Cc1ccc2c(ccc3c2[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N3)n1 ZINC000008846658 569479156 /nfs/dbraw/zinc/47/91/56/569479156.db2.gz WJEPMVOKOODBNE-JOCHJYFZSA-N 0 0 437.370 7.051 50 30 IKEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)c1 ZINC000008853472 569479564 /nfs/dbraw/zinc/47/95/64/569479564.db2.gz SFLZQGIPXVZJBF-OEAKJJBVSA-N 0 0 425.513 5.337 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000008854741 569479635 /nfs/dbraw/zinc/47/96/35/569479635.db2.gz FNOYHEBTRUGYFK-QHCPKHFHSA-N 0 0 437.536 5.171 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008857938 569479887 /nfs/dbraw/zinc/47/98/87/569479887.db2.gz HBLGLZQWEYAKKR-QFIPXVFZSA-N 0 0 448.906 5.307 50 30 IKEARN CC(C)Oc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000008871712 569480881 /nfs/dbraw/zinc/48/08/81/569480881.db2.gz WCHHTWZHBMKTHS-QJOMJCCJSA-N 0 0 426.516 6.105 50 30 IKEARN C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(CC=C)C1=O ZINC000008872400 569480947 /nfs/dbraw/zinc/48/09/47/569480947.db2.gz HZDFMFHDPFRAHV-XLNRJJMWSA-N 0 0 437.586 5.260 50 30 IKEARN Oc1ccc(Cl)cc1CN=Nc1nc(NCc2ccccc2)nc(Nc2ccccc2)n1 ZINC000008872656 569481005 /nfs/dbraw/zinc/48/10/05/569481005.db2.gz CKTRMSMOPPBPKU-CVKSISIWSA-N 0 0 445.914 5.032 50 30 IKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)c1 ZINC000039404149 569481587 /nfs/dbraw/zinc/48/15/87/569481587.db2.gz QUFVMSYOWYCWJZ-UHFFFAOYSA-N 0 0 443.459 5.343 50 30 IKEARN O=C(/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2o1)c1ccccc1 ZINC000008915588 569485554 /nfs/dbraw/zinc/48/55/54/569485554.db2.gz MVRKMJGXXJAUJI-LTGZKZEYSA-N 0 0 436.423 6.420 50 30 IKEARN COc1ccc(C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000008915586 569485562 /nfs/dbraw/zinc/48/55/62/569485562.db2.gz KRMZCWQIFNPRJZ-CPNJWEJPSA-N 0 0 445.471 5.286 50 30 IKEARN C=CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)n1 ZINC000008915593 569485573 /nfs/dbraw/zinc/48/55/73/569485573.db2.gz CDYILBYMZSBECC-UHFFFAOYSA-N 0 0 449.919 5.638 50 30 IKEARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000008922596 569486949 /nfs/dbraw/zinc/48/69/49/569486949.db2.gz VBOAJZKGULBSLR-HEAKDJBOSA-N 0 0 431.919 5.055 50 30 IKEARN CN1CCc2c(sc(/N=C/c3cccc(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000008923785 569487026 /nfs/dbraw/zinc/48/70/26/569487026.db2.gz BCWNNTMSZASVJY-BRJLIKDPSA-N 0 0 444.387 6.046 50 30 IKEARN Cc1nc2ccc(N=C3SC(=CNc4ccc(C)c(Cl)c4)C(=O)N3C)cc2s1 ZINC000008927955 569487338 /nfs/dbraw/zinc/48/73/38/569487338.db2.gz NRNLJULMUJRGLZ-KNNUAVEPSA-N 0 0 428.970 5.713 50 30 IKEARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000008934240 569487937 /nfs/dbraw/zinc/48/79/37/569487937.db2.gz YIGFLYRWYSANKM-CYXNTTPDSA-N 0 0 449.485 5.119 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000008952260 569490024 /nfs/dbraw/zinc/49/00/24/569490024.db2.gz IUKZGBAPYWOIJS-SXGWCWSVSA-N 0 0 438.307 5.676 50 30 IKEARN CCCN(/C=N/c1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N)CCC ZINC000008952090 569490028 /nfs/dbraw/zinc/49/00/28/569490028.db2.gz OXCSOZOKUFRGEN-MTDXEUNCSA-N 0 0 431.536 6.284 50 30 IKEARN N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1 ZINC000008965426 569491442 /nfs/dbraw/zinc/49/14/42/569491442.db2.gz UEHZUYCJAOBKQF-UHFFFAOYSA-N 0 0 426.497 5.716 50 30 IKEARN O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3ncnc4scc(-c5ccccc5)c43)o2)c1 ZINC000008970562 569492034 /nfs/dbraw/zinc/49/20/34/569492034.db2.gz FNRUVQPSEKXRTD-RPPGKUMJSA-N 0 0 441.472 5.973 50 30 IKEARN Cc1ccc(C(CCC(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)o2)o1 ZINC000008972026 569492741 /nfs/dbraw/zinc/49/27/41/569492741.db2.gz LFXGNYHOPQCHJZ-LPYMAVHISA-N 0 0 426.429 5.706 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000008983775 569494641 /nfs/dbraw/zinc/49/46/41/569494641.db2.gz RATOWRWPHQWHRD-WQRHYEAKSA-N 0 0 446.937 5.214 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl ZINC000008986406 569494802 /nfs/dbraw/zinc/49/48/02/569494802.db2.gz VQYYGXZPSUHTPV-XMMPIXPASA-N 0 0 443.374 6.691 50 30 IKEARN Cc1cccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 ZINC000008990380 569495032 /nfs/dbraw/zinc/49/50/32/569495032.db2.gz YGDKRWHBKSECKE-MTJSOVHGSA-N 0 0 426.877 5.032 50 30 IKEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 ZINC000008990625 569495038 /nfs/dbraw/zinc/49/50/38/569495038.db2.gz LWAFWWKMFBBDIG-HAHDFKILSA-N 0 0 434.513 5.368 50 30 IKEARN O=C1c2ccc(OCc3c(Cl)cccc3Cl)cc2O/C1=C\c1ccc2c(c1)OCO2 ZINC000008991370 569495227 /nfs/dbraw/zinc/49/52/27/569495227.db2.gz AAYATBYIDSOIQZ-AFPJDJCSSA-N 0 0 441.266 5.917 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)c4cccs4)c3C)C1=O)cn2C ZINC000008993319 569495429 /nfs/dbraw/zinc/49/54/29/569495429.db2.gz PNMFHKOIQLOJIB-SRZZPIQSSA-N 0 0 445.496 5.392 50 30 IKEARN CCCC[S@@](=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000008994478 569495552 /nfs/dbraw/zinc/49/55/52/569495552.db2.gz IEZCROJHWUNORM-MHZLTWQESA-N 0 0 439.378 5.957 50 30 IKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009007963 569496210 /nfs/dbraw/zinc/49/62/10/569496210.db2.gz AWHNIOPWOJZCQF-JOCHJYFZSA-N 0 0 446.890 5.083 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)cc1 ZINC000244947650 569496496 /nfs/dbraw/zinc/49/64/96/569496496.db2.gz DUORJTVBVQJQNS-NRSKXHDUSA-N 0 0 448.691 8.874 50 30 biogenic IKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1OC ZINC000009019004 569496815 /nfs/dbraw/zinc/49/68/15/569496815.db2.gz WLEOBYFYPYTMKM-QFIPXVFZSA-N 0 0 449.890 5.140 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000009020044 569496968 /nfs/dbraw/zinc/49/69/68/569496968.db2.gz CAIOWLYTAFINAI-HSZRJFAPSA-N 0 0 447.462 5.016 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccccc2OC)c2nc3ccccc3o2)cc1 ZINC000009031495 569497069 /nfs/dbraw/zinc/49/70/69/569497069.db2.gz CZRQXRRGBHIJGR-PYCFMQQDSA-N 0 0 427.500 6.439 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 ZINC000009030799 569497075 /nfs/dbraw/zinc/49/70/75/569497075.db2.gz LBYMAGCKHUAGHX-XLNRJJMWSA-N 0 0 431.919 7.084 50 30 IKEARN Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000009045343 569498091 /nfs/dbraw/zinc/49/80/91/569498091.db2.gz GPTAVQBLQNRPMQ-UHFFFAOYSA-N 0 0 439.540 6.228 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000009046297 569498326 /nfs/dbraw/zinc/49/83/26/569498326.db2.gz QQLVHETVPXWTBX-OAQYLSRUSA-N 0 0 444.487 5.527 50 30 IKEARN C=CCN1c2ccccc2[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O ZINC000009046354 569498363 /nfs/dbraw/zinc/49/83/63/569498363.db2.gz XBTHNDWNMHJLBQ-JYFHCDHNSA-N 0 0 441.918 5.269 50 30 IKEARN CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245205021 569498963 /nfs/dbraw/zinc/49/89/63/569498963.db2.gz LBERVHLCXUMDOT-ROQNDKPUSA-N 0 0 442.684 7.571 50 30 IKEARN CC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccccc2)S1 ZINC000009076528 569500294 /nfs/dbraw/zinc/50/02/94/569500294.db2.gz FUJXZSHIILDOHY-RUZDIDTESA-N 0 0 443.597 6.287 50 30 IKEARN C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095138 569501255 /nfs/dbraw/zinc/50/12/55/569501255.db2.gz CUNYULOBYNDRQS-WINIVTDRSA-N 0 0 449.554 5.379 50 30 IKEARN C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095136 569501277 /nfs/dbraw/zinc/50/12/77/569501277.db2.gz CUNYULOBYNDRQS-PPHZAIPVSA-N 0 0 449.554 5.379 50 30 IKEARN Cc1cnc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3cccs3)c2C#N)s1 ZINC000009111109 569502305 /nfs/dbraw/zinc/50/23/05/569502305.db2.gz JNGWMCCSESVCFP-UHFFFAOYSA-N 0 0 448.598 5.845 50 30 IKEARN N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c2ccccc21 ZINC000009111769 569502344 /nfs/dbraw/zinc/50/23/44/569502344.db2.gz JMNVULDBXBLUCS-UHFFFAOYSA-N 0 0 445.523 5.262 50 30 IKEARN Cc1ccc(C(C)C)c(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000009113065 569502468 /nfs/dbraw/zinc/50/24/68/569502468.db2.gz TZJDMCVEKVXTLC-OVVQPSECSA-N 0 0 447.535 6.321 50 30 IKEARN C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sc(CC)cc2c1=O ZINC000009128572 569505429 /nfs/dbraw/zinc/50/54/29/569505429.db2.gz ODEJKIAWHCFPRD-UHFFFAOYSA-N 0 0 444.969 5.202 50 30 IKEARN CCc1ccc(-c2nc(C)c(C(=O)C=C3NCCc4cc5c(cc43)OCCCO5)s2)cc1 ZINC000009128626 569505465 /nfs/dbraw/zinc/50/54/65/569505465.db2.gz GZJLRCIXDCZGMY-QNGOZBTKSA-N 0 0 446.572 5.212 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000009144993 569507369 /nfs/dbraw/zinc/50/73/69/569507369.db2.gz ZUWAGMUREHBHMM-UHFFFAOYSA-N 0 0 427.554 6.080 50 30 IKEARN C=C(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000009144876 569507418 /nfs/dbraw/zinc/50/74/18/569507418.db2.gz CHEFASWGPNAYOI-UHFFFAOYSA-N 0 0 433.602 6.426 50 30 IKEARN CC(C)COc1ccc(/C(CCCC/C(=N\O)c2ccc(OCC(C)C)cc2)=N/O)cc1 ZINC000009144810 569507424 /nfs/dbraw/zinc/50/74/24/569507424.db2.gz GAEFSJHIELENMF-NBHCHVEOSA-N 0 0 440.584 6.373 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2C1 ZINC000009158194 569508455 /nfs/dbraw/zinc/50/84/55/569508455.db2.gz UFFLWBZRTUICHD-OAHLLOKOSA-N 0 0 440.524 5.770 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc2c(c1)OCO2 ZINC000009158058 569508456 /nfs/dbraw/zinc/50/84/56/569508456.db2.gz VBIYYJYYZRDVIF-FBHDLOMBSA-N 0 0 438.794 5.043 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2C1 ZINC000009158195 569508460 /nfs/dbraw/zinc/50/84/60/569508460.db2.gz UFFLWBZRTUICHD-HNNXBMFYSA-N 0 0 440.524 5.770 50 30 IKEARN C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000009199500 569511120 /nfs/dbraw/zinc/51/11/20/569511120.db2.gz QFOAKMHXJAKBRU-INIZCTEOSA-N 0 0 436.606 5.253 50 30 IKEARN COc1cc(C(=O)Nc2cccc(C#N)c2)cc(Br)c1OCc1ccccc1 ZINC000009222831 569512814 /nfs/dbraw/zinc/51/28/14/569512814.db2.gz RAMPWGJXMZTJOF-UHFFFAOYSA-N 0 0 437.293 5.161 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009234001 569513922 /nfs/dbraw/zinc/51/39/22/569513922.db2.gz CATUEGNQZGESCX-NRFANRHFSA-N 0 0 444.487 5.527 50 30 IKEARN C=C(C)C(=O)N(CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000009235174 569514110 /nfs/dbraw/zinc/51/41/10/569514110.db2.gz IDXJTIWZDBAFJH-GDLZYMKVSA-N 0 0 448.651 5.866 50 30 IKEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c2[C@H]1c1ccco1 ZINC000009253352 569516198 /nfs/dbraw/zinc/51/61/98/569516198.db2.gz IIRCAJHZFIRMFP-KRWDZBQOSA-N 0 0 441.274 5.078 50 30 IKEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009261466 569516916 /nfs/dbraw/zinc/51/69/16/569516916.db2.gz AFXVEHLHXHVVBO-PBHICJAKSA-N 0 0 444.988 5.318 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cc2ccccc2o1 ZINC000009261453 569516947 /nfs/dbraw/zinc/51/69/47/569516947.db2.gz KULIIZBBAWGJGY-UHFFFAOYSA-N 0 0 436.562 5.330 50 30 IKEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009261478 569516956 /nfs/dbraw/zinc/51/69/56/569516956.db2.gz AFXVEHLHXHVVBO-WMLDXEAASA-N 0 0 444.988 5.318 50 30 IKEARN CC/N=C1/S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC ZINC000009261554 569516965 /nfs/dbraw/zinc/51/69/65/569516965.db2.gz VZESTVTXFIMOOI-RDQSSUSYSA-N 0 0 438.622 5.218 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1cc2ccccc2o1 ZINC000009262869 569517127 /nfs/dbraw/zinc/51/71/27/569517127.db2.gz XPARMPNEIXCCOM-UHFFFAOYSA-N 0 0 434.521 5.007 50 30 IKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009270872 569517664 /nfs/dbraw/zinc/51/76/64/569517664.db2.gz YSLRDVYZMDKANX-JOCHJYFZSA-N 0 0 433.891 5.522 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1 ZINC000009271493 569517793 /nfs/dbraw/zinc/51/77/93/569517793.db2.gz UUYCYWLPNAIMEE-NRFANRHFSA-N 0 0 444.487 5.527 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 ZINC000009271588 569517828 /nfs/dbraw/zinc/51/78/28/569517828.db2.gz YBYAGDZELJVOKD-OAQYLSRUSA-N 0 0 426.497 5.388 50 30 IKEARN O=C1C=C2C(=N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 ZINC000009272395 569517900 /nfs/dbraw/zinc/51/79/00/569517900.db2.gz WCSNDIBBXOJAOR-HEHLMWRFSA-N 0 0 442.562 6.597 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000009272804 569517969 /nfs/dbraw/zinc/51/79/69/569517969.db2.gz BGNSDCKQVAQFLK-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000009272800 569518009 /nfs/dbraw/zinc/51/80/09/569518009.db2.gz WJIGZNABDHCGEH-QFIPXVFZSA-N 0 0 433.891 5.522 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000009272628 569518048 /nfs/dbraw/zinc/51/80/48/569518048.db2.gz QOSSRUJFXGWGNB-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cccc3ccccc23)C1=O ZINC000009280110 569518521 /nfs/dbraw/zinc/51/85/21/569518521.db2.gz CBRLGKFIWQUIKP-QNGOZBTKSA-N 0 0 443.524 5.010 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)N(c1ccccc1)c1ccccc1 ZINC000009282069 569518675 /nfs/dbraw/zinc/51/86/75/569518675.db2.gz IUMGQZBDXQQQEU-XYGWBWBKSA-N 0 0 434.451 6.035 50 30 IKEARN C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc32)nnc1-c1ccccc1 ZINC000009283065 569518778 /nfs/dbraw/zinc/51/87/78/569518778.db2.gz RKXFSRBXCFERIQ-UHFFFAOYSA-N 0 0 428.561 5.430 50 30 IKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(C(C)C)c(OC)cc2C)C1=O ZINC000009295951 569520412 /nfs/dbraw/zinc/52/04/12/569520412.db2.gz GZDZPZGFBRXNME-STZFKDTASA-N 0 0 437.561 5.671 50 30 IKEARN C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000009301377 569520718 /nfs/dbraw/zinc/52/07/18/569520718.db2.gz LYFJQNSFHABRNL-AZGAKELHSA-N 0 0 430.935 6.456 50 30 IKEARN C=C(C)COc1ccc2c(C)c(CC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1C ZINC000009303856 569521080 /nfs/dbraw/zinc/52/10/80/569521080.db2.gz MHJMDDHRPOJYHR-UHFFFAOYSA-N 0 0 434.517 5.156 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312663 569521815 /nfs/dbraw/zinc/52/18/15/569521815.db2.gz VONWDIDJWONXBY-CJAUYULYSA-N 0 0 439.511 5.097 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000009319309 569522475 /nfs/dbraw/zinc/52/24/75/569522475.db2.gz XOAAHTJFEJHVDY-JAIQZWGSSA-N 0 0 439.782 5.223 50 30 IKEARN COc1ccc(-c2c(NC(=O)c3ccccc3)oc3ccc(Cl)cc3c2=O)cc1OC ZINC000009327707 569522764 /nfs/dbraw/zinc/52/27/64/569522764.db2.gz OWDYKAPMOGSBLO-UHFFFAOYSA-N 0 0 435.863 5.767 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3c[nH]c4ccccc43)C12 ZINC000009329707 569522956 /nfs/dbraw/zinc/52/29/56/569522956.db2.gz CKVDPHQYKOMKDF-SPLOXXLWSA-N 0 0 449.436 5.194 50 30 IKEARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Br)ccc1O ZINC000009335038 569523313 /nfs/dbraw/zinc/52/33/13/569523313.db2.gz LJEILYKSRQCFEX-FOKLQQMPSA-N 0 0 444.350 6.119 50 30 IKEARN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ncnc4scc(-c5ccccc5)c43)o2)cc1 ZINC000009345064 569524075 /nfs/dbraw/zinc/52/40/75/569524075.db2.gz HGUWJLILPSRAQU-RPPGKUMJSA-N 0 0 441.472 5.973 50 30 IKEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2[C@@H]1c1ccccc1 ZINC000009348037 569524364 /nfs/dbraw/zinc/52/43/64/569524364.db2.gz FMFNUCYYKLIUEQ-HSZRJFAPSA-N 0 0 448.482 5.037 50 30 IKEARN COc1ccc(-c2nc3ccccc3c(N=NC(C)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000009348438 569524455 /nfs/dbraw/zinc/52/44/55/569524455.db2.gz RVOFUNGRNDAQTH-CCVNUDIWSA-N 0 0 437.330 6.448 50 30 IKEARN COc1ccc(C=NNc2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000009354886 569525185 /nfs/dbraw/zinc/52/51/85/569525185.db2.gz ZTVRELBHROLSIO-MFKUBSTISA-N 0 0 432.321 6.119 50 30 IKEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009356897 569525489 /nfs/dbraw/zinc/52/54/89/569525489.db2.gz KIUQVNXXFIFBTF-JOCHJYFZSA-N 0 0 433.891 5.440 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000009357959 569525582 /nfs/dbraw/zinc/52/55/82/569525582.db2.gz CTGSYTYMMWJPPE-OAQYLSRUSA-N 0 0 444.487 5.527 50 30 IKEARN COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2ccccc2Cl)cc1OC ZINC000009362743 569525908 /nfs/dbraw/zinc/52/59/08/569525908.db2.gz GKRICMIIILGUKA-JXMROGBWSA-N 0 0 440.854 5.612 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl ZINC000009370728 569526783 /nfs/dbraw/zinc/52/67/83/569526783.db2.gz WLSWQWVNLFYOOH-OAQYLSRUSA-N 0 0 438.310 6.085 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000009370810 569526834 /nfs/dbraw/zinc/52/68/34/569526834.db2.gz LREHHTWOUITJQE-NRFANRHFSA-N 0 0 448.862 5.340 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000009370833 569526859 /nfs/dbraw/zinc/52/68/59/569526859.db2.gz JJOJGHBTMVKRMC-XKVZMTQCSA-N 0 0 429.903 5.831 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009374100 569527075 /nfs/dbraw/zinc/52/70/75/569527075.db2.gz NFUIYLGWKYQGAO-RBBKRZOGSA-N 0 0 439.939 5.221 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2cc(Cl)cc(Cl)c2)c1CCC(C)C ZINC000009375106 569527184 /nfs/dbraw/zinc/52/71/84/569527184.db2.gz RHQCSPPPDPFWAR-UHFFFAOYSA-N 0 0 437.374 7.307 50 30 IKEARN S=C1N=NC(c2cc(-c3ccccc3)n[nH]2)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000009375057 569527219 /nfs/dbraw/zinc/52/72/19/569527219.db2.gz UNVIJUINKSQFCK-PCLIKHOPSA-N 0 0 438.516 5.298 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000009380692 569527974 /nfs/dbraw/zinc/52/79/74/569527974.db2.gz DQABYKGBWCPQHX-LJQANCHMSA-N 0 0 428.326 5.136 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009380686 569527982 /nfs/dbraw/zinc/52/79/82/569527982.db2.gz JNEQRSUNGPWPNL-JOCHJYFZSA-N 0 0 433.891 5.440 50 30 IKEARN Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 ZINC000009419217 569532575 /nfs/dbraw/zinc/53/25/75/569532575.db2.gz JXRFANOIPHASNZ-MTJSOVHGSA-N 0 0 426.877 5.032 50 30 IKEARN CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 ZINC000009420592 569532655 /nfs/dbraw/zinc/53/26/55/569532655.db2.gz FBNASVVGMBAFSK-LBPRGKRZSA-N 0 0 427.536 5.130 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4OC)ccc3C1=O)cn2C ZINC000009422003 569532824 /nfs/dbraw/zinc/53/28/24/569532824.db2.gz XVVWITMAFLNCAT-RPPGKUMJSA-N 0 0 441.483 5.391 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 ZINC000009422406 569532847 /nfs/dbraw/zinc/53/28/47/569532847.db2.gz GQWIGWHKQSVVMS-FOKLQQMPSA-N 0 0 449.503 5.007 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1 ZINC000009421996 569532861 /nfs/dbraw/zinc/53/28/61/569532861.db2.gz DHJOABMMRLMLHC-UHFFFAOYSA-N 0 0 434.870 6.593 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c2ccccc21 ZINC000009422732 569532901 /nfs/dbraw/zinc/53/29/01/569532901.db2.gz ZGINXNMAINJUFH-MFKUBSTISA-N 0 0 437.495 6.113 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C#N)cc3)n2)cc1 ZINC000009423419 569532934 /nfs/dbraw/zinc/53/29/34/569532934.db2.gz MMFCAUSTSBJMNR-UHFFFAOYSA-N 0 0 425.435 5.812 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000009423203 569532935 /nfs/dbraw/zinc/53/29/35/569532935.db2.gz AJCHROPVPRFUPO-RPPGKUMJSA-N 0 0 443.474 6.004 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c2cc(OC)ccc21 ZINC000009423531 569532941 /nfs/dbraw/zinc/53/29/41/569532941.db2.gz DTPFJTDKDRQKOZ-DHRITJCHSA-N 0 0 445.515 5.772 50 30 IKEARN N#Cc1c(SCCCC(=O)c2ccc(F)cc2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000009423026 569532954 /nfs/dbraw/zinc/53/29/54/569532954.db2.gz WYEJHXHNXABFFA-UHFFFAOYSA-N 0 0 444.453 6.533 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21 ZINC000009423758 569533018 /nfs/dbraw/zinc/53/30/18/569533018.db2.gz QNSBUEADBQLWEJ-VULFUBBASA-N 0 0 439.511 6.173 50 30 IKEARN CC(C)Oc1ccc(-c2nc3ccccc3c(NN=Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000009428450 569533531 /nfs/dbraw/zinc/53/35/31/569533531.db2.gz HFXLDSVOLUUBDU-MFKUBSTISA-N 0 0 427.464 5.438 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000009433266 569534560 /nfs/dbraw/zinc/53/45/60/569534560.db2.gz ZPNSYCMRUOZQQI-GOTSBHOMSA-N 0 0 429.545 5.195 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009433792 569534611 /nfs/dbraw/zinc/53/46/11/569534611.db2.gz YXFZMSMIGYMCDQ-NRFANRHFSA-N 0 0 437.879 5.110 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000009433802 569534619 /nfs/dbraw/zinc/53/46/19/569534619.db2.gz FBYPDFQFWBGNMS-IBGZPJMESA-N 0 0 428.271 5.365 50 30 IKEARN COc1ccccc1NC(=O)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 ZINC000009435173 569534755 /nfs/dbraw/zinc/53/47/55/569534755.db2.gz GVYJYKGTDFXNLT-UHFFFAOYSA-N 0 0 435.574 5.300 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O ZINC000009450559 569536299 /nfs/dbraw/zinc/53/62/99/569536299.db2.gz AELSKUVTZRNISM-IZVPMIMASA-N 0 0 428.415 5.368 50 30 IKEARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 ZINC000009468670 569538684 /nfs/dbraw/zinc/53/86/84/569538684.db2.gz UNPLLBGUYFGDCX-GOSISDBHSA-N 0 0 448.573 5.158 50 30 IKEARN N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000009468680 569538702 /nfs/dbraw/zinc/53/87/02/569538702.db2.gz ZBCQLEYVTZIAQQ-UHFFFAOYSA-N 0 0 448.548 5.401 50 30 IKEARN Cc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cc2occc2n1C ZINC000009477778 569539238 /nfs/dbraw/zinc/53/92/38/569539238.db2.gz RJGCGVPOPSDERW-UHFFFAOYSA-N 0 0 425.517 5.491 50 30 IKEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2 ZINC000009486242 569539613 /nfs/dbraw/zinc/53/96/13/569539613.db2.gz MRFTVKPEYRPCTH-AFPJDJCSSA-N 0 0 438.838 5.541 50 30 IKEARN Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2S[C@H](C)C#N)c1 ZINC000009491213 569540361 /nfs/dbraw/zinc/54/03/61/569540361.db2.gz VRYWTOXDDNYXSK-CQSZACIVSA-N 0 0 433.364 5.774 50 30 IKEARN Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cs1 ZINC000009514116 569543142 /nfs/dbraw/zinc/54/31/42/569543142.db2.gz CYMUNNLMZBKRAL-UHFFFAOYSA-N 0 0 441.581 6.535 50 30 IKEARN CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000009554177 569546803 /nfs/dbraw/zinc/54/68/03/569546803.db2.gz DLXSERYFGGKXCL-VWLOTQADSA-N 0 0 426.472 5.037 50 30 IKEARN CCCC/N=C(/C=C1\SN(CCC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000009554192 569546804 /nfs/dbraw/zinc/54/68/04/569546804.db2.gz WIORRTOUMOHFKB-UJFUEMKZSA-N 0 0 444.069 6.936 50 30 IKEARN C=CCn1c(SCC(=O)c2oc3ccccc3c2C)nnc1[C@H]1COc2ccccc2O1 ZINC000009578521 569548354 /nfs/dbraw/zinc/54/83/54/569548354.db2.gz SWKGAJHBMAUKTG-OAQYLSRUSA-N 0 0 447.516 5.006 50 30 IKEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)n1 ZINC000009591118 569550147 /nfs/dbraw/zinc/55/01/47/569550147.db2.gz ZZRZQOQPKPMHSP-UHFFFAOYSA-N 0 0 437.594 5.117 50 30 IKEARN CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597321 569550882 /nfs/dbraw/zinc/55/08/82/569550882.db2.gz HQBKRZPRWVGCDG-NRFANRHFSA-N 0 0 431.967 6.493 50 30 IKEARN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597276 569550884 /nfs/dbraw/zinc/55/08/84/569550884.db2.gz ZBAISACIXZAJKW-QFIPXVFZSA-N 0 0 442.563 5.352 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@H](c3ccccc3Cl)C12 ZINC000009597401 569550910 /nfs/dbraw/zinc/55/09/10/569550910.db2.gz YJIAKZCIYDVBLB-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597340 569550917 /nfs/dbraw/zinc/55/09/17/569550917.db2.gz RRBLGNUYBZGXNA-QHCPKHFHSA-N 0 0 440.591 5.906 50 30 IKEARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3ccccc3n2)o1 ZINC000009631977 569553868 /nfs/dbraw/zinc/55/38/68/569553868.db2.gz GFGMNQIYVNUVQP-UHFFFAOYSA-N 0 0 445.862 5.124 50 30 IKEARN COc1ccc(C(=O)/C(=C\c2cccc(Br)c2)c2nc3ccccc3o2)cc1 ZINC000009637451 569554772 /nfs/dbraw/zinc/55/47/72/569554772.db2.gz BCUUUDAXHAYMIM-XMHGGMMESA-N 0 0 434.289 6.022 50 30 IKEARN Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(Cl)ccc4C#N)c23)cc1 ZINC000009703890 569561414 /nfs/dbraw/zinc/56/14/14/569561414.db2.gz ZQVLFTXUGKNOPX-UHFFFAOYSA-N 0 0 434.908 5.209 50 30 IKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC/N=C/c1cc(Br)ccc1O ZINC000009721048 569563312 /nfs/dbraw/zinc/56/33/12/569563312.db2.gz RHYWPDNDTWTBMW-LSHDLFTRSA-N 0 0 446.223 5.003 50 30 IKEARN C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1ccccc1C#N ZINC000009729571 569564304 /nfs/dbraw/zinc/56/43/04/569564304.db2.gz BITMMWGSGPGUGX-CYBMUJFWSA-N 0 0 436.587 5.858 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CSc1ncnc3sc(-c4ccccc4)cc31)CCC2 ZINC000009730142 569564329 /nfs/dbraw/zinc/56/43/29/569564329.db2.gz SWCCYIFPSJTTJM-UHFFFAOYSA-N 0 0 448.598 5.511 50 30 IKEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)cc1 ZINC000009731848 569564769 /nfs/dbraw/zinc/56/47/69/569564769.db2.gz NJAVUQHUCUXTIU-QFIPXVFZSA-N 0 0 448.954 5.655 50 30 IKEARN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 ZINC000009762996 569566601 /nfs/dbraw/zinc/56/66/01/569566601.db2.gz AEJVMBCAVVQZNI-YZSQISJMSA-N 0 0 447.560 5.907 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009779444 569567367 /nfs/dbraw/zinc/56/73/67/569567367.db2.gz FQFPHGIEPQTZQF-RBISFHTESA-N 0 0 436.555 6.243 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009779440 569567387 /nfs/dbraw/zinc/56/73/87/569567387.db2.gz FQFPHGIEPQTZQF-DWACAAAGSA-N 0 0 436.555 6.243 50 30 IKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000009805650 569568733 /nfs/dbraw/zinc/56/87/33/569568733.db2.gz NFDZXXPGUOQRCV-UHFFFAOYSA-N 0 0 431.315 5.094 50 30 IKEARN CC(C)c1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc3c2CCCC3)cc1 ZINC000009805542 569568755 /nfs/dbraw/zinc/56/87/55/569568755.db2.gz CDCKDRWKHGJVQE-UHFFFAOYSA-N 0 0 441.600 6.353 50 30 IKEARN Fc1ccc(Cn2cc(CN=Nc3c(F)c(F)c(F)c(F)c3F)c3ccccc32)cc1 ZINC000009805730 569568788 /nfs/dbraw/zinc/56/87/88/569568788.db2.gz KDDUXPHPIVFDND-JNNAGZRYSA-N 0 0 433.355 5.970 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(SC)c2)c1 ZINC000009822649 569569539 /nfs/dbraw/zinc/56/95/39/569569539.db2.gz VXZWSQSGKXWGPY-UHFFFAOYSA-N 0 0 438.574 5.042 50 30 IKEARN CCOC(=O)c1c(/N=C\c2cc(Br)cc(OC)c2O)sc2c1CCCC2 ZINC000009846991 569571054 /nfs/dbraw/zinc/57/10/54/569571054.db2.gz FPBONRSHIXGXQJ-FBHDLOMBSA-N 0 0 438.343 5.031 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861341 569571980 /nfs/dbraw/zinc/57/19/80/569571980.db2.gz VMKGWHZLRLLONO-DEOSSOPVSA-N 0 0 443.374 6.691 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000009861344 569572000 /nfs/dbraw/zinc/57/20/00/569572000.db2.gz YRYPSTAXPBKBDQ-XMMPIXPASA-N 0 0 443.374 6.691 50 30 IKEARN N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1 ZINC000009892608 569573037 /nfs/dbraw/zinc/57/30/37/569573037.db2.gz IOTOIZHVAMYJOC-GRSHGNNSSA-N 0 0 438.270 5.218 50 30 IKEARN CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)C[C@H](C)CC3)cc1 ZINC000009907657 569573175 /nfs/dbraw/zinc/57/31/75/569573175.db2.gz CYZPROLUPJYXBY-AKBIMGJMSA-N 0 0 448.588 6.283 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C ZINC000009953286 569574718 /nfs/dbraw/zinc/57/47/18/569574718.db2.gz BESNSNGNYOEGRB-UHFFFAOYSA-N 0 0 446.576 5.474 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000009993308 569576968 /nfs/dbraw/zinc/57/69/68/569576968.db2.gz SDEWEGVSYLVQCF-FQEVSTJZSA-N 0 0 446.915 5.733 50 30 IKEARN N#Cc1c(SC[S@](=O)Cc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000009993103 569576975 /nfs/dbraw/zinc/57/69/75/569576975.db2.gz ZNWZQLDLWBXZEE-PMERELPUSA-N 0 0 446.622 6.347 50 30 IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000010013553 569577059 /nfs/dbraw/zinc/57/70/59/569577059.db2.gz YLLVITODJAWYSI-VWLOTQADSA-N 0 0 447.554 5.279 50 30 IKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013759 569577096 /nfs/dbraw/zinc/57/70/96/569577096.db2.gz WYWCKUXRFSLLDC-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN CC(C)(C)c1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000010034842 569577370 /nfs/dbraw/zinc/57/73/70/569577370.db2.gz ZBNYZBUCDIEYLZ-UHFFFAOYSA-N 0 0 429.541 6.047 50 30 IKEARN N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Br)cc3s2)cc1 ZINC000010187644 569578665 /nfs/dbraw/zinc/57/86/65/569578665.db2.gz UQUYZKBIUWVJOB-UHFFFAOYSA-N 0 0 449.333 5.172 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc2ccccc2o1 ZINC000010229262 569579312 /nfs/dbraw/zinc/57/93/12/569579312.db2.gz NVGZZYXDNPWVBP-UHFFFAOYSA-N 0 0 444.438 5.025 50 30 IKEARN C=CCn1c(SCC(=O)NC[C@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000010240197 569579717 /nfs/dbraw/zinc/57/97/17/569579717.db2.gz MZLNVSXRVNLUKL-KRWDZBQOSA-N 0 0 441.000 5.187 50 30 IKEARN C=CCOc1ccc2c(c1)C(=NN=c1[nH]c3ccccc3s1)c1cc(OCC=C)ccc1-2 ZINC000020615555 569582877 /nfs/dbraw/zinc/58/28/77/569582877.db2.gz HFJNYWPHKLIBQQ-UHFFFAOYSA-N 0 0 439.540 6.271 50 30 IKEARN Cc1c(C=NN=c2[nH]c3ccccc3s2)c2cc(C)ccc2n1CCOc1ccccc1 ZINC000001861045 569583075 /nfs/dbraw/zinc/58/30/75/569583075.db2.gz CQFVMJFYEKIOFV-WPWMEQJKSA-N 0 0 440.572 6.393 50 30 IKEARN O=C(Nc1sc(N=NCc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1)c1cccs1 ZINC000008867528 569583975 /nfs/dbraw/zinc/58/39/75/569583975.db2.gz AIYSKVAHEGAKBE-LPYMAVHISA-N 0 0 449.517 5.478 50 30 IKEARN Cc1ccc(C(=O)CC(N=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(F)(F)F)cc1 ZINC000016949159 569584110 /nfs/dbraw/zinc/58/41/10/569584110.db2.gz PKLZNQISYWIZIV-BWAHOGKJSA-N 0 0 448.426 5.630 50 30 IKEARN COc1cc(C=NNc2nc3ccccc3s2)cc(OC)c1OCCOc1ccccc1 ZINC000008952458 569584164 /nfs/dbraw/zinc/58/41/64/569584164.db2.gz KJKSTWALRSJEDE-PCLIKHOPSA-N 0 0 449.532 5.217 50 30 IKEARN Cc1ccccc1OCCCn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000001849961 569584575 /nfs/dbraw/zinc/58/45/75/569584575.db2.gz UMDKFHHMWCZKTR-WPWMEQJKSA-N 0 0 440.572 6.475 50 30 IKEARN C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 ZINC000004556741 569587509 /nfs/dbraw/zinc/58/75/09/569587509.db2.gz MQYXUWHLBZFQQO-CKEBZWMRSA-N 0 0 426.729 8.025 50 30 IKEARN O=C1C=CC=C/C1=C/C=c1ccc(=C2C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1 ZINC000409415902 569588115 /nfs/dbraw/zinc/58/81/15/569588115.db2.gz OKJYKDQIGPYCKE-XXGYMJRSSA-N 0 0 426.515 5.352 50 30 IKEARN O=C1C=CC(=CC=c2ccc(=C3C=C(c4ccccc4)C=C(c4ccccc4)O3)cc2)C=C1 ZINC000409415890 569588140 /nfs/dbraw/zinc/58/81/40/569588140.db2.gz GRCMPWDXDVUTIZ-UHFFFAOYSA-N 0 0 426.515 5.352 50 30 IKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000100061149 569588148 /nfs/dbraw/zinc/58/81/48/569588148.db2.gz SRINSKRTFYOAQP-UHFFFAOYSA-N 0 0 438.678 6.405 50 30 IKEARN CCCCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCC ZINC000100924675 569588149 /nfs/dbraw/zinc/58/81/49/569588149.db2.gz FFWOOWBZYXDIJQ-UHFFFAOYSA-N 0 0 438.741 7.451 50 30 IKEARN CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000008214693 574412763 /nfs/dbraw/zinc/41/27/63/574412763.db2.gz LTVDFSLWFKLJDQ-IEOSBIPESA-N 0 0 446.716 7.761 50 30 endogenous,investigational IKEARN C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000013448389 252327743 /nfs/dbraw/zinc/32/77/43/252327743.db2.gz AIIXYCDTEGICEE-HZVAOYAWSA-N 0 0 439.603 5.204 50 30 in-vitro IKEARN N#Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)c(F)c1 ZINC000033307424 122796814 /nfs/dbraw/zinc/79/68/14/122796814.db2.gz UOCKBPIFHXQMJQ-UHFFFAOYSA-N 0 0 448.841 5.232 50 30 IKEARN COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)S/C2=N/c2ccccc2)cc1 ZINC000100236800 123470358 /nfs/dbraw/zinc/47/03/58/123470358.db2.gz BONVVIFJTJKCFX-IVCURSBOSA-N 0 0 446.597 6.221 50 30 IKEARN CCOC(=O)[C@@H](CC)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000006134578 193880461 /nfs/dbraw/zinc/88/04/61/193880461.db2.gz JJVQOPITPCPTBY-HSZRJFAPSA-N 0 0 432.545 5.730 50 30 IKEARN Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000000985526 132236781 /nfs/dbraw/zinc/23/67/81/132236781.db2.gz GZPBSMPILJHKDP-UHFFFAOYSA-N 0 0 443.591 5.619 50 30 IKEARN N#Cc1c2c(c(NC3CCCCC3)nc1N1CCCCC1)CN(Cc1ccccc1)CC2 ZINC000006229279 132276685 /nfs/dbraw/zinc/27/66/85/132276685.db2.gz NSNPCYRQQKEXFP-UHFFFAOYSA-N 0 0 429.612 5.246 50 30 IKEARN N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Br)cc1 ZINC000013110617 132344662 /nfs/dbraw/zinc/34/46/62/132344662.db2.gz DLNWBXZXKHTZMW-UHFFFAOYSA-N 0 0 440.322 5.509 50 30 aggregator IKEARN CCCCCCCNC(CC)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100171813 517555774 /nfs/dbraw/zinc/55/57/74/517555774.db2.gz IUGPJQFYFLHJNY-SAPNQHFASA-N 0 0 438.519 5.785 50 30 IKEARN O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000096767457 518198000 /nfs/dbraw/zinc/19/80/00/518198000.db2.gz ASEVCKUUHATXDL-VURMDHGXSA-N 0 0 429.404 5.034 50 30 IKEARN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)CCC/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000027469486 518202332 /nfs/dbraw/zinc/20/23/32/518202332.db2.gz MXKYVDMQCYMRGK-WECXDZCISA-N 0 0 426.559 8.241 50 30 IKEARN Brc1ccc(-c2nc(N=NCc3cccnc3)cc(-c3ccccc3)n2)cc1 ZINC000013452429 518208069 /nfs/dbraw/zinc/20/80/69/518208069.db2.gz RPBNQSJCACXPMD-MFKUBSTISA-N 0 0 430.309 5.414 50 30 IKEARN C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1cccc(F)c1)C2 ZINC000012449885 518251964 /nfs/dbraw/zinc/25/19/64/518251964.db2.gz ZHKFDHYWKCMMAW-UHFFFAOYSA-N 0 0 435.520 5.300 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1OCC ZINC000009907461 518317682 /nfs/dbraw/zinc/31/76/82/518317682.db2.gz JLJBDKOIWVARKS-MOSHPQCFSA-N 0 0 440.952 5.259 50 30 IKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC ZINC000046076273 518326243 /nfs/dbraw/zinc/32/62/43/518326243.db2.gz BXYFSIPWMQVGEK-IBGZPJMESA-N 0 0 433.529 5.309 50 30 IKEARN CC(=O)c1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1 ZINC000012599752 518342146 /nfs/dbraw/zinc/34/21/46/518342146.db2.gz COYVJUFRNUNGCD-UHFFFAOYSA-N 0 0 427.485 5.114 50 30 IKEARN CC(N=Nc1nc(-c2ccccc2F)nc2ccccc21)c1ccc(Br)cc1 ZINC000009171398 518454126 /nfs/dbraw/zinc/45/41/26/518454126.db2.gz DSZIDZAQTISCFC-VYYCAZPPSA-N 0 0 435.300 6.035 50 30 IKEARN C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C ZINC000035843480 518457626 /nfs/dbraw/zinc/45/76/26/518457626.db2.gz YGLPOLQVSWXJMA-FSGOGVSDSA-N 0 0 446.953 7.494 50 30 IKEARN C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C ZINC000035843427 518457987 /nfs/dbraw/zinc/45/79/87/518457987.db2.gz REUBHAULPPQTJO-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000012362241 518459011 /nfs/dbraw/zinc/45/90/11/518459011.db2.gz MZWMSJYEFDKGQE-FXZATJRASA-N 0 0 438.358 5.761 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000035238175 518459325 /nfs/dbraw/zinc/45/93/25/518459325.db2.gz BKLPEKOJKKUVLX-FXZATJRASA-N 0 0 438.358 5.761 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000012342948 518459959 /nfs/dbraw/zinc/45/99/59/518459959.db2.gz ZPMUQRJHSHASDR-FXZATJRASA-N 0 0 438.358 5.761 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)c1ccc(F)cc1 ZINC000013756757 518467016 /nfs/dbraw/zinc/46/70/16/518467016.db2.gz OGWBNZDYTZHJLE-XODNFHPESA-N 0 0 425.294 6.579 50 30 IKEARN C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000013564404 518585627 /nfs/dbraw/zinc/58/56/27/518585627.db2.gz FYGNZWIUSAWRQA-KAYWLYCHSA-N 0 0 439.555 5.041 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 ZINC000002252229 518625152 /nfs/dbraw/zinc/62/51/52/518625152.db2.gz JCQFDSHQQLOBFC-SFHVURJKSA-N 0 0 426.607 5.521 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001243899 518625315 /nfs/dbraw/zinc/62/53/15/518625315.db2.gz OMXRYZCXEOMXIB-SFHVURJKSA-N 0 0 426.607 5.521 50 30 IKEARN C=C(C)CSc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1 ZINC000012872201 518626591 /nfs/dbraw/zinc/62/65/91/518626591.db2.gz PMAYXGWAJWGKOJ-LJQANCHMSA-N 0 0 441.647 6.295 50 30 IKEARN C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccccc1Cl ZINC000013734392 518636776 /nfs/dbraw/zinc/63/67/76/518636776.db2.gz NZFZCDRKSHXHKB-HSZRJFAPSA-N 0 0 440.996 6.848 50 30 IKEARN C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000038253914 518657384 /nfs/dbraw/zinc/65/73/84/518657384.db2.gz ZGLHBRQAEXKACO-UCVPIVEQSA-N 0 0 428.657 5.727 50 30 IKEARN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 ZINC000004648758 518664604 /nfs/dbraw/zinc/66/46/04/518664604.db2.gz YRGLKFYABDJLHS-STWLZBDKSA-N 0 0 426.626 7.026 50 30 IKEARN C=C1S/C(=N\c2c(C)cc(C)cc2C)N(C(=O)c2c(F)cccc2F)C12CCCCC2 ZINC000012339015 518666949 /nfs/dbraw/zinc/66/69/49/518666949.db2.gz GXVJCLPNPNYRIQ-COOPMVRXSA-N 0 0 440.559 6.983 50 30 IKEARN C=CCC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346151 518715575 /nfs/dbraw/zinc/71/55/75/518715575.db2.gz GJUPBECMBSSCDT-XMMPIXPASA-N 0 0 449.595 5.057 50 30 IKEARN C=CCC[C@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302904 518722677 /nfs/dbraw/zinc/72/26/77/518722677.db2.gz UABWIEOZAYPQEW-QHCPKHFHSA-N 0 0 449.595 5.003 50 30 IKEARN C=CCN(C(=O)CSc1nc(C)cc(C)n1)c1nc(-c2c[nH]c3ccccc32)cs1 ZINC000066409968 518733297 /nfs/dbraw/zinc/73/32/97/518733297.db2.gz LGKUXTOTQMQPOV-UHFFFAOYSA-N 0 0 435.578 5.010 50 30 IKEARN C=CCN(C(=O)c1cc(-c2ccccc2F)nc2onc(C)c21)c1nc2c(s1)CCCC2 ZINC000022239288 518737008 /nfs/dbraw/zinc/73/70/08/518737008.db2.gz HYFBEXATCIVFTG-UHFFFAOYSA-N 0 0 448.523 5.505 50 30 IKEARN C=CCN(C(=O)c1cc(-c2cccs2)nc2onc(C)c21)c1nc2c(s1)CCCC2 ZINC000021382532 518737498 /nfs/dbraw/zinc/73/74/98/518737498.db2.gz CTVBDONORVIBII-UHFFFAOYSA-N 0 0 436.562 5.428 50 30 IKEARN C=CCN(C(=O)c1cc(-c2cccs2)nc2ccccc21)c1nc(C(=O)OCC)cs1 ZINC000058026812 518737531 /nfs/dbraw/zinc/73/75/31/518737531.db2.gz PJEAMCRVTKLRHW-UHFFFAOYSA-N 0 0 449.557 5.429 50 30 IKEARN C=CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000040052352 518737761 /nfs/dbraw/zinc/73/77/61/518737761.db2.gz DTPFSVDNMFLQLE-UHFFFAOYSA-N 0 0 443.576 5.422 50 30 IKEARN C=CCN(C(=O)c1cccc(I)c1)c1nc(-c2ccccc2)cs1 ZINC000012531859 518739550 /nfs/dbraw/zinc/73/95/50/518739550.db2.gz MEURTXNNFBTFBR-UHFFFAOYSA-N 0 0 446.313 5.248 50 30 IKEARN C=CCN(C(=O)c1ccccc1Oc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003326829 518740603 /nfs/dbraw/zinc/74/06/03/518740603.db2.gz YOYNIGOGQAHALO-UHFFFAOYSA-N 0 0 446.959 7.089 50 30 IKEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)ccc1F ZINC000035844946 518744762 /nfs/dbraw/zinc/74/47/62/518744762.db2.gz DXKGUBAPCZMGBL-UHFFFAOYSA-N 0 0 438.518 5.126 50 30 IKEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(OC)cc1 ZINC000036105142 518796194 /nfs/dbraw/zinc/79/61/94/518796194.db2.gz LZOAYXPPAJRDBR-UHFFFAOYSA-N 0 0 436.577 5.683 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(C)c2)SC1=S ZINC000013898160 518828103 /nfs/dbraw/zinc/82/81/03/518828103.db2.gz CWURBLNKVQJTKZ-PGMHBOJBSA-N 0 0 425.575 5.230 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)SC1=S ZINC000022276015 518828956 /nfs/dbraw/zinc/82/89/56/518828956.db2.gz BWKLKVGQCGZEIL-PDGQHHTCSA-N 0 0 446.391 5.415 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2cc(C)ccc2C)SC1=S ZINC000022228884 518829015 /nfs/dbraw/zinc/82/90/15/518829015.db2.gz JRCYODOUPOAFTO-QNGOZBTKSA-N 0 0 425.575 5.148 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S ZINC000012343661 518831435 /nfs/dbraw/zinc/83/14/35/518831435.db2.gz LRZHHYIZOMOTIQ-WOJGMQOQSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000015011418 518832773 /nfs/dbraw/zinc/83/27/73/518832773.db2.gz LYKINMVFZJTLDV-VCHYOVAHSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S ZINC000002070416 518833738 /nfs/dbraw/zinc/83/37/38/518833738.db2.gz WMGSTBDVSJYDJA-DEDYPNTBSA-N 0 0 445.993 5.705 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000013600871 518834276 /nfs/dbraw/zinc/83/42/76/518834276.db2.gz KJZCEIBBKCYJNY-VCHYOVAHSA-N 0 0 436.385 5.960 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/c1ccccc1C ZINC000105003895 518842776 /nfs/dbraw/zinc/84/27/76/518842776.db2.gz ADNVSXDVQBDWNQ-SZTNPAGBSA-N 0 0 448.375 5.448 50 30 IKEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000033399271 518847824 /nfs/dbraw/zinc/84/78/24/518847824.db2.gz VTVZBJAINPBAPU-LPSQUVOTSA-N 0 0 449.963 5.663 50 30 IKEARN C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1 ZINC000037600584 518903098 /nfs/dbraw/zinc/90/30/98/518903098.db2.gz WVBQQFCEASNVRN-UHFFFAOYSA-N 0 0 435.474 5.048 50 30 IKEARN C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000037600793 518903714 /nfs/dbraw/zinc/90/37/14/518903714.db2.gz WRFOTTVMVDAMPF-FQEVSTJZSA-N 0 0 445.538 5.148 50 30 IKEARN C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000040487522 518949291 /nfs/dbraw/zinc/94/92/91/518949291.db2.gz KUDIFHJEAAEZSH-DCRJLOPRSA-N 0 0 447.604 5.361 50 30 IKEARN C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000040487523 518949508 /nfs/dbraw/zinc/94/95/08/518949508.db2.gz KUDIFHJEAAEZSH-ZTSHFWPMSA-N 0 0 447.604 5.361 50 30 IKEARN C=CCNc1nc(C(=O)OCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cs1 ZINC000013095562 518963338 /nfs/dbraw/zinc/96/33/38/518963338.db2.gz OKDXBBAZADOXIN-UHFFFAOYSA-N 0 0 428.504 5.788 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000037577360 518969108 /nfs/dbraw/zinc/96/91/08/518969108.db2.gz DTKAPPZHIJKIGF-OAQYLSRUSA-N 0 0 443.465 5.533 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@@H]1c1ccc(F)cc1F ZINC000037577376 518969127 /nfs/dbraw/zinc/96/91/27/518969127.db2.gz BVZHUFBFXXQNAO-LJQANCHMSA-N 0 0 431.866 5.138 50 30 IKEARN CC(C)(C)c1cc(C2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O ZINC000008694289 518996417 /nfs/dbraw/zinc/99/64/17/518996417.db2.gz BHBOAGQBSZOFPQ-UHFFFAOYSA-N 0 0 447.575 5.110 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000001825950 519014869 /nfs/dbraw/zinc/01/48/69/519014869.db2.gz JDKYJLKYIKZOPF-GZTJUZNOSA-N 0 0 432.364 5.420 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000001825951 519017127 /nfs/dbraw/zinc/01/71/27/519017127.db2.gz JDKYJLKYIKZOPF-BOPFTXTBSA-N 0 0 432.364 5.420 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009512372 519023809 /nfs/dbraw/zinc/02/38/09/519023809.db2.gz BHJIBJSFOXOHQP-QFIPXVFZSA-N 0 0 449.890 5.276 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000009042475 519028285 /nfs/dbraw/zinc/02/82/85/519028285.db2.gz GWNCCVGLRPMTRM-XTEPFMGCSA-N 0 0 440.543 6.281 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000013551467 519029013 /nfs/dbraw/zinc/02/90/13/519029013.db2.gz FNUUFYIDPPKJOL-UKILVPOCSA-N 0 0 445.450 5.541 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000009215965 519029029 /nfs/dbraw/zinc/02/90/29/519029029.db2.gz TXIIIWIVKKBGTQ-AHKZPQOWSA-N 0 0 426.516 5.892 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000012194198 519030116 /nfs/dbraw/zinc/03/01/16/519030116.db2.gz TXIIIWIVKKBGTQ-VPUSJEBWSA-N 0 0 426.516 5.892 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000013551372 519030413 /nfs/dbraw/zinc/03/04/13/519030413.db2.gz WPFQZLCDZWOGCW-AOYPEHQESA-N 0 0 430.935 6.456 50 30 IKEARN C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000020892390 519045764 /nfs/dbraw/zinc/04/57/64/519045764.db2.gz WPCHVZGVYJGXNQ-NRFANRHFSA-N 0 0 425.941 5.174 50 30 IKEARN C=CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271542 519062565 /nfs/dbraw/zinc/06/25/65/519062565.db2.gz GUTXDTFTBAZCKA-GOSISDBHSA-N 0 0 430.533 5.138 50 30 IKEARN C=CCOc1ccccc1CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000055042479 519070206 /nfs/dbraw/zinc/07/02/06/519070206.db2.gz JTYCFGZJWAEJBI-UHFFFAOYSA-N 0 0 444.556 5.628 50 30 IKEARN C=CCOc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(C)nc12 ZINC000035911408 519074844 /nfs/dbraw/zinc/07/48/44/519074844.db2.gz IOHDGFJJRZVAOD-UHFFFAOYSA-N 0 0 441.318 5.036 50 30 IKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002066643 519080850 /nfs/dbraw/zinc/08/08/50/519080850.db2.gz WGVBVZVEBONNDD-UHFFFAOYSA-N 0 0 428.601 5.995 50 30 IKEARN C=CCSc1nc2c(sc3nc(C)cc(C)c32)c(Sc2ccc(Cl)cc2)n1 ZINC000012954153 519081903 /nfs/dbraw/zinc/08/19/03/519081903.db2.gz FVIACXOQDVDYEP-UHFFFAOYSA-N 0 0 430.023 6.939 50 30 IKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088270 519083333 /nfs/dbraw/zinc/08/33/33/519083333.db2.gz BGPNJDCZMPNWTC-UHFFFAOYSA-N 0 0 437.309 6.181 50 30 IKEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)s1 ZINC000012402393 519085412 /nfs/dbraw/zinc/08/54/12/519085412.db2.gz RMTQCMXQADRKFZ-LBPRGKRZSA-N 0 0 431.608 5.041 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3Cl)o1)Nc1ccccc1-2 ZINC000002978114 519093180 /nfs/dbraw/zinc/09/31/80/519093180.db2.gz HEQHHRVJMDBPHM-OAQYLSRUSA-N 0 0 448.935 6.233 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1Br)Nc1ccccc1-2 ZINC000003000499 519093311 /nfs/dbraw/zinc/09/33/11/519093311.db2.gz ZEVNDSJYXKRMDC-QGZVFWFLSA-N 0 0 427.327 5.082 50 30 IKEARN C=CCc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc(OCC)c1O ZINC000033349575 519123798 /nfs/dbraw/zinc/12/37/98/519123798.db2.gz SNMGRZFHHGGUDW-XDHOZWIPSA-N 0 0 428.941 5.373 50 30 IKEARN C=CCc1ccc(OCCOCCOc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 ZINC000015823299 519137996 /nfs/dbraw/zinc/13/79/96/519137996.db2.gz BDFBZYOSICLLIH-UHFFFAOYSA-N 0 0 432.516 5.129 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N/c1ccc(OCC)cc1 ZINC000015685073 519150290 /nfs/dbraw/zinc/15/02/90/519150290.db2.gz PIWVVAJPRBWCKN-OCEACIFDSA-N 0 0 445.544 5.879 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)c1ccccc1 ZINC000001801754 519154102 /nfs/dbraw/zinc/15/41/02/519154102.db2.gz HLWRCFBRSRDIEY-UHFFFAOYSA-N 0 0 436.533 5.425 50 30 IKEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1ccc2c(c1)OCO2 ZINC000001895931 519159010 /nfs/dbraw/zinc/15/90/10/519159010.db2.gz XJNUASUYJOAACV-UHFFFAOYSA-N 0 0 434.542 5.332 50 30 IKEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000012624411 519160555 /nfs/dbraw/zinc/16/05/55/519160555.db2.gz DOLVGDAVMRQYMG-UHFFFAOYSA-N 0 0 439.625 5.169 50 30 IKEARN C=CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)Nc1ccccc1 ZINC000013353304 519162505 /nfs/dbraw/zinc/16/25/05/519162505.db2.gz LKOMPSIUWKNFCV-UHFFFAOYSA-N 0 0 433.558 5.042 50 30 IKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)c1ccccc1 ZINC000002662591 519188200 /nfs/dbraw/zinc/18/82/00/519188200.db2.gz DIGBBIPABCKIHT-UHFFFAOYSA-N 0 0 441.556 5.685 50 30 IKEARN C=CCn1c(COc2ccccc2)nn(C2c3ccccc3Oc3ccccc32)c1=S ZINC000012363679 519188755 /nfs/dbraw/zinc/18/87/55/519188755.db2.gz OUPXVOWCYFSCQC-UHFFFAOYSA-N 0 0 427.529 5.922 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000012788176 519189882 /nfs/dbraw/zinc/18/98/82/519189882.db2.gz KQWLXFUCIGLKKH-AWEZNQCLSA-N 0 0 431.920 5.199 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000012787634 519190357 /nfs/dbraw/zinc/19/03/57/519190357.db2.gz FWFBRGGABFSMJI-KRWDZBQOSA-N 0 0 425.529 5.163 50 30 IKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000010324103 519194230 /nfs/dbraw/zinc/19/42/30/519194230.db2.gz AMXHCELLPXOGKH-UHFFFAOYSA-N 0 0 439.393 5.154 50 30 IKEARN C=CCN1C(=S)N=NC1c1sc(NC(=O)CCc2ccc(C(C)(C)C)cc2)nc1C ZINC000012946912 519197382 /nfs/dbraw/zinc/19/73/82/519197382.db2.gz KERBVGYGYYZZCF-UHFFFAOYSA-N 0 0 441.626 5.054 50 30 IKEARN C=CCn1c(SCC(=O)N[C@H](C)CCC)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012801959 519208769 /nfs/dbraw/zinc/20/87/69/519208769.db2.gz PIKANEIOZXDDNR-OAHLLOKOSA-N 0 0 441.622 5.016 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 ZINC000002367518 519212800 /nfs/dbraw/zinc/21/28/00/519212800.db2.gz RFZKYGTVIULPJN-UHFFFAOYSA-N 0 0 425.366 5.230 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002624279 519214630 /nfs/dbraw/zinc/21/46/30/519214630.db2.gz JCISEBAPAZWYLC-UHFFFAOYSA-N 0 0 448.592 5.362 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009307596 519215870 /nfs/dbraw/zinc/21/58/70/519215870.db2.gz KWXFXNXTVOBFAC-UHFFFAOYSA-N 0 0 434.609 5.722 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1Cl ZINC000002442146 519222341 /nfs/dbraw/zinc/22/23/41/519222341.db2.gz FBCSWWUHTDIKFO-UHFFFAOYSA-N 0 0 434.952 5.669 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccc(Cl)cc1 ZINC000013097446 519230477 /nfs/dbraw/zinc/23/04/77/519230477.db2.gz OPMIAXZDHAPMHH-UHFFFAOYSA-N 0 0 426.973 5.513 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1Cl ZINC000028250817 519231223 /nfs/dbraw/zinc/23/12/23/519231223.db2.gz AISYSBPSUGQEII-UHFFFAOYSA-N 0 0 448.773 5.522 50 30 IKEARN C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 ZINC000012905231 519236989 /nfs/dbraw/zinc/23/69/89/519236989.db2.gz IGGULAUGFAXPRM-UHFFFAOYSA-N 0 0 431.817 5.772 50 30 IKEARN C=CCn1c(SCc2cc(Br)ccc2F)nnc1-c1ccccc1OC ZINC000072042179 519237626 /nfs/dbraw/zinc/23/76/26/519237626.db2.gz PYKLOZFTGDPIEF-UHFFFAOYSA-N 0 0 434.334 5.334 50 30 IKEARN C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccc(Cl)cc1 ZINC000009632601 519237827 /nfs/dbraw/zinc/23/78/27/519237827.db2.gz XRLURZCWJZAZFN-UHFFFAOYSA-N 0 0 437.952 5.800 50 30 IKEARN C=CCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1-c1ccco1 ZINC000037397726 519238986 /nfs/dbraw/zinc/23/89/86/519238986.db2.gz XSUJBKUSYXXFSN-UHFFFAOYSA-N 0 0 448.523 5.086 50 30 IKEARN C=CCn1c(SCc2ccc(C(=O)N[C@H](C)CC)cc2)nnc1-c1ccccc1Cl ZINC000037398172 519239086 /nfs/dbraw/zinc/23/90/86/519239086.db2.gz CQIRTIWPQCPQCF-MRXNPFEDSA-N 0 0 441.000 5.605 50 30 IKEARN C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cc(OC)cc(OC)c1 ZINC000035847670 519240931 /nfs/dbraw/zinc/24/09/31/519240931.db2.gz UIUTUVUEOXAWAM-UHFFFAOYSA-N 0 0 435.471 5.459 50 30 IKEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1sc2ccccc2c1Cl ZINC000001802973 519242438 /nfs/dbraw/zinc/24/24/38/519242438.db2.gz CJRRIUZCZDEQMR-UHFFFAOYSA-N 0 0 442.953 6.200 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@H]1COc2ccccc2O1 ZINC000003288831 519245568 /nfs/dbraw/zinc/24/55/68/519245568.db2.gz SVEMUGQVYOCDBN-HXUWFJFHSA-N 0 0 448.573 5.392 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000019647797 519245743 /nfs/dbraw/zinc/24/57/43/519245743.db2.gz XWUWLDRWYJTVKT-UHFFFAOYSA-N 0 0 448.573 5.584 50 30 IKEARN C=CCn1c(SCc2csc(Nc3ccc(OC)cc3)n2)nc2sccc2c1=O ZINC000012549419 519246570 /nfs/dbraw/zinc/24/65/70/519246570.db2.gz ITXONRPZUUNSOS-UHFFFAOYSA-N 0 0 442.591 5.145 50 30 IKEARN C=CCn1c(SCc2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O ZINC000012905582 519247281 /nfs/dbraw/zinc/24/72/81/519247281.db2.gz YXBGYEZOGRKMOU-UHFFFAOYSA-N 0 0 430.580 5.171 50 30 IKEARN C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccc(F)cc1 ZINC000008862443 519247481 /nfs/dbraw/zinc/24/74/81/519247481.db2.gz QYHNBFMIHUDJOD-UHFFFAOYSA-N 0 0 427.892 5.266 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccccc1OC ZINC000009465552 519258094 /nfs/dbraw/zinc/25/80/94/519258094.db2.gz SBHISCJGSCUUHI-MRXNPFEDSA-N 0 0 432.549 5.293 50 30 IKEARN C=CCn1c(Sc2nnc(C)c(C)c2C#N)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012904213 519259441 /nfs/dbraw/zinc/25/94/41/519259441.db2.gz DPPILZCSACQIER-UHFFFAOYSA-N 0 0 445.573 5.049 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc4c(cc3OCC)C[C@H](C)O4)c12 ZINC000012681237 519265379 /nfs/dbraw/zinc/26/53/79/519265379.db2.gz NQHLJROAYVULNT-FLVLSHQESA-N 0 0 441.531 5.402 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OCC)c3OCCC)c12 ZINC000012676000 519267686 /nfs/dbraw/zinc/26/76/86/519267686.db2.gz FVQFRCHFCGKOII-FOCLMDBBSA-N 0 0 443.547 5.867 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(OC)c(OCC)c3)c12 ZINC000096925856 519268074 /nfs/dbraw/zinc/26/80/74/519268074.db2.gz NTSBTSRKQZNXBO-QXMHVHEDSA-N 0 0 449.938 5.740 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OCC)c3OCCC)c12 ZINC000096925860 519268128 /nfs/dbraw/zinc/26/81/28/519268128.db2.gz FVQFRCHFCGKOII-NXVVXOECSA-N 0 0 443.547 5.867 50 30 IKEARN CC(=O)/C(=N/Nc1ccccc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000100935562 519352867 /nfs/dbraw/zinc/35/28/67/519352867.db2.gz RTXDBIBQHCWTIW-COOPMVRXSA-N 0 0 441.560 5.159 50 30 IKEARN CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019489314 519365934 /nfs/dbraw/zinc/36/59/34/519365934.db2.gz FOUPCSKNFATMEY-RTBURBONSA-N 0 0 430.162 6.096 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1)c1c(C)cccc1C ZINC000012980725 519473964 /nfs/dbraw/zinc/47/39/64/519473964.db2.gz UXKROIWEFVVRFK-CSKARUKUSA-N 0 0 445.371 6.647 50 30 IKEARN CC(=O)N(c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1)c1cccc(C)c1C ZINC000013021802 519474930 /nfs/dbraw/zinc/47/49/30/519474930.db2.gz PNTAYGHCAUIKAC-GZTJUZNOSA-N 0 0 436.508 5.632 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000012381905 519477662 /nfs/dbraw/zinc/47/76/62/519477662.db2.gz QMJDXUNAWVEDGN-SIBVEZHUSA-N 0 0 426.516 5.836 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257349272 519645545 /nfs/dbraw/zinc/64/55/45/519645545.db2.gz MXIKNOBYVNLDDR-SSXLBPEZSA-N 0 0 430.677 7.378 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348899 519645902 /nfs/dbraw/zinc/64/59/02/519645902.db2.gz JVBJMRIVVNLPKI-DMHUNYQISA-N 0 0 433.677 6.024 50 30 IKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2)CC(C)C ZINC000020650398 519717814 /nfs/dbraw/zinc/71/78/14/519717814.db2.gz CYVBAAFCNYRZIR-YVNNLAQVSA-N 0 0 448.390 6.429 50 30 IKEARN CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2)CC(C)C ZINC000020625328 519717984 /nfs/dbraw/zinc/71/79/84/519717984.db2.gz AJCAPVNAIUJHEJ-YVNNLAQVSA-N 0 0 448.390 6.429 50 30 IKEARN CC(=O)Nc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001135005 519734415 /nfs/dbraw/zinc/73/44/15/519734415.db2.gz KWZFNXJXMQGOAQ-RBTNQOKQSA-N 0 0 437.543 5.933 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257347670 519756963 /nfs/dbraw/zinc/75/69/63/519756963.db2.gz PMBSWZWCNKVWLV-JQZBIDAGSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000815810 519759026 /nfs/dbraw/zinc/75/90/26/519759026.db2.gz TZUWKRAYJMAJJN-GKVSMKOHSA-N 0 0 430.529 5.653 50 30 IKEARN CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000013568551 519782020 /nfs/dbraw/zinc/78/20/20/519782020.db2.gz VNLHLXBIHDGYKZ-WXTAPIANSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Oc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccccc1 ZINC000015906391 519782039 /nfs/dbraw/zinc/78/20/39/519782039.db2.gz KFHRCXTYVDIAPE-HSZRJFAPSA-N 0 0 426.438 5.949 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000001421898 519788631 /nfs/dbraw/zinc/78/86/31/519788631.db2.gz LJJSPCAEEZFQQU-HNNXBMFYSA-N 0 0 445.585 5.341 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000001421900 519788670 /nfs/dbraw/zinc/78/86/70/519788670.db2.gz NWKGFKGZRJFJDX-HNNXBMFYSA-N 0 0 427.595 5.202 50 30 IKEARN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000328591441 519801472 /nfs/dbraw/zinc/80/14/72/519801472.db2.gz XABQLSDYWKZMKC-NRFANRHFSA-N 0 0 445.585 5.573 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 ZINC000009419336 519834282 /nfs/dbraw/zinc/83/42/82/519834282.db2.gz ONROZUZEQWWBJL-QRVIBDJDSA-N 0 0 438.476 5.333 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000000864502 519839442 /nfs/dbraw/zinc/83/94/42/519839442.db2.gz OEWFOONBCNVTMJ-HSZRJFAPSA-N 0 0 430.479 5.123 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102929404 519840171 /nfs/dbraw/zinc/84/01/71/519840171.db2.gz NOTJRJLLRHSPHC-AYWGPLOBSA-N 0 0 446.934 5.480 50 30 IKEARN CC(C)c1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccn4)nn32)cc1 ZINC000018198801 519840313 /nfs/dbraw/zinc/84/03/13/519840313.db2.gz XWZTXNDNNNHSMY-QFIPXVFZSA-N 0 0 431.565 5.111 50 30 IKEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)CCCC1=O ZINC000100140334 519861780 /nfs/dbraw/zinc/86/17/80/519861780.db2.gz CBDDSGHZWNPZHQ-UHFFFAOYSA-N 0 0 444.575 5.564 50 30 IKEARN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000021721912 519877217 /nfs/dbraw/zinc/87/72/17/519877217.db2.gz FBHFHRWRQHGBFV-SANMLTNESA-N 0 0 431.580 5.138 50 30 IKEARN CCCC/N=C(/c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012419336 519887111 /nfs/dbraw/zinc/88/71/11/519887111.db2.gz PQDCVACEIDDUBM-WEMUOSSPSA-N 0 0 441.600 6.803 50 30 IKEARN CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccccc1 ZINC000008395991 519910395 /nfs/dbraw/zinc/91/03/95/519910395.db2.gz BRYNBLNOQPNQEA-BIFPGVLTSA-N 0 0 436.508 5.726 50 30 IKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097950878 519964304 /nfs/dbraw/zinc/96/43/04/519964304.db2.gz KVYUSCFINZSFTB-OAHLLOKOSA-N 0 0 434.622 6.578 50 30 IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000038150946 519969028 /nfs/dbraw/zinc/96/90/28/519969028.db2.gz KIULGBCXKSTGQP-YPKPFQOOSA-N 0 0 441.744 9.909 50 30 in-vitro IKEARN CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000032790550 519969331 /nfs/dbraw/zinc/96/93/31/519969331.db2.gz IPOLTUVFXFHAHI-MDRMPYQZSA-O 0 0 426.662 6.117 50 30 endogenous,in-man IKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000002190442 519971031 /nfs/dbraw/zinc/97/10/31/519971031.db2.gz SAPYUMSWCLGZQY-RUZDIDTESA-N 0 0 447.531 5.027 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1 ZINC000098021553 519973647 /nfs/dbraw/zinc/97/36/47/519973647.db2.gz HQEDDAJEWFFFQV-DEOSSOPVSA-N 0 0 428.573 6.293 50 30 IKEARN CCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000068589238 519977097 /nfs/dbraw/zinc/97/70/97/519977097.db2.gz MJSSQXNXESRVEG-UHFFFAOYSA-N 0 0 429.608 6.877 50 30 IKEARN CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000254385419 519979253 /nfs/dbraw/zinc/97/92/53/519979253.db2.gz LBERVHLCXUMDOT-FXPAMAQESA-N 0 0 442.684 7.571 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000098000391 519983089 /nfs/dbraw/zinc/98/30/89/519983089.db2.gz PYOWUKQRZIPKDJ-UHFFFAOYSA-N 0 0 428.598 7.605 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)n1c2ccccc2c2ccccc21 ZINC000079703235 519992147 /nfs/dbraw/zinc/99/21/47/519992147.db2.gz JSIDQRIEQXSCGV-UHFFFAOYSA-N 0 0 433.680 9.696 50 30 IKEARN CCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000072177032 519994420 /nfs/dbraw/zinc/99/44/20/519994420.db2.gz OHTBGMREZYLZQD-UHFFFAOYSA-N 0 0 432.733 9.852 50 30 endogenous,in-man IKEARN CCCCCCCCCCCCCCCCCCNC1=CC(=O)c2ccccc2C1=O ZINC000100993177 519996250 /nfs/dbraw/zinc/99/62/50/519996250.db2.gz ZWRYMFSTJOTECJ-UHFFFAOYSA-N 0 0 425.657 7.801 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C ZINC000008433217 519998581 /nfs/dbraw/zinc/99/85/81/519998581.db2.gz FWTXLNDFQLJULY-RRPNLBNLSA-N 0 0 433.677 6.548 50 30 IKEARN CCCCCCCCCCCCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398370 520003029 /nfs/dbraw/zinc/00/30/29/520003029.db2.gz VCNKXKFMMFRLDU-UHFFFAOYSA-N 0 0 433.641 5.336 50 30 IKEARN CCCCCCCCCCCCc1nc(C)c(CCCCCCCCCCCC)nc1C ZINC000097950621 520015864 /nfs/dbraw/zinc/01/58/64/520015864.db2.gz PTJHWLTXDXYAMX-UHFFFAOYSA-N 0 0 444.792 10.020 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097952976 520017101 /nfs/dbraw/zinc/01/71/01/520017101.db2.gz MUUVYRSJUZVUTP-DEOSSOPVSA-N 0 0 445.651 7.396 50 30 IKEARN CCCCCCCCCCOC(=O)Nc1ccc(Br)cc1Br ZINC000008426879 520019590 /nfs/dbraw/zinc/01/95/90/520019590.db2.gz RTVMDYSPCJKHFX-UHFFFAOYSA-N 0 0 435.200 6.901 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC ZINC000008437757 520021496 /nfs/dbraw/zinc/02/14/96/520021496.db2.gz PGIBJVOPLXHHGS-UHFFFAOYSA-N 0 0 446.672 8.282 50 30 in-vitro IKEARN CCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCCC)n1 ZINC000097996999 520022256 /nfs/dbraw/zinc/02/22/56/520022256.db2.gz NANLAFURUSCYET-UHFFFAOYSA-N 0 0 447.660 7.677 50 30 biogenic IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2C)cc1 ZINC000100028940 520022887 /nfs/dbraw/zinc/02/28/87/520022887.db2.gz PIGOEJFQUHQHTO-UHFFFAOYSA-N 0 0 426.601 6.715 50 30 IKEARN CCCCCCCCCCc1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1 ZINC000100853756 520025574 /nfs/dbraw/zinc/02/55/74/520025574.db2.gz UEJTXEVXJGCQGD-UHFFFAOYSA-N 0 0 442.599 8.228 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/N=C(/C=C\c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000097998454 520041135 /nfs/dbraw/zinc/04/11/35/520041135.db2.gz TWAURIMGBNRVSE-NUOHSWRESA-N 0 0 448.519 6.344 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 ZINC000097997921 520043067 /nfs/dbraw/zinc/04/30/67/520043067.db2.gz DCYBJPHMUGGQAJ-XLNRJJMWSA-N 0 0 437.536 5.788 50 30 biogenic IKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(C)c1 ZINC000050704707 520047866 /nfs/dbraw/zinc/04/78/66/520047866.db2.gz LJJNGJGDZUVLPT-UHFFFAOYSA-N 0 0 438.619 7.931 50 30 IKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OC)cc1 ZINC000050704704 520048726 /nfs/dbraw/zinc/04/87/26/520048726.db2.gz PMFXPCLGFPZVFW-UHFFFAOYSA-N 0 0 440.591 7.323 50 30 IKEARN CCCCCCCCc1ccc(CCC(CO)(CO)NC(=O)OCc2ccccc2)cc1 ZINC000072399471 520049402 /nfs/dbraw/zinc/04/94/02/520049402.db2.gz WHZSMGMWROULJR-UHFFFAOYSA-N 0 0 441.612 5.172 50 30 in-vitro IKEARN CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(c3ccccc3)C2=O)C1=O ZINC000095670890 520051065 /nfs/dbraw/zinc/05/10/65/520051065.db2.gz KLFQIPUMZRQHOB-MRCUWXFGSA-N 0 0 436.602 5.780 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc21 ZINC000002372423 520053659 /nfs/dbraw/zinc/05/36/59/520053659.db2.gz JSABJAURVBKOSL-UHFFFAOYSA-N 0 0 429.568 5.419 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21 ZINC000002264658 520053804 /nfs/dbraw/zinc/05/38/04/520053804.db2.gz JBSDJVRSHMSCCL-UHFFFAOYSA-N 0 0 429.568 5.473 50 30 IKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000097940013 520062205 /nfs/dbraw/zinc/06/22/05/520062205.db2.gz ILOLDPMFRNCBBN-GOSISDBHSA-N 0 0 427.541 5.380 50 30 IKEARN CCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002387465 520062368 /nfs/dbraw/zinc/06/23/68/520062368.db2.gz AXLTWWYQYNQZEO-UHFFFAOYSA-N 0 0 426.354 6.792 50 30 IKEARN CCCCCCC[C@]1(C)NC(=O)N(Cc2csc(-c3ccc(OCC)cc3)n2)C1=O ZINC000096021512 520070314 /nfs/dbraw/zinc/07/03/14/520070314.db2.gz LVCBSQAAHWFUDD-QHCPKHFHSA-N 0 0 429.586 5.380 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000002216026 520072242 /nfs/dbraw/zinc/07/22/42/520072242.db2.gz BZGYGMJSBJBICM-UHFFFAOYSA-N 0 0 441.535 5.263 50 30 IKEARN CCCCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1 ZINC000012470981 520103758 /nfs/dbraw/zinc/10/37/58/520103758.db2.gz XKEDONQIWMPPPP-JYFOCSDGSA-N 0 0 434.620 7.901 50 30 IKEARN CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000036512740 520107926 /nfs/dbraw/zinc/10/79/26/520107926.db2.gz IQXCHKVPMKFAJC-VWLOTQADSA-N 0 0 449.635 7.459 50 30 IKEARN CC/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC ZINC000033349892 520207277 /nfs/dbraw/zinc/20/72/77/520207277.db2.gz JFBIQWUQAAUWBX-PJUILTFESA-N 0 0 428.863 5.931 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC ZINC000002028948 520229398 /nfs/dbraw/zinc/22/93/98/520229398.db2.gz DHDNVEIAQQZEBC-HSZRJFAPSA-N 0 0 425.569 5.423 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000001079571 520255492 /nfs/dbraw/zinc/25/54/92/520255492.db2.gz RFQRCRSYHJVAOJ-MRXNPFEDSA-N 0 0 432.322 6.296 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000001079570 520255985 /nfs/dbraw/zinc/25/59/85/520255985.db2.gz WVLPDWFBZYBTDB-KRWDZBQOSA-N 0 0 432.322 6.296 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000000997341 520261996 /nfs/dbraw/zinc/26/19/96/520261996.db2.gz NZUPJUOBQUUWIH-DEOSSOPVSA-N 0 0 446.934 6.390 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1ccccc1 ZINC000021722095 520262466 /nfs/dbraw/zinc/26/24/66/520262466.db2.gz NKIMWHYTPHUKNG-RUZDIDTESA-N 0 0 441.531 5.806 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccco1 ZINC000018148521 520262570 /nfs/dbraw/zinc/26/25/70/520262570.db2.gz PSGCIEYNZHQEKN-XMMPIXPASA-N 0 0 443.572 6.293 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccs1 ZINC000012652081 520263057 /nfs/dbraw/zinc/26/30/57/520263057.db2.gz KJMSMMFOWBHWCR-XMMPIXPASA-N 0 0 428.557 6.205 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000012589211 520265990 /nfs/dbraw/zinc/26/59/90/520265990.db2.gz VEYXKXNYKUYFHP-HXUWFJFHSA-N 0 0 439.346 5.910 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cc(Cl)ccc2OC(F)F)C1 ZINC000004786565 520267348 /nfs/dbraw/zinc/26/73/48/520267348.db2.gz AWKYQUZCZATWAC-HXUWFJFHSA-N 0 0 443.881 5.949 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2ccccc2)C1 ZINC000020850740 520267451 /nfs/dbraw/zinc/26/74/51/520267451.db2.gz RKBBGNSVUHVKMK-OAQYLSRUSA-N 0 0 434.540 5.368 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccccc2)C1 ZINC000020850743 520267685 /nfs/dbraw/zinc/26/76/85/520267685.db2.gz RKBBGNSVUHVKMK-NRFANRHFSA-N 0 0 434.540 5.368 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2ccc(F)cc2)C1 ZINC000010035401 520267736 /nfs/dbraw/zinc/26/77/36/520267736.db2.gz QXNPTXXBRHSOKJ-OAQYLSRUSA-N 0 0 434.540 5.368 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1c(F)c(F)c(F)c(F)c1F ZINC000002906048 520269292 /nfs/dbraw/zinc/26/92/92/520269292.db2.gz GMGCRMXJWPGWAV-DEOSSOPVSA-N 0 0 443.415 6.845 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1C(=O)CCCC1=N2 ZINC000009856528 520273410 /nfs/dbraw/zinc/27/34/10/520273410.db2.gz ANEUSOATTOFUFB-GOSISDBHSA-N 0 0 447.402 5.345 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000013176625 520287729 /nfs/dbraw/zinc/28/77/29/520287729.db2.gz FHNUQLHNFJIHEW-IBGZPJMESA-N 0 0 434.879 6.026 50 30 IKEARN CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c21)CC(C)(C)CO3 ZINC000039321599 520389326 /nfs/dbraw/zinc/38/93/26/520389326.db2.gz GJBMAPKEODCTLC-AFUMVMLFSA-N 0 0 438.549 5.797 50 30 IKEARN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)Nc1ccc(SC(F)F)cc1 ZINC000012524545 520397801 /nfs/dbraw/zinc/39/78/01/520397801.db2.gz BTAIVLXZWKTZQO-UHFFFAOYSA-N 0 0 434.295 5.518 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000000626990 520495082 /nfs/dbraw/zinc/49/50/82/520495082.db2.gz QLGIRFMZNCMVCP-RUZDIDTESA-N 0 0 445.559 5.433 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1OC)O2 ZINC000020651019 520495580 /nfs/dbraw/zinc/49/55/80/520495580.db2.gz FTAJWFMNFUGUBY-KQWNVCNZSA-N 0 0 439.552 5.428 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000020646680 520496128 /nfs/dbraw/zinc/49/61/28/520496128.db2.gz DBGDDNVVIJTJOT-PCLIKHOPSA-N 0 0 432.564 5.902 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(OC)ccc1OC)O2 ZINC000013655635 520496662 /nfs/dbraw/zinc/49/66/62/520496662.db2.gz QLJJSNRDBMCEGI-JLPGSUDCSA-N 0 0 439.552 5.428 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2 ZINC000020650227 520496913 /nfs/dbraw/zinc/49/69/13/520496913.db2.gz NMLQAGQGAZFHHB-HMAPJEAMSA-N 0 0 431.935 6.203 50 30 IKEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013095855 520515077 /nfs/dbraw/zinc/51/50/77/520515077.db2.gz DKSGKFAHSLYVHS-RULQDPSVSA-N 0 0 429.929 5.172 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036257919 520535517 /nfs/dbraw/zinc/53/55/17/520535517.db2.gz CAJKNRMPYWDZRW-LICLKQGHSA-N 0 0 449.450 5.263 50 30 IKEARN CC1(C)OC(c2ccccc2)=C/C(=C\C=Nc2ccc(Cl)cc2C(=O)c2ccccc2)O1 ZINC000252679392 520607540 /nfs/dbraw/zinc/60/75/40/520607540.db2.gz LRYWPGGNVAJLHF-SWSBMQKNSA-N 0 0 443.930 6.981 50 30 IKEARN CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000013568633 520611826 /nfs/dbraw/zinc/61/18/26/520611826.db2.gz NHFCPFSRZFVRAF-WIYYLYMNSA-N 0 0 447.575 5.396 50 30 IKEARN CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000014735625 520652865 /nfs/dbraw/zinc/65/28/65/520652865.db2.gz GNMZSOCBCXXLHD-OAHLLOKOSA-N 0 0 430.460 5.271 50 30 IKEARN CCOc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)ccc1OC ZINC000050647521 520652892 /nfs/dbraw/zinc/65/28/92/520652892.db2.gz LSBNUOLVUHDMGP-ZHZULCJRSA-N 0 0 437.499 5.875 50 30 IKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)ccc1OC ZINC000021349703 520788154 /nfs/dbraw/zinc/78/81/54/520788154.db2.gz QBUAXCKLUMGEGR-GYCJOSAFSA-N 0 0 446.503 5.054 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000015837298 520802507 /nfs/dbraw/zinc/80/25/07/520802507.db2.gz QSNGWVCACHVZBJ-OAQYLSRUSA-N 0 0 445.321 5.739 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019890243 520805821 /nfs/dbraw/zinc/80/58/21/520805821.db2.gz HVTAIGRGHPXRPF-QFIPXVFZSA-N 0 0 440.465 5.347 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019890241 520805875 /nfs/dbraw/zinc/80/58/75/520805875.db2.gz HVTAIGRGHPXRPF-JOCHJYFZSA-N 0 0 440.465 5.347 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000012416392 520808860 /nfs/dbraw/zinc/80/88/60/520808860.db2.gz SQHYDVPMWNWVHI-SSOJOUAXSA-N 0 0 441.556 5.143 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547165 520811590 /nfs/dbraw/zinc/81/15/90/520811590.db2.gz YNHOOWWJUHDADK-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001063609 520813690 /nfs/dbraw/zinc/81/36/90/520813690.db2.gz QBOBMTBXBZBAST-UUOWRZLLSA-N 0 0 441.556 5.143 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001183786 520814385 /nfs/dbraw/zinc/81/43/85/520814385.db2.gz ZTEHWVZATXHWEJ-OYHNWAKOSA-N 0 0 441.980 5.715 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781253 520815545 /nfs/dbraw/zinc/81/55/45/520815545.db2.gz LNQPVILKDZBTBG-OPAMFIHVSA-N 0 0 425.525 5.200 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001183787 520816278 /nfs/dbraw/zinc/81/62/78/520816278.db2.gz ZTEHWVZATXHWEJ-NYHFZMIOSA-N 0 0 441.980 5.715 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019638559 520817642 /nfs/dbraw/zinc/81/76/42/520817642.db2.gz MDKPGMFAWUMHKT-FNZWTVRRSA-N 0 0 443.543 5.240 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000001129683 520819767 /nfs/dbraw/zinc/81/97/67/520819767.db2.gz QMXFSNDVGFEAOF-BVZFJXPGSA-N 0 0 449.522 5.656 50 30 IKEARN CCOc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1 ZINC000000712361 520821855 /nfs/dbraw/zinc/82/18/55/520821855.db2.gz BUOBPTIRIAHSKR-WYMPLXKRSA-N 0 0 431.404 5.281 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000717670 520822338 /nfs/dbraw/zinc/82/23/38/520822338.db2.gz NVSMXBWCDAZHLR-MWTRTKDXSA-N 0 0 439.552 5.448 50 30 IKEARN CCOc1ccc(-n2c(C)c(/C(C)=N\OCc3ccc(C#N)cc3)cc2-c2ccccc2)cc1 ZINC000035843499 520831475 /nfs/dbraw/zinc/83/14/75/520831475.db2.gz MTTGPDDRMKDPSY-YQYKVWLJSA-N 0 0 449.554 6.664 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000002734123 520852744 /nfs/dbraw/zinc/85/27/44/520852744.db2.gz ADJNNHIPEIGAFE-HXNPFYCNSA-N 0 0 428.557 6.511 50 30 IKEARN CCOc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1I ZINC000009262984 520854534 /nfs/dbraw/zinc/85/45/34/520854534.db2.gz ICYBSVKKKZXIQC-HZHRSRAPSA-N 0 0 442.300 6.184 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1 ZINC000001011970 520859398 /nfs/dbraw/zinc/85/93/98/520859398.db2.gz UYEFUCBMVPRGOI-ZOVWXIRQSA-N 0 0 446.956 5.467 50 30 IKEARN CCOc1ccc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC ZINC000012619744 520872147 /nfs/dbraw/zinc/87/21/47/520872147.db2.gz FDOJQKQQIGJHAO-XSFVSMFZSA-N 0 0 437.499 5.875 50 30 IKEARN CCCCOc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1OCC ZINC000012824268 520874017 /nfs/dbraw/zinc/87/40/17/520874017.db2.gz QKEMRGMJMDOUGN-UHFFFAOYSA-N 0 0 448.519 5.172 50 30 IKEARN CCN(CC)c1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000020617695 520879188 /nfs/dbraw/zinc/87/91/88/520879188.db2.gz KIJRQVPYDMVTPI-YRNVUSSQSA-N 0 0 426.310 5.298 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000012486219 520880217 /nfs/dbraw/zinc/88/02/17/520880217.db2.gz ANMSONZOHGCQJK-JOCHJYFZSA-N 0 0 448.906 5.225 50 30 IKEARN CCN(CC)c1ccc(/C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccc(C)cc2)cc1 ZINC000096035401 520883074 /nfs/dbraw/zinc/88/30/74/520883074.db2.gz IAIRBFSTVDVFID-HKWRFOASSA-N 0 0 434.583 7.261 50 30 IKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000012410736 520894579 /nfs/dbraw/zinc/89/45/79/520894579.db2.gz ZBZQSFQNKPWGHL-AREMUKBSSA-N 0 0 437.543 6.387 50 30 IKEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000013581926 520896656 /nfs/dbraw/zinc/89/66/56/520896656.db2.gz FMMOZPPXADXNAA-NOTAPSAMSA-N 0 0 448.361 5.222 50 30 IKEARN CC1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1 ZINC000006172517 520900305 /nfs/dbraw/zinc/90/03/05/520900305.db2.gz KMSIGDDMAIEECU-ICFDZUSXSA-N 0 0 446.182 6.678 50 30 IKEARN CC1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000035317799 520900573 /nfs/dbraw/zinc/90/05/73/520900573.db2.gz CDBOJGPJMRWNAJ-BVXMOGEKSA-N 0 0 426.170 7.766 50 30 IKEARN CC1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1 ZINC000004547117 520901489 /nfs/dbraw/zinc/90/14/89/520901489.db2.gz IWFWUQFBITYQRW-PWDIZTEBSA-N 0 0 446.182 6.678 50 30 IKEARN CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(CCCC)cc2)S1 ZINC000012194667 520911512 /nfs/dbraw/zinc/91/15/12/520911512.db2.gz GVCOBXZNLSJPRX-HXTHCWADSA-N 0 0 437.609 5.372 50 30 IKEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000000672279 520922464 /nfs/dbraw/zinc/92/24/64/520922464.db2.gz LOHBBIJNKKFBPB-PPHZAIPVSA-N 0 0 427.548 6.105 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C#N)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997460 520979914 /nfs/dbraw/zinc/97/99/14/520979914.db2.gz IEABAEFDIMPRSQ-HSZRJFAPSA-N 0 0 445.548 5.055 50 30 IKEARN CC1CCN(CN2C(=O)/C(=N\c3ccc(OC(F)(F)Cl)cc3)c3ccccc32)CC1 ZINC000012417802 521017193 /nfs/dbraw/zinc/01/71/93/521017193.db2.gz CZCVSZJCVBULKX-QOMWVZHYSA-N 0 0 433.886 5.011 50 30 IKEARN CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)CCCCC3)cc1 ZINC000015945619 521113568 /nfs/dbraw/zinc/11/35/68/521113568.db2.gz OSQAUPZYYKUQFN-WPWMEQJKSA-N 0 0 448.588 6.427 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O ZINC000013598308 521121690 /nfs/dbraw/zinc/12/16/90/521121690.db2.gz CDXXXPXFENUARQ-UKAZCEGMSA-N 0 0 433.552 6.003 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000027533013 521236769 /nfs/dbraw/zinc/23/67/69/521236769.db2.gz LHWJUNDHHZXMFR-XMMPIXPASA-N 0 0 445.563 5.031 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321131 521248680 /nfs/dbraw/zinc/24/86/80/521248680.db2.gz IPAYWZFNFRISSR-BXKMTCNYSA-N 0 0 446.503 5.054 50 30 IKEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1C ZINC000012550974 521358190 /nfs/dbraw/zinc/35/81/90/521358190.db2.gz VZZLUUSEURTYAA-ACCUITESSA-N 0 0 433.504 5.292 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(C)[nH]c5ccccc54)c3c2C1 ZINC000008970236 521366205 /nfs/dbraw/zinc/36/62/05/521366205.db2.gz HFPUONVHCJBZDV-GOQVHDTASA-N 0 0 431.609 6.468 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000012465179 521366226 /nfs/dbraw/zinc/36/62/26/521366226.db2.gz UNCNVXBRFJEQID-HEOQCTJZSA-N 0 0 437.569 5.977 50 30 IKEARN CCOC(=O)c1c(C)[nH]c(/C=C\C(=O)c2ccc(F)cc2)c1Cc1cccc(Cl)c1 ZINC000026786610 521375040 /nfs/dbraw/zinc/37/50/40/521375040.db2.gz KXLRDVMCMVELGY-QXMHVHEDSA-N 0 0 425.887 5.779 50 30 IKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)c1 ZINC000001434809 521424235 /nfs/dbraw/zinc/42/42/35/521424235.db2.gz UEJVMKHATLIVQX-PIIWDFAUSA-N 0 0 440.543 6.073 50 30 IKEARN CCOc1ccccc1/C=C(/C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 ZINC000013682599 521446402 /nfs/dbraw/zinc/44/64/02/521446402.db2.gz XWMNOIHRMLZFIL-CYVLTUHYSA-N 0 0 429.472 5.667 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\[C@@H](C)c1ccccc1 ZINC000013286474 521513630 /nfs/dbraw/zinc/51/36/30/521513630.db2.gz MADKRYSQLQJOKH-JKKGAUJZSA-N 0 0 425.579 5.119 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\[C@H](C)c1ccccc1 ZINC000013286475 521513637 /nfs/dbraw/zinc/51/36/37/521513637.db2.gz MADKRYSQLQJOKH-QRJAPVEVSA-N 0 0 425.579 5.119 50 30 IKEARN CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N/c1ccccc1 ZINC000008451930 521514348 /nfs/dbraw/zinc/51/43/48/521514348.db2.gz VAZLWADNTQRQKV-HZMZRVLWSA-N 0 0 447.354 5.090 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000008452298 521516793 /nfs/dbraw/zinc/51/67/93/521516793.db2.gz LTLKXHYORSIHQV-FUQOYWQNSA-N 0 0 442.584 6.506 50 30 IKEARN CCN1C/C(=C\c2ccc(OC(F)F)cc2)C(=O)/C(=C\c2ccc(OC(F)F)cc2)C1 ZINC000012657598 521542078 /nfs/dbraw/zinc/54/20/78/521542078.db2.gz UBEXLYXACHBLMP-MJZABRMRSA-N 0 0 435.417 5.261 50 30 IKEARN CCN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1 ZINC000012604472 521542399 /nfs/dbraw/zinc/54/23/99/521542399.db2.gz PNRCZERKCUVEHU-BSHIDLADSA-N 0 0 441.185 6.672 50 30 IKEARN CCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(C)c3)nn21 ZINC000009856596 521590588 /nfs/dbraw/zinc/59/05/88/521590588.db2.gz WSGBRJIXRZQUHN-QHCPKHFHSA-N 0 0 446.576 5.300 50 30 IKEARN CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2C)c2c(C)oc(C)c21 ZINC000009043531 521637702 /nfs/dbraw/zinc/63/77/02/521637702.db2.gz ZUNDXZAHVYGHAC-MRCUWXFGSA-N 0 0 443.543 6.323 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1 ZINC000032972916 521650006 /nfs/dbraw/zinc/65/00/06/521650006.db2.gz BFOLTIQERCYDHP-UHFFFAOYSA-N 0 0 445.611 5.740 50 30 IKEARN CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N[C@@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000065304870 521678075 /nfs/dbraw/zinc/67/80/75/521678075.db2.gz PYTBGZISYBCEOL-ABVOBTCJSA-N 0 0 441.616 5.164 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000020617940 521794126 /nfs/dbraw/zinc/79/41/26/521794126.db2.gz ZSOXWGWUIHTWGR-GZIVZEMBSA-N 0 0 447.294 5.689 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000036611456 521794268 /nfs/dbraw/zinc/79/42/68/521794268.db2.gz UWDBWOSDYGRQCE-GZIVZEMBSA-N 0 0 447.294 5.689 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)c(F)c1)NCCc1c[nH]c2ccccc12 ZINC000032943391 521850077 /nfs/dbraw/zinc/85/00/77/521850077.db2.gz KWINFKLMRDAVAW-UHFFFAOYSA-N 0 0 442.538 5.618 50 30 IKEARN COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000035404035 521949108 /nfs/dbraw/zinc/94/91/08/521949108.db2.gz FWQHOVANYAPTLV-MOSHPQCFSA-N 0 0 438.445 6.506 50 30 IKEARN COc1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 ZINC000019773280 521986534 /nfs/dbraw/zinc/98/65/34/521986534.db2.gz YUNJZIFDIAEVQS-MTDXEUNCSA-N 0 0 449.982 5.079 50 30 IKEARN COc1cc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)ccc1O ZINC000008427623 521995529 /nfs/dbraw/zinc/99/55/29/521995529.db2.gz ILWWEQVPBZWVPB-NUGSKGIGSA-N 0 0 427.835 5.643 50 30 IKEARN COc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000001914468 522004145 /nfs/dbraw/zinc/00/41/45/522004145.db2.gz DAHBYLZGIOAQND-JFLMPSFJSA-N 0 0 444.560 5.349 50 30 IKEARN COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 ZINC000008991012 522045214 /nfs/dbraw/zinc/04/52/14/522045214.db2.gz CRDSAOQBPKAMPV-DHRITJCHSA-N 0 0 439.467 5.160 50 30 IKEARN CN(C)c1ccc(/C=C/C2=CC(=C3C(=O)c4ccccc4C3=O)C=C(c3ccccc3)O2)cc1 ZINC000057478264 522127168 /nfs/dbraw/zinc/12/71/68/522127168.db2.gz JTIXVXBDINYAGE-SAPNQHFASA-N 0 0 445.518 6.097 50 30 IKEARN CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009602020 522129491 /nfs/dbraw/zinc/12/94/91/522129491.db2.gz AOSIQHVFWXGOAG-JOCHJYFZSA-N 0 0 447.970 5.323 50 30 IKEARN COc1cc(C(=O)Oc2ccccc2/C=C2\Sc3ccccc3C2=O)cc(OC)c1OC ZINC000013306990 522171544 /nfs/dbraw/zinc/17/15/44/522171544.db2.gz QFUAEIUSOXUDQZ-HMAPJEAMSA-N 0 0 448.496 5.261 50 30 IKEARN COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000018323787 522173571 /nfs/dbraw/zinc/17/35/71/522173571.db2.gz PCKKWYMEJUDDQQ-DEOSSOPVSA-N 0 0 446.547 5.272 50 30 IKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000001213028 522236652 /nfs/dbraw/zinc/23/66/52/522236652.db2.gz IEZGPYRAYNHBCB-XCLFUZPHSA-N 0 0 435.486 5.651 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1Br ZINC000068732083 522244627 /nfs/dbraw/zinc/24/46/27/522244627.db2.gz KZFXJLHNDOQRRG-VWLOTQADSA-N 0 0 447.376 6.342 50 30 IKEARN CN(C)c1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000001421738 522247660 /nfs/dbraw/zinc/24/76/60/522247660.db2.gz CKRGZYBCQPGMIS-CCLHPLFOSA-N 0 0 434.539 6.457 50 30 IKEARN COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000012749473 522254842 /nfs/dbraw/zinc/25/48/42/522254842.db2.gz LOCQZOXURFYCBK-RMKNXTFCSA-N 0 0 428.460 5.319 50 30 IKEARN COC(=O)c1ccccc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000095455158 522278708 /nfs/dbraw/zinc/27/87/08/522278708.db2.gz NOCCVRZBADLXHL-CQSZACIVSA-N 0 0 446.315 5.149 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000712328 522309440 /nfs/dbraw/zinc/30/94/40/522309440.db2.gz TWHOATAIKQDQPN-UHFFFAOYSA-N 0 0 438.520 5.021 50 30 IKEARN COc1cc(NC=CC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc(OC)c1OC ZINC000100331460 522631250 /nfs/dbraw/zinc/63/12/50/522631250.db2.gz ZFVFPFCJROGTFS-VAWYXSNFSA-N 0 0 444.487 5.638 50 30 IKEARN COc1cc(OC)cc(-c2cc(/C=C/c3ccccc3)c(C#N)c3nc4ccccc4n32)c1 ZINC000012566131 522836544 /nfs/dbraw/zinc/83/65/44/522836544.db2.gz BFCDVIXKIYVOAA-OUKQBFOZSA-N 0 0 431.495 6.214 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000005397097 522877348 /nfs/dbraw/zinc/87/73/48/522877348.db2.gz HKLRGZCPIUHXOU-VWLOTQADSA-N 0 0 445.559 5.351 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000019314437 522878687 /nfs/dbraw/zinc/87/86/87/522878687.db2.gz KYYQNEMVKYSELL-DEOSSOPVSA-N 0 0 431.532 5.043 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(F)cc1 ZINC000001434669 522880797 /nfs/dbraw/zinc/88/07/97/522880797.db2.gz QGBBCDVTQWDVTP-OYHNWAKOSA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000717193 522885955 /nfs/dbraw/zinc/88/59/55/522885955.db2.gz FOXLSVCGCITMAQ-VLIAUNLRSA-N 0 0 447.478 5.302 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)ccc1OC(C)C ZINC000013568606 522921352 /nfs/dbraw/zinc/92/13/52/522921352.db2.gz UEOHFARGAVGEPV-FUHWJXTLSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)ccc1OC(C)C ZINC000013568610 522922665 /nfs/dbraw/zinc/92/26/65/522922665.db2.gz LEZOUGGFQGMRHJ-PKOBYXMFSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(Cl)cc2)ccc1O ZINC000033321098 522924219 /nfs/dbraw/zinc/92/42/19/522924219.db2.gz LLUMZAUJCNOVHZ-OYHNWAKOSA-N 0 0 436.895 5.309 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O ZINC000000710627 522964990 /nfs/dbraw/zinc/96/49/90/522964990.db2.gz FDVXNNIFAZBQQL-MRDQGFSESA-N 0 0 442.515 5.389 50 30 IKEARN COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3Cl)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000013591443 523023327 /nfs/dbraw/zinc/02/33/27/523023327.db2.gz MYVLDOMCMVGUBS-LJQANCHMSA-N 0 0 449.978 5.997 50 30 IKEARN COc1cc2c(cc1OC)[C@@H](c1sccc1C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018200061 523044458 /nfs/dbraw/zinc/04/44/58/523044458.db2.gz HZZDGHGPDKORAN-JLCFBVMHSA-N 0 0 437.586 6.093 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NC(C)c3ccc(F)cc3)n2)cc1OC ZINC000012343317 523085938 /nfs/dbraw/zinc/08/59/38/523085938.db2.gz WQBGOOKUMVWBAA-OCSSWDANSA-N 0 0 442.494 5.803 50 30 IKEARN COc1ccc(-c2cc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000021658647 523123229 /nfs/dbraw/zinc/12/32/29/523123229.db2.gz XNTUUJSWAIEBTQ-DEOSSOPVSA-N 0 0 433.939 5.870 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000015912987 523238546 /nfs/dbraw/zinc/23/85/46/523238546.db2.gz LMUZKRXGDJHSKX-PKNBQFBNSA-N 0 0 431.473 5.414 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccc3ccccc32)cc1 ZINC000013071070 523239318 /nfs/dbraw/zinc/23/93/18/523239318.db2.gz JUYXHMMZRRASHC-KNTRCKAVSA-N 0 0 430.507 6.597 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000012644163 523243443 /nfs/dbraw/zinc/24/34/43/523243443.db2.gz PMYSNIVWSIULKR-UHFFFAOYSA-N 0 0 439.475 5.072 50 30 IKEARN COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/CCc1ccc(Cl)cc1 ZINC000012624747 523271214 /nfs/dbraw/zinc/27/12/14/523271214.db2.gz IKMKXVZBYOVMAE-KCURZMHMSA-N 0 0 449.403 5.545 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009123183 523285648 /nfs/dbraw/zinc/28/56/48/523285648.db2.gz YSXMGWOQEKTMTN-XMMPIXPASA-N 0 0 443.499 5.094 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000020649671 523303867 /nfs/dbraw/zinc/30/38/67/523303867.db2.gz CYWOHMRXGGESRQ-YTIGJDNKSA-N 0 0 446.547 5.224 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 ZINC000009422642 523303919 /nfs/dbraw/zinc/30/39/19/523303919.db2.gz NWXLOKJZBBIWKV-ZMOGYAJESA-N 0 0 443.886 6.150 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21 ZINC000009422997 523307298 /nfs/dbraw/zinc/30/72/98/523307298.db2.gz XEMGDIDTYNMEJB-DHRITJCHSA-N 0 0 429.903 6.510 50 30 IKEARN COc1ccc(-n2c(C)cc(C=NNc3ccc(I)cc3)c2C)cc1 ZINC000012364020 523315182 /nfs/dbraw/zinc/31/51/82/523315182.db2.gz ARXCTFJWNHEQNX-XKZIYDEJSA-N 0 0 445.304 5.153 50 30 IKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC ZINC000009659813 523362852 /nfs/dbraw/zinc/36/28/52/523362852.db2.gz FYLQKXLVNLROKA-WSDLNYQXSA-N 0 0 432.343 5.426 50 30 IKEARN COc1ccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000008437061 523381467 /nfs/dbraw/zinc/38/14/67/523381467.db2.gz NAAZRSQSGGMPNQ-UYRXBGFRSA-N 0 0 445.471 5.286 50 30 IKEARN COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nnc2ccccc21 ZINC000004871547 523383212 /nfs/dbraw/zinc/38/32/12/523383212.db2.gz YWJOOPKBMUFJHI-VQHVLOKHSA-N 0 0 427.548 5.287 50 30 IKEARN CC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000013618191 523421941 /nfs/dbraw/zinc/42/19/41/523421941.db2.gz OYEUKCYVXSYVKV-NVHJWRPJSA-N 0 0 430.371 5.002 50 30 IKEARN COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)cc1CSCc1ccco1 ZINC000019644158 523444947 /nfs/dbraw/zinc/44/49/47/523444947.db2.gz VLKRULCIKXYHJA-FSJBWODESA-N 0 0 445.997 5.696 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1Br ZINC000003050672 523456116 /nfs/dbraw/zinc/45/61/16/523456116.db2.gz SKADHBYYVUGKCJ-WYMPLXKRSA-N 0 0 441.712 6.670 50 30 IKEARN COc1ccc(/N=C\c2nc(-c3ccccc3)oc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100902307 523472343 /nfs/dbraw/zinc/47/23/43/523472343.db2.gz LWTDZZGXVXAKIK-MYYYXRDXSA-N 0 0 443.415 5.228 50 30 IKEARN COc1ccc(Br)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1 ZINC000000696118 523486151 /nfs/dbraw/zinc/48/61/51/523486151.db2.gz MOWNCQBXBIQIBW-XMMPIXPASA-N 0 0 434.333 6.284 50 30 IKEARN COc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c(OCc2ccccc2)c1 ZINC000011617256 523537783 /nfs/dbraw/zinc/53/77/83/523537783.db2.gz KWEXEUOOPDALAJ-JXMROGBWSA-N 0 0 436.891 5.690 50 30 biogenic IKEARN COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3cccc4ccccc43)c2Cl)cc1OC ZINC000013040998 523540036 /nfs/dbraw/zinc/54/00/36/523540036.db2.gz WLYKLGGSGVHJDK-OUKQBFOZSA-N 0 0 446.934 5.960 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C(C)C)cc2)c1C ZINC000032972035 523640416 /nfs/dbraw/zinc/64/04/16/523640416.db2.gz WBZNBYYWSYQDIF-UHFFFAOYSA-N 0 0 445.611 5.658 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl ZINC000101315348 523669775 /nfs/dbraw/zinc/66/97/75/523669775.db2.gz SRSOJXJDJDRYLG-MSIBFWPZSA-N 0 0 431.319 5.224 50 30 IKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2ccco2)cc1 ZINC000009332489 523679516 /nfs/dbraw/zinc/67/95/16/523679516.db2.gz PMKHIXTVTHTQKW-PUAOIOHZSA-N 0 0 428.488 5.355 50 30 IKEARN CN1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1 ZINC000012604721 523738301 /nfs/dbraw/zinc/73/83/01/523738301.db2.gz KHBXHLSTIOLHQI-VAQFQWRASA-N 0 0 447.170 5.193 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008809706 523777607 /nfs/dbraw/zinc/77/76/07/523777607.db2.gz HBTABMLBZYAMMQ-SMIHKQSGSA-N 0 0 437.524 5.041 50 30 IKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(OC)c1 ZINC000095496445 523794889 /nfs/dbraw/zinc/79/48/89/523794889.db2.gz PEGZZIZHZPXEII-UHFFFAOYSA-N 0 0 428.525 5.190 50 30 IKEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1 ZINC000035155577 523875208 /nfs/dbraw/zinc/87/52/08/523875208.db2.gz VXRKAEJOVJUQQA-UYRXBGFRSA-N 0 0 440.977 6.538 50 30 IKEARN CCc1ccc(/N=C2\c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000001444631 523877194 /nfs/dbraw/zinc/87/71/94/523877194.db2.gz NVVNULYIJWROEX-SJCQXOIGSA-N 0 0 437.587 5.629 50 30 IKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc(Br)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000012362835 523878135 /nfs/dbraw/zinc/87/81/35/523878135.db2.gz NJYDEZOSBWRDCZ-DNQXCXABSA-N 0 0 446.348 5.874 50 30 IKEARN COc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1 ZINC000254821162 523883179 /nfs/dbraw/zinc/88/31/79/523883179.db2.gz SSNRMSCFXPROTC-UHFFFAOYSA-N 0 0 436.511 6.997 50 30 IKEARN COc1ccc(CC(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 ZINC000009971385 523907418 /nfs/dbraw/zinc/90/74/18/523907418.db2.gz XDXOHXLWLKACDI-OAQYLSRUSA-N 0 0 439.342 6.147 50 30 IKEARN CCc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 ZINC000021355749 523973373 /nfs/dbraw/zinc/97/33/73/523973373.db2.gz XFARLUOGFIBODQ-HHHXNRCGSA-N 0 0 441.531 5.461 50 30 IKEARN CCc1ccc(OCc2nnc(Sc3ccc(C#N)cn3)n2[C@H](C)c2ccccc2)cc1 ZINC000024758920 524008001 /nfs/dbraw/zinc/00/80/01/524008001.db2.gz RWJQJURBJLDNQS-GOSISDBHSA-N 0 0 441.560 5.447 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000008742245 524033725 /nfs/dbraw/zinc/03/37/25/524033725.db2.gz UAMHNFUXDDMCPH-YIXXDRMTSA-N 0 0 443.587 5.810 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000008926756 524033888 /nfs/dbraw/zinc/03/38/88/524033888.db2.gz FXNBYLPGDWPUPX-NPMXOYFQSA-N 0 0 441.618 5.685 50 30 IKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012524600 524035139 /nfs/dbraw/zinc/03/51/39/524035139.db2.gz JPFZBNKQODIPFU-JLPGSUDCSA-N 0 0 425.557 6.095 50 30 IKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321101 524041067 /nfs/dbraw/zinc/04/10/67/524041067.db2.gz WBGLFIYLTVLZBJ-HOYKHHGWSA-N 0 0 430.504 5.218 50 30 IKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012652139 524043924 /nfs/dbraw/zinc/04/39/24/524043924.db2.gz OBVSHULDLPEWHN-MHZLTWQESA-N 0 0 444.962 6.529 50 30 IKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321102 524056686 /nfs/dbraw/zinc/05/66/86/524056686.db2.gz WBGLFIYLTVLZBJ-UUOWRZLLSA-N 0 0 430.504 5.218 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 ZINC000013571217 524060290 /nfs/dbraw/zinc/06/02/90/524060290.db2.gz WDYAIVDJJLWZEM-HXUWFJFHSA-N 0 0 446.553 5.703 50 30 IKEARN Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3c(C)cccc3C)C2=O)c1 ZINC000003041808 524103393 /nfs/dbraw/zinc/10/33/93/524103393.db2.gz OEODNHSTSCHKBO-COOPMVRXSA-N 0 0 442.588 5.158 50 30 IKEARN COc1ccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)c2C)cc1 ZINC000035843442 524109772 /nfs/dbraw/zinc/10/97/72/524109772.db2.gz NTUVJUWCMMABBB-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(F)c2)cc1 ZINC000001204083 524110431 /nfs/dbraw/zinc/11/04/31/524110431.db2.gz NOCCFNHRVZGIOG-XMMPIXPASA-N 0 0 449.522 5.182 50 30 IKEARN COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000018249863 524111971 /nfs/dbraw/zinc/11/19/71/524111971.db2.gz YDTXFOIGDQGKQP-OAQYLSRUSA-N 0 0 444.453 5.401 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1O ZINC000000815894 524130650 /nfs/dbraw/zinc/13/06/50/524130650.db2.gz XYKAAHIVTFOQNE-QYBDOPJKSA-N 0 0 426.516 5.689 50 30 IKEARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000021721964 524137853 /nfs/dbraw/zinc/13/78/53/524137853.db2.gz HMWDLWIUMFVQOQ-MHZLTWQESA-N 0 0 441.531 5.515 50 30 IKEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1 ZINC000035655378 524216293 /nfs/dbraw/zinc/21/62/93/524216293.db2.gz XMCULJXLVGTRNC-UHFFFAOYSA-N 0 0 435.936 5.185 50 30 IKEARN Cc1ccc(C)n1-c1ccc(C=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000008649575 524217842 /nfs/dbraw/zinc/21/78/42/524217842.db2.gz ZGQQWHNMCVLVBF-KVSWJAHQSA-N 0 0 425.376 6.578 50 30 IKEARN Cc1cccc(C(=O)O/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)c1 ZINC000012955396 524224537 /nfs/dbraw/zinc/22/45/37/524224537.db2.gz QDGQSHKNHZYESH-JFLMPSFJSA-N 0 0 446.959 6.680 50 30 IKEARN Cc1ccc(CNC(Nc2ccc(C(=O)[O-])cc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065304877 524226215 /nfs/dbraw/zinc/22/62/15/524226215.db2.gz CZNPNQBZLXGIOK-UHFFFAOYSA-N 0 0 431.580 5.467 50 30 IKEARN Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2ccccc2)c1 ZINC000002542598 524227304 /nfs/dbraw/zinc/22/73/04/524227304.db2.gz MUPYNUJGZUCIKW-WPWMEQJKSA-N 0 0 439.540 5.688 50 30 IKEARN COc1cccc2cc(-c3csc(N/N=C(\C)c4ccc(Cl)cc4)n3)c(=O)oc21 ZINC000008432762 524255047 /nfs/dbraw/zinc/25/50/47/524255047.db2.gz FVZDCSUEUKYLHR-WYMPLXKRSA-N 0 0 425.897 5.415 50 30 IKEARN COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc21 ZINC000032808530 524257223 /nfs/dbraw/zinc/25/72/23/524257223.db2.gz GPQIJOKWTGVQHC-VAWYXSNFSA-N 0 0 446.528 6.095 50 30 IKEARN COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009127078 524290853 /nfs/dbraw/zinc/29/08/53/524290853.db2.gz PBRUGJDPXMVVSU-HXUWFJFHSA-N 0 0 446.963 5.823 50 30 IKEARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 ZINC000011388581 524292007 /nfs/dbraw/zinc/29/20/07/524292007.db2.gz OHTXOTIBCSORPK-HFITWMCCSA-N 0 0 435.549 5.106 50 30 IKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000002402161 524316070 /nfs/dbraw/zinc/31/60/70/524316070.db2.gz XOJDZIHFUVXSQM-WDJNEDGGSA-N 0 0 432.859 5.740 50 30 IKEARN COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C ZINC000002294001 524328247 /nfs/dbraw/zinc/32/82/47/524328247.db2.gz CGGREFCLEAARCV-LYAXJZIPSA-N 0 0 437.564 7.403 50 30 IKEARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1 ZINC000013574798 524341947 /nfs/dbraw/zinc/34/19/47/524341947.db2.gz ITSWMBFBGMIEJR-MDZDMXLPSA-N 0 0 433.558 5.705 50 30 IKEARN COc1ccc(NC=CC(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1Cl ZINC000100293384 524379283 /nfs/dbraw/zinc/37/92/83/524379283.db2.gz XBKFIHCFQHXZOM-ZHACJKMWSA-N 0 0 446.305 6.529 50 30 IKEARN Cc1cc(C)cc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1 ZINC000032943088 524409668 /nfs/dbraw/zinc/40/96/68/524409668.db2.gz LRPIWYUNIDRPSO-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN Cc1cccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)c1 ZINC000012955422 524456994 /nfs/dbraw/zinc/45/69/94/524456994.db2.gz OQOLHSNFTUPFJR-ANYBSYGZSA-N 0 0 425.479 6.807 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)cc1 ZINC000020558808 524485767 /nfs/dbraw/zinc/48/57/67/524485767.db2.gz PORDWXRXQKUSEB-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)cc(C)c3)S2(=O)=O)cc1 ZINC000020558798 524485980 /nfs/dbraw/zinc/48/59/80/524485980.db2.gz BMXKBYAZPFGLNT-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)cc1 ZINC000020558774 524486543 /nfs/dbraw/zinc/48/65/43/524486543.db2.gz MKKAOHKLYVIWRW-HYARGMPZSA-N 0 0 438.936 5.135 50 30 IKEARN COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C ZINC000035843441 524493635 /nfs/dbraw/zinc/49/36/35/524493635.db2.gz ICCKTHUATKVHRM-CEUNXORHSA-N 0 0 428.507 6.541 50 30 IKEARN Cc1cccc(N2C3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)c1 ZINC000002063454 524535353 /nfs/dbraw/zinc/53/53/53/524535353.db2.gz MFLUFMCINVVGNQ-SANMLTNESA-N 0 0 445.562 6.850 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000018213356 524581051 /nfs/dbraw/zinc/58/10/51/524581051.db2.gz MWLRZUAGMWOGSB-OAQYLSRUSA-N 0 0 442.346 5.303 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000006015319 524584585 /nfs/dbraw/zinc/58/45/85/524584585.db2.gz LQKQDGKVWVCMAN-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000021355933 524613519 /nfs/dbraw/zinc/61/35/19/524613519.db2.gz ZJXSAIKIUPADPQ-DEOSSOPVSA-N 0 0 429.476 5.501 50 30 IKEARN Cc1ccc(CO/N=C/c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)cc1 ZINC000008733612 524625656 /nfs/dbraw/zinc/62/56/56/524625656.db2.gz VFVJAFZRRZHLQV-JVWAILMASA-N 0 0 447.991 6.751 50 30 IKEARN Cc1ccc(CSc2nc3n(n2)[C@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)c(C)c1 ZINC000020134128 524650749 /nfs/dbraw/zinc/65/07/49/524650749.db2.gz DHMSTSBBSKJNKE-JOCHJYFZSA-N 0 0 434.540 5.348 50 30 IKEARN Cc1cccc(Nc2nc(N=NCc3ccccc3F)nc(N3CCC(C)CC3)n2)c1C ZINC000008809772 524701427 /nfs/dbraw/zinc/70/14/27/524701427.db2.gz KABPBXDNEDCOFP-CVKSISIWSA-N 0 0 433.535 5.053 50 30 IKEARN COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21 ZINC000009731826 524746225 /nfs/dbraw/zinc/74/62/25/524746225.db2.gz RPFCIOZSOQYZED-OAQYLSRUSA-N 0 0 434.927 5.265 50 30 IKEARN Cc1cccc(OP(=O)(NN=C2c3ccccc3NC2=O)Oc2cccc(C)c2C)c1C ZINC000008853629 524769343 /nfs/dbraw/zinc/76/93/43/524769343.db2.gz MSCLZMCLVUAWBW-UHFFFAOYSA-N 0 0 449.447 5.432 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000019867074 524802093 /nfs/dbraw/zinc/80/20/93/524802093.db2.gz BVHGKMCFFRAWEG-CLOONOSVSA-N 0 0 431.532 5.008 50 30 IKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2 ZINC000013568663 524805675 /nfs/dbraw/zinc/80/56/75/524805675.db2.gz FRACDMYJQALVPS-XGCWNURASA-N 0 0 440.499 5.403 50 30 IKEARN COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3)nn21 ZINC000097964552 524806013 /nfs/dbraw/zinc/80/60/13/524806013.db2.gz SLKIPFXXLBNJEZ-QFIPXVFZSA-N 0 0 446.576 5.237 50 30 IKEARN COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652214 524806050 /nfs/dbraw/zinc/80/60/50/524806050.db2.gz LPLOBBGHUSLRJJ-SANMLTNESA-N 0 0 444.556 5.506 50 30 IKEARN Cc1cc(COc2ccc(Cl)cc2C)c(C)c(-c2c(C#N)c(N)nc3c2CCCC3)c1 ZINC000020602298 524806527 /nfs/dbraw/zinc/80/65/27/524806527.db2.gz FXUUKDJEMHEAGW-UHFFFAOYSA-N 0 0 431.967 6.239 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009559873 524911698 /nfs/dbraw/zinc/91/16/98/524911698.db2.gz ZYDCFFHSFVTXPW-SJKOYZFVSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)c1 ZINC000009559993 524911750 /nfs/dbraw/zinc/91/17/50/524911750.db2.gz DQMUKBLCFGBICH-CJNGLKHVSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1 ZINC000013568521 524912566 /nfs/dbraw/zinc/91/25/66/524912566.db2.gz SYCGTWZEFYLLFC-DYESRHJHSA-N 0 0 433.548 5.006 50 30 IKEARN COc1ccc(OCCOc2cc(C)cc(C)c2)c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000012465415 524963241 /nfs/dbraw/zinc/96/32/41/524963241.db2.gz JJJVQTBILMJABN-WGOQTCKBSA-N 0 0 447.560 5.826 50 30 IKEARN C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)c1ccccc1 ZINC000002181382 524979118 /nfs/dbraw/zinc/97/91/18/524979118.db2.gz CUNJYZJOJJYKJT-HEOQCTJZSA-N 0 0 449.576 6.156 50 30 IKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 ZINC000015979203 524992093 /nfs/dbraw/zinc/99/20/93/524992093.db2.gz HSMANNWPTVRTGH-WTDSWWLTSA-N 0 0 444.270 6.599 50 30 IKEARN Cc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000008990132 525039265 /nfs/dbraw/zinc/03/92/65/525039265.db2.gz FUFLKSPVCRMLJR-MTJSOVHGSA-N 0 0 426.877 5.032 50 30 IKEARN Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 ZINC000021722030 525060457 /nfs/dbraw/zinc/06/04/57/525060457.db2.gz CQUACJYGCKLNBJ-AREMUKBSSA-N 0 0 443.572 5.676 50 30 IKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O ZINC000013553101 525064995 /nfs/dbraw/zinc/06/49/95/525064995.db2.gz LCVWCEXMHQBBOT-YVNNLAQVSA-N 0 0 448.858 5.350 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)c3c(c2C#N)CCCC3)cc1 ZINC000012644470 525078582 /nfs/dbraw/zinc/07/85/82/525078582.db2.gz LAKGZIWZKJOBAP-UHFFFAOYSA-N 0 0 447.991 6.192 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(Cl)c1 ZINC000021722297 525152374 /nfs/dbraw/zinc/15/23/74/525152374.db2.gz DDDVKZGTRFBVJF-XMMPIXPASA-N 0 0 447.922 6.454 50 30 IKEARN Cc1ccc(NC(=O)ON=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000013395380 525188508 /nfs/dbraw/zinc/18/85/08/525188508.db2.gz PMULFVCAQLQLLJ-UHFFFAOYSA-N 0 0 426.826 5.267 50 30 IKEARN Cc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000020575725 525220044 /nfs/dbraw/zinc/22/00/44/525220044.db2.gz UCNGOQJPWXUHES-UNOMPAQXSA-N 0 0 444.965 5.196 50 30 IKEARN COc1ccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012889121 525227942 /nfs/dbraw/zinc/22/79/42/525227942.db2.gz PWWYPAHTCBJJEM-NRFANRHFSA-N 0 0 445.559 5.352 50 30 biogenic IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1 ZINC000006498942 525230093 /nfs/dbraw/zinc/23/00/93/525230093.db2.gz VKWBHSAKGOIDEP-HFJWLAOPSA-N 0 0 428.488 5.209 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(F)cc2)cc1 ZINC000064873968 525255903 /nfs/dbraw/zinc/25/59/03/525255903.db2.gz ICOLSOBTVNBSDX-QHCPKHFHSA-N 0 0 444.510 5.241 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(F)c(F)c2)cc1C ZINC000064775614 525256103 /nfs/dbraw/zinc/25/61/03/525256103.db2.gz ABERDVLOSHBRIR-HSZRJFAPSA-N 0 0 448.473 5.052 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(Cl)cc1 ZINC000064775595 525264529 /nfs/dbraw/zinc/26/45/29/525264529.db2.gz OZJPBDOYMACUAG-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O ZINC000013568556 525269644 /nfs/dbraw/zinc/26/96/44/525269644.db2.gz BNQZVNDPPTXWIL-QUGAMOGWSA-N 0 0 446.934 6.034 50 30 IKEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3Cl)nn21 ZINC000009856511 525376883 /nfs/dbraw/zinc/37/68/83/525376883.db2.gz FRYCUHWHCCWHRC-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1 ZINC000013654400 525383348 /nfs/dbraw/zinc/38/33/48/525383348.db2.gz ASMRQDHESBTGRW-IBYOTXECSA-N 0 0 432.347 5.793 50 30 IKEARN Cc1cc(Oc2ccc(C(=N)NOC(=O)c3cccs3)cc2[N+](=O)[O-])cc(C)c1Cl ZINC000012369673 525383901 /nfs/dbraw/zinc/38/39/01/525383901.db2.gz SWRDZTPTEDXKGD-UHFFFAOYSA-N 0 0 445.884 5.196 50 30 IKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 ZINC000013592296 525394363 /nfs/dbraw/zinc/39/43/63/525394363.db2.gz BRBXTEDIMJPHRJ-VWLOTQADSA-N 0 0 446.547 5.257 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1 ZINC000009488028 525397498 /nfs/dbraw/zinc/39/74/98/525397498.db2.gz ODYMRBPZHOQQTA-FQRUVTKNSA-N 0 0 447.534 5.699 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 ZINC000018106881 525398338 /nfs/dbraw/zinc/39/83/38/525398338.db2.gz WDWAQXJHXSWBCK-WINIVTDRSA-N 0 0 426.516 5.683 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 ZINC000000883130 525398575 /nfs/dbraw/zinc/39/85/75/525398575.db2.gz DVDPCBUPISECOT-DXPJPUQTSA-N 0 0 432.470 5.953 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3/C=C/c3ccccc3)C2)cc1 ZINC000010035375 525399233 /nfs/dbraw/zinc/39/92/33/525399233.db2.gz LFSSYFWGTHSGLA-VUMVYOQZSA-N 0 0 447.538 6.126 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000009546503 525399993 /nfs/dbraw/zinc/39/99/93/525399993.db2.gz JBTUOHMTNWAOJK-DWXRJYCRSA-N 0 0 439.490 5.600 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1OC ZINC000033324898 525401805 /nfs/dbraw/zinc/40/18/05/525401805.db2.gz BRUBXGKOVGUKFP-CMJOXMDJSA-N 0 0 434.467 5.098 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1 ZINC000102580663 525404144 /nfs/dbraw/zinc/40/41/44/525404144.db2.gz ALQJVCLZXJUQKW-IBVKSMDESA-N 0 0 447.534 6.539 50 30 IKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000009601017 525430072 /nfs/dbraw/zinc/43/00/72/525430072.db2.gz RKVRSJGSJWAWLW-SMSORMJASA-N 0 0 431.535 6.916 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000018143424 525430894 /nfs/dbraw/zinc/43/08/94/525430894.db2.gz UXXFGVKPOTVQKM-UZTOHYMASA-N 0 0 426.516 5.683 50 30 IKEARN Cc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3ccc(C(C)(C)C)cc3)nn21 ZINC000012639957 525433342 /nfs/dbraw/zinc/43/33/42/525433342.db2.gz AJHVPYBLECCNCZ-DEOSSOPVSA-N 0 0 440.591 6.209 50 30 IKEARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018197554 525443150 /nfs/dbraw/zinc/44/31/50/525443150.db2.gz MQOONJYZPNMPEZ-LMKMVOKYSA-N 0 0 447.556 5.732 50 30 IKEARN Cc1ccc(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000009090801 525484547 /nfs/dbraw/zinc/48/45/47/525484547.db2.gz WEDSNXWNOUSWQX-JWYWCWIRSA-N 0 0 448.935 5.010 50 30 IKEARN Cc1c(C#N)c(Sc2ccccc2NC(=O)c2ccc(Cl)cc2)nc2ccccc12 ZINC000012370041 525532514 /nfs/dbraw/zinc/53/25/14/525532514.db2.gz USHWAYNPKGTOEJ-UHFFFAOYSA-N 0 0 429.932 6.472 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000008431163 525533515 /nfs/dbraw/zinc/53/35/15/525533515.db2.gz ZXOVSPPEKNYKJJ-XPUQUNOQSA-N 0 0 439.353 5.274 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Cl)c(Cl)c2)c1CCC(C)C ZINC000016945585 525533636 /nfs/dbraw/zinc/53/36/36/525533636.db2.gz PAFLXGAQBCVHQW-UHFFFAOYSA-N 0 0 437.374 7.307 50 30 IKEARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2ccc(I)cc2)o1 ZINC000012363680 525558598 /nfs/dbraw/zinc/55/85/98/525558598.db2.gz KSEISMKTKWDQQQ-JAIQZWGSSA-N 0 0 447.232 5.214 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018107743 525592545 /nfs/dbraw/zinc/59/25/45/525592545.db2.gz QZJRQBFNIKGYNQ-JOCHJYFZSA-N 0 0 425.370 6.288 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000012565787 525597712 /nfs/dbraw/zinc/59/77/12/525597712.db2.gz BXHSEJWQNJEJHL-VGOFMYFVSA-N 0 0 445.462 5.711 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C1=O)cn2C ZINC000028182494 525599541 /nfs/dbraw/zinc/59/95/41/525599541.db2.gz NSJVESBVBFHOAR-ZMFRSBBQSA-N 0 0 439.511 5.999 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(Cl)cc4)ccc3C1=O)cn2C ZINC000008991182 525599628 /nfs/dbraw/zinc/59/96/28/525599628.db2.gz FFLARXNIEYFXAT-OPEKNORGSA-N 0 0 445.902 6.036 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cccc(OC)c4)ccc3C1=O)cn2C ZINC000008993463 525600716 /nfs/dbraw/zinc/60/07/16/525600716.db2.gz WZAIHFAOJMPCHQ-RPPGKUMJSA-N 0 0 441.483 5.391 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000253597585 525624908 /nfs/dbraw/zinc/62/49/08/525624908.db2.gz DJKUHJBPRWSFHW-ZGXJCFJZSA-N 0 0 430.654 6.502 50 30 IKEARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1 ZINC000013682183 525626004 /nfs/dbraw/zinc/62/60/04/525626004.db2.gz XKUJLRBSDHYVJV-IWIPYMOSSA-N 0 0 448.540 5.676 50 30 IKEARN Cc1cc2ccccn2c1C(=O)c1ccc(N=NC2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000012562971 525656864 /nfs/dbraw/zinc/65/68/64/525656864.db2.gz ACNHOEQLFHGCOV-UHFFFAOYSA-N 0 0 446.551 6.391 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2Cl)c1 ZINC000009861135 525675925 /nfs/dbraw/zinc/67/59/25/525675925.db2.gz FCBSXAHZDYQGAO-FQEVSTJZSA-N 0 0 442.346 5.303 50 30 IKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc4noc(-c5ccccc5)c4c3)o2)cc1Cl ZINC000036636061 525743738 /nfs/dbraw/zinc/74/37/38/525743738.db2.gz AYEHFMQTYNBBSJ-JLHYYAGUSA-N 0 0 439.898 7.613 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 ZINC000009679020 525770610 /nfs/dbraw/zinc/77/06/10/525770610.db2.gz RZNALYVPKBLOEL-DZNDYGJHSA-N 0 0 428.557 5.850 50 30 IKEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Br)cc3)n2)c(Cl)c1 ZINC000039383870 525779024 /nfs/dbraw/zinc/77/90/24/525779024.db2.gz OPOUJFOMWDHVFB-JLPGSUDCSA-N 0 0 431.746 5.874 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1 ZINC000009113495 525787365 /nfs/dbraw/zinc/78/73/65/525787365.db2.gz VVLLUTNDRUIFPM-WAIKUNEKSA-N 0 0 441.618 5.679 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc1 ZINC000020850300 525792135 /nfs/dbraw/zinc/79/21/35/525792135.db2.gz NUKWBMSLRRIYTB-JOCHJYFZSA-N 0 0 448.567 5.676 50 30 IKEARN Cc1ccsc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 ZINC000015945601 525815840 /nfs/dbraw/zinc/81/58/40/525815840.db2.gz RPSZMEKANDWJCC-AEIQVQRHSA-N 0 0 436.646 7.272 50 30 IKEARN Cc1ccsc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000002745321 525816164 /nfs/dbraw/zinc/81/61/64/525816164.db2.gz FIJWMXCSVRBIGI-MKRFAJQFSA-N 0 0 432.614 7.099 50 30 IKEARN Cc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000008857095 525848508 /nfs/dbraw/zinc/84/85/08/525848508.db2.gz OCXRYRIXDALDHC-IBPHRZDCSA-N 0 0 442.317 6.806 50 30 IKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(F)c4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793477 525866796 /nfs/dbraw/zinc/86/67/96/525866796.db2.gz DLZUCPMONZJFMT-FQEVSTJZSA-N 0 0 447.535 5.074 50 30 IKEARN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000009934764 525892903 /nfs/dbraw/zinc/89/29/03/525892903.db2.gz MRBNOGILXMKRED-RUMWWMSVSA-N 0 0 446.981 8.524 50 30 IKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C\c2ccc(Cl)cc2)CCCC4)cc1 ZINC000033626414 525894533 /nfs/dbraw/zinc/89/45/33/525894533.db2.gz XDMNSWDLCWHEDU-WGARJPEWSA-N 0 0 448.979 5.734 50 30 IKEARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000020606251 525933359 /nfs/dbraw/zinc/93/33/59/525933359.db2.gz YBSVIYLDKAMQIP-KGLIPLIRSA-N 0 0 427.526 5.085 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OCCC(C)C)c2)o1 ZINC000001019955 526027044 /nfs/dbraw/zinc/02/70/44/526027044.db2.gz CBYNSGURWQTNBK-HSZRJFAPSA-N 0 0 449.503 5.384 50 30 IKEARN Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009434557 526042689 /nfs/dbraw/zinc/04/26/89/526042689.db2.gz KUGGIIYEUXJTCI-HHHXNRCGSA-N 0 0 436.555 6.448 50 30 IKEARN Cc1ccc([C@H]2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1 ZINC000012954668 526043400 /nfs/dbraw/zinc/04/34/00/526043400.db2.gz GLSDWIARAGBKDB-JOCHJYFZSA-N 0 0 448.950 6.329 50 30 IKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4cccc(F)c4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793485 526047752 /nfs/dbraw/zinc/04/77/52/526047752.db2.gz DLZUCPMONZJFMT-HXUWFJFHSA-N 0 0 447.535 5.074 50 30 IKEARN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000008781214 526096532 /nfs/dbraw/zinc/09/65/32/526096532.db2.gz CDRLBDWYTUESJB-FDAWAROLSA-N 0 0 443.034 7.966 50 30 IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 ZINC000008809785 526194803 /nfs/dbraw/zinc/19/48/03/526194803.db2.gz JAHNEERZSBIKFN-BBZXKIHQSA-N 0 0 433.382 7.879 50 30 IKEARN C[C@H]1CC(C)(C)N(C)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000230144279 526224259 /nfs/dbraw/zinc/22/42/59/526224259.db2.gz FMTLDGNAGVCGTD-LMKMVOKYSA-N 0 0 426.564 5.780 50 30 IKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000009984987 526234215 /nfs/dbraw/zinc/23/42/15/526234215.db2.gz DNMTVJMATFLCQQ-HXUWFJFHSA-N 0 0 439.606 5.088 50 30 IKEARN CSc1sc(Br)c2c1/C(=N/OC(=O)c1cccs1)CC(C)(C)C2 ZINC000012367036 526234304 /nfs/dbraw/zinc/23/43/04/526234304.db2.gz ASAQIRQMZWUEOA-VCHYOVAHSA-N 0 0 430.414 5.828 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ncccc4N32)c(C)c1 ZINC000035896901 526239917 /nfs/dbraw/zinc/23/99/17/526239917.db2.gz HJULPICYDRMERV-CYXNTTPDSA-N 0 0 448.501 5.122 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000036020225 526240827 /nfs/dbraw/zinc/24/08/27/526240827.db2.gz LATHMBIBTZXTOU-OHSXHVKISA-N 0 0 433.486 5.544 50 30 IKEARN Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4O)cc3)cc2)c(O)c1 ZINC000004178081 526339628 /nfs/dbraw/zinc/33/96/28/526339628.db2.gz RKFJKEKDCJPASA-DPCVLPDWSA-N 0 0 440.455 5.803 50 30 IKEARN Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)c(O)c4)cc3)cc2)cc1O ZINC000001045505 526340280 /nfs/dbraw/zinc/34/02/80/526340280.db2.gz JVTGQUJALZMOKI-LPHFKDDMSA-N 0 0 438.483 5.601 50 30 IKEARN Oc1ccc(Br)cc1/C=N/c1ccc2c(ccc3c4ccccc4ccc23)c1 ZINC000012368534 526342397 /nfs/dbraw/zinc/34/23/97/526342397.db2.gz TUZLLMWGZZMJEX-JFLMPSFJSA-N 0 0 426.313 7.365 50 30 IKEARN O=C([O-])c1ccc(NC(NCc2ccc(F)cc2)=[NH+]CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065304889 526372631 /nfs/dbraw/zinc/37/26/31/526372631.db2.gz OEMOYPFMFSUUHB-UHFFFAOYSA-N 0 0 449.570 5.688 50 30 IKEARN S=c1[n-]nc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000012508129 526386944 /nfs/dbraw/zinc/38/69/44/526386944.db2.gz WCLOWKRTLPNLSV-JVWAILMASA-N 0 0 446.539 6.186 50 30 IKEARN Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1 ZINC000009788865 526387457 /nfs/dbraw/zinc/38/74/57/526387457.db2.gz JBBXAOFOEKGSQC-AWEZNQCLSA-N 0 0 443.642 5.413 50 30 IKEARN N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000019817753 526429552 /nfs/dbraw/zinc/42/95/52/526429552.db2.gz ZCQXDEVYYADLAT-GSLIJJQTSA-N 0 0 437.449 5.375 50 30 IKEARN N#CC1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 ZINC000009272253 526429908 /nfs/dbraw/zinc/42/99/08/526429908.db2.gz QKQMMWKKUAROFK-CCDWMCETSA-N 0 0 435.914 5.624 50 30 IKEARN N#CC1(C#N)[C@@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000020814325 526430040 /nfs/dbraw/zinc/43/00/40/526430040.db2.gz QZNUVBSFMIMCKU-ZDXQCDESSA-N 0 0 425.488 5.297 50 30 IKEARN O=C(Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000017023465 526437771 /nfs/dbraw/zinc/43/77/71/526437771.db2.gz LSCOIZUYQCZVAE-KKMKTNMSSA-N 0 0 438.232 6.982 50 30 IKEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000002578281 526439258 /nfs/dbraw/zinc/43/92/58/526439258.db2.gz BREZPRYZWDMUSI-ZMOGYAJESA-N 0 0 444.343 5.533 50 30 IKEARN O=C(Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1)c1ccccc1Cl ZINC000002223352 526441651 /nfs/dbraw/zinc/44/16/51/526441651.db2.gz DKNWEYKCAVKJPI-UHFFFAOYSA-N 0 0 438.266 5.501 50 30 IKEARN O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccc(Br)o1 ZINC000033447964 526447693 /nfs/dbraw/zinc/44/76/93/526447693.db2.gz DJLKLTPGRDBWDI-GZTJUZNOSA-N 0 0 427.275 5.591 50 30 IKEARN N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009129342 526464426 /nfs/dbraw/zinc/46/44/26/526464426.db2.gz RPCVKUSPGWWNAV-UHFFFAOYSA-N 0 0 438.862 5.353 50 30 IKEARN N#CCCn1cc(C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 ZINC000057373590 526466642 /nfs/dbraw/zinc/46/66/42/526466642.db2.gz DZJQAODQUJZJTC-SFHVURJKSA-N 0 0 428.561 5.227 50 30 IKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 ZINC000013097503 526467530 /nfs/dbraw/zinc/46/75/30/526467530.db2.gz SVSLTKPRECYPQG-HSZRJFAPSA-N 0 0 425.923 6.376 50 30 IKEARN N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(-c2ccccc2)n1 ZINC000008965907 526468201 /nfs/dbraw/zinc/46/82/01/526468201.db2.gz QUBSQSUURKXMLG-AREMUKBSSA-N 0 0 433.515 5.230 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(C(F)(F)F)nc1SCn1cc(Br)cn1 ZINC000017103033 526516797 /nfs/dbraw/zinc/51/67/97/526516797.db2.gz JXRHJALAOHEHFZ-UHFFFAOYSA-N 0 0 439.260 5.348 50 30 IKEARN N#Cc1cc(Cl)ncc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000328600352 526554647 /nfs/dbraw/zinc/55/46/47/526554647.db2.gz XIYPEDKJBNBHRB-UHFFFAOYSA-N 0 0 444.244 5.178 50 30 IKEARN Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)cs1 ZINC000012798467 526577558 /nfs/dbraw/zinc/57/75/58/526577558.db2.gz FIBYSZDQIJVAPR-UHFFFAOYSA-N 0 0 441.581 6.535 50 30 IKEARN N#Cc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)C2=O)cc1 ZINC000034734427 526611055 /nfs/dbraw/zinc/61/10/55/526611055.db2.gz JNKVGXJEDMYWRZ-UHFFFAOYSA-N 0 0 444.922 5.296 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009575283 526676328 /nfs/dbraw/zinc/67/63/28/526676328.db2.gz SCVOZDPFOPEBOP-ASSNKEHSSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000009530890 526676395 /nfs/dbraw/zinc/67/63/95/526676395.db2.gz PUNJQDNEQDEVMZ-SZNDQCEHSA-N 0 0 425.315 6.248 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000012375328 526749986 /nfs/dbraw/zinc/74/99/86/526749986.db2.gz YJYMMUDJPLXJEZ-UHFFFAOYSA-N 0 0 427.529 5.198 50 30 IKEARN O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008856339 526751731 /nfs/dbraw/zinc/75/17/31/526751731.db2.gz LOMWMVFDEDHQBR-UHFFFAOYSA-N 0 0 434.461 5.068 50 30 IKEARN N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000020890994 526784792 /nfs/dbraw/zinc/78/47/92/526784792.db2.gz RNBAKCFKBJBMOC-UHFFFAOYSA-N 0 0 439.515 5.844 50 30 IKEARN N#Cc1nc(Cc2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020437679 526785638 /nfs/dbraw/zinc/78/56/38/526785638.db2.gz WNWYQUYHRMXFOC-UHFFFAOYSA-N 0 0 434.543 5.049 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1c[nH]c3ccccc31)N2 ZINC000015821833 526797878 /nfs/dbraw/zinc/79/78/78/526797878.db2.gz RKJBXHXTLVMNQI-HHHXNRCGSA-N 0 0 433.511 5.985 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1cccc(Cl)c1)N2 ZINC000009861359 526798190 /nfs/dbraw/zinc/79/81/90/526798190.db2.gz OHMAFGPLYJZEIW-VWLOTQADSA-N 0 0 428.919 6.157 50 30 IKEARN O=C(c1ccccc1Cl)c1cc(Cl)ccc1/N=C\c1cc(Br)ccc1O ZINC000090451224 526804225 /nfs/dbraw/zinc/80/42/25/526804225.db2.gz QGOJPMZZECMTCD-MYKKPKGFSA-N 0 0 449.131 6.443 50 30 IKEARN N=C(NOC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000035622977 526805209 /nfs/dbraw/zinc/80/52/09/526805209.db2.gz GEPIMYBBSQXAGP-UHFFFAOYSA-N 0 0 435.789 5.023 50 30 IKEARN N=C(NOC(=O)c1ccc(OC(F)(F)F)cc1)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000012369080 526805485 /nfs/dbraw/zinc/80/54/85/526805485.db2.gz YURRZAHGNOBPEU-UHFFFAOYSA-N 0 0 433.213 5.053 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccc(F)cc1 ZINC000021722055 526827483 /nfs/dbraw/zinc/82/74/83/526827483.db2.gz XTHBDTKCZISFML-VWLOTQADSA-N 0 0 447.535 5.506 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1F ZINC000020503315 526827496 /nfs/dbraw/zinc/82/74/96/526827496.db2.gz NTHACJRDXJMIET-RUZDIDTESA-N 0 0 431.467 5.038 50 30 IKEARN Clc1ccc(-c2cc(-c3csc(N=NCc4ccccc4Cl)n3)on2)c(Cl)c1 ZINC000012369803 526933221 /nfs/dbraw/zinc/93/32/21/526933221.db2.gz JNCSGCKTPVMWGT-NUGSKGIGSA-N 0 0 449.750 6.871 50 30 IKEARN Clc1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Br)cc2)c(Cl)c1 ZINC000008809498 526935931 /nfs/dbraw/zinc/93/59/31/526935931.db2.gz KHJGHRNLYRYWAU-WYMPLXKRSA-N 0 0 445.147 6.821 50 30 IKEARN Clc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000009320737 526940335 /nfs/dbraw/zinc/94/03/35/526940335.db2.gz OAJLBXBPGDIFFQ-LUJVFJMUSA-N 0 0 435.958 7.446 50 30 IKEARN Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccncc2)c(Cl)c1 ZINC000009659614 526940980 /nfs/dbraw/zinc/94/09/80/526940980.db2.gz KQWVCKIENBHDHT-DHRITJCHSA-N 0 0 440.359 5.821 50 30 IKEARN O=C1/C(=C/c2cccc(Cl)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(Cl)c1 ZINC000020115378 526941966 /nfs/dbraw/zinc/94/19/66/526941966.db2.gz MFHOLABOFBYEGK-FWSOMWAYSA-N 0 0 434.366 6.545 50 30 IKEARN O=C1/C(=C\c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C/c1ccc(F)c(F)c1 ZINC000035229438 526946772 /nfs/dbraw/zinc/94/67/72/526946772.db2.gz PDYHCWPXGVXJJG-JTMCVSSMSA-N 0 0 437.436 5.795 50 30 IKEARN O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000008854825 526948427 /nfs/dbraw/zinc/94/84/27/526948427.db2.gz MOPWHNVGHYBXAG-QLYXXIJNSA-N 0 0 441.472 5.297 50 30 IKEARN Clc1ccc(CON=C(CSc2ccccc2)CSc2ccccc2)c(Cl)c1 ZINC000012338549 526949372 /nfs/dbraw/zinc/94/93/72/526949372.db2.gz TUGYVFZACNTPNE-UHFFFAOYSA-N 0 0 448.440 7.451 50 30 IKEARN Clc1ccc(CO/N=C/c2c(Sc3ccccc3)nc3sccn23)c(Cl)c1 ZINC000003027738 526950038 /nfs/dbraw/zinc/95/00/38/526950038.db2.gz SSFMAYRVFWYPBB-SSDVNMTOSA-N 0 0 434.373 6.405 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@H](c3cccc(Cl)c3)C12 ZINC000009597395 526968865 /nfs/dbraw/zinc/96/88/65/526968865.db2.gz WVALXGHEJZMJIN-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN Clc1cccc(-c2[nH]c(-c3cccc(C#Cc4ccccc4)c3)nc2-c2ccccc2)c1 ZINC000012323305 526971513 /nfs/dbraw/zinc/97/15/13/526971513.db2.gz DFMMYWZPHBMLMV-UHFFFAOYSA-N 0 0 430.938 7.464 50 30 IKEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000681892 527022383 /nfs/dbraw/zinc/02/23/83/527022383.db2.gz GLQSVDUEQKXPIZ-GKVSMKOHSA-N 0 0 445.906 6.228 50 30 IKEARN Cn1c(=O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(-c2ccccc2)c2cc(Cl)ccc21 ZINC000012569564 527022759 /nfs/dbraw/zinc/02/27/59/527022759.db2.gz JMWNMWSRARGPOF-YRNVUSSQSA-N 0 0 443.886 5.484 50 30 IKEARN O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000009559933 527022950 /nfs/dbraw/zinc/02/29/50/527022950.db2.gz JUEYCOQFLNHMEV-XXBNENTESA-N 0 0 427.475 5.622 50 30 IKEARN Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C ZINC000012520125 527023131 /nfs/dbraw/zinc/02/31/31/527023131.db2.gz HFMWTEOTWVTYJJ-APWPAUIKSA-N 0 0 439.625 5.040 50 30 IKEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000681891 527032986 /nfs/dbraw/zinc/03/29/86/527032986.db2.gz GLQSVDUEQKXPIZ-CRICUBBOSA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Br)Nc1ccccc1N2 ZINC000000709507 527033000 /nfs/dbraw/zinc/03/30/00/527033000.db2.gz ASSBIDWZDQGTAA-CRICUBBOSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Br)c1)Nc1ccccc1N2 ZINC000000672603 527033149 /nfs/dbraw/zinc/03/31/49/527033149.db2.gz JKOMNYJZWAZQKC-CJAUYULYSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000002173330 527042482 /nfs/dbraw/zinc/04/24/82/527042482.db2.gz KYZPDXKYUDWQMG-BOPFTXTBSA-N 0 0 430.913 6.115 50 30 IKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000009311759 527043180 /nfs/dbraw/zinc/04/31/80/527043180.db2.gz JSFOSVVHBVNLMZ-CPNJWEJPSA-N 0 0 442.928 5.130 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)NC1CCCCC1 ZINC000008826756 527059096 /nfs/dbraw/zinc/05/90/96/527059096.db2.gz CMMCSSRRBUPWFC-ZMOGYAJESA-N 0 0 444.025 6.241 50 30 IKEARN O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000252495390 527099076 /nfs/dbraw/zinc/09/90/76/527099076.db2.gz OPMLANDLXCWTHI-CIAFOILYSA-N 0 0 434.835 5.172 50 30 IKEARN O=C1[C@@H](Cc2cc(Cl)ccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002671083 527103160 /nfs/dbraw/zinc/10/31/60/527103160.db2.gz ZJLGJHFZDDYDPB-AYZDXIITSA-N 0 0 427.356 6.372 50 30 IKEARN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1cccc(Br)c1 ZINC000011869988 527122212 /nfs/dbraw/zinc/12/22/12/527122212.db2.gz FMEXQUIIJMAMJY-NHDPSOOVSA-N 0 0 425.253 5.783 50 30 IKEARN O=C1c2ccc(OCc3ccc(Cl)cc3Cl)cc2O/C1=C\c1ccc2c(c1)OCO2 ZINC000008990557 527122315 /nfs/dbraw/zinc/12/23/15/527122315.db2.gz XVOMTHXRTYKHDW-UYOCIXKTSA-N 0 0 441.266 5.917 50 30 IKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000013569136 527122829 /nfs/dbraw/zinc/12/28/29/527122829.db2.gz QWISISPZCXFDHG-XEJBWBEKSA-N 0 0 430.503 7.062 50 30 IKEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)O3 ZINC000218078929 527124520 /nfs/dbraw/zinc/12/45/20/527124520.db2.gz BXNOBDTXRLWMJR-VCDYGYSOSA-N 0 0 438.266 5.446 50 30 biogenic IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000010059708 527133441 /nfs/dbraw/zinc/13/34/41/527133441.db2.gz TZGRFSWZCQAQBE-MUUNZHRXSA-N 0 0 433.532 7.345 50 30 IKEARN O=C1c2sccc2N(Cc2ccc(F)cc2)S(=O)(=O)C1=CNc1cccc(Cl)c1 ZINC000020575777 527139383 /nfs/dbraw/zinc/13/93/83/527139383.db2.gz IWOSTKKZVPRKSD-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccnc2ccccc12 ZINC000058167190 527139873 /nfs/dbraw/zinc/13/98/73/527139873.db2.gz QYNPXBBHIZVBNV-SDNWHVSQSA-N 0 0 434.926 7.308 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1c(F)cccc1Cl ZINC000039988976 527139945 /nfs/dbraw/zinc/13/99/45/527139945.db2.gz QMBOIQDSHDSPTQ-ACCUITESSA-N 0 0 436.313 7.552 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012569563 527139992 /nfs/dbraw/zinc/13/99/92/527139992.db2.gz ALOTVNMXXHAMKK-YRNVUSSQSA-N 0 0 427.887 6.488 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000012958025 527180794 /nfs/dbraw/zinc/18/07/94/527180794.db2.gz JSRASXQLAWASLT-GBPUDXIESA-N 0 0 432.820 5.419 50 30 IKEARN O=C(Nc1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021722356 527201198 /nfs/dbraw/zinc/20/11/98/527201198.db2.gz UXMJPCZSTGZVAR-HSZRJFAPSA-N 0 0 433.508 6.100 50 30 IKEARN O=C(Nc1ccc(F)cc1)OCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000012340691 527202876 /nfs/dbraw/zinc/20/28/76/527202876.db2.gz GJEXCQSFQNNJDM-UHFFFAOYSA-N 0 0 447.306 6.872 50 30 IKEARN O=S1(=O)CCC(=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccsc21 ZINC000012961627 527298148 /nfs/dbraw/zinc/29/81/48/527298148.db2.gz NWJZVZXSCXCIIX-JAIQZWGSSA-N 0 0 429.272 5.067 50 30 IKEARN O=C(Nc1cccc(C(F)(F)F)c1)O/N=C1/c2ccccc2N(c2ccccc2)C1=O ZINC000012338660 527331760 /nfs/dbraw/zinc/33/17/60/527331760.db2.gz HBGORJIVUCTXSL-DIBXZPPDSA-N 0 0 425.366 5.337 50 30 IKEARN O=[N+]([O-])c1ccc(-c2ccc(-c3csc(N=NCc4c[nH]c5ccccc45)n3)o2)cc1 ZINC000012195363 527340932 /nfs/dbraw/zinc/34/09/32/527340932.db2.gz SUSZJPCJGWGUBV-WYMPLXKRSA-N 0 0 429.461 5.906 50 30 IKEARN O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012960300 527344339 /nfs/dbraw/zinc/34/43/39/527344339.db2.gz NKAJMJNCVXJYNQ-HPLNABNRSA-N 0 0 436.895 5.852 50 30 IKEARN O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1 ZINC000100507491 527396251 /nfs/dbraw/zinc/39/62/51/527396251.db2.gz BBGRMMLGMSPOBT-VULFUBBASA-N 0 0 443.846 7.067 50 30 IKEARN O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021722344 527416014 /nfs/dbraw/zinc/41/60/14/527416014.db2.gz WUOQABCHMVFLCT-HSZRJFAPSA-N 0 0 449.963 6.614 50 30 IKEARN Nc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000008648737 527466354 /nfs/dbraw/zinc/46/63/54/527466354.db2.gz ABQFHLASRNQIKH-ITYLOYPMSA-N 0 0 448.478 5.993 50 30 IKEARN O=c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)oc2ccccc12 ZINC000000711586 527484356 /nfs/dbraw/zinc/48/43/56/527484356.db2.gz KBXAJVANAVAWLX-QWXGXRTQSA-N 0 0 440.524 5.834 50 30 IKEARN O=C(NC1CCCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652151 527514177 /nfs/dbraw/zinc/51/41/77/527514177.db2.gz SQDBBVURPPOYFW-VWLOTQADSA-N 0 0 449.982 6.363 50 30 IKEARN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 ZINC000013130206 527534472 /nfs/dbraw/zinc/53/44/72/527534472.db2.gz XKRCRGNKNGLQLI-MDZDMXLPSA-N 0 0 442.346 5.220 50 30 IKEARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000014361079 527534540 /nfs/dbraw/zinc/53/45/40/527534540.db2.gz JPRAHKPNPIIFKS-XMMPIXPASA-N 0 0 445.994 6.696 50 30 IKEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C/c1c(C)nn(-c2ccccc2)c1Cl ZINC000009272655 527547098 /nfs/dbraw/zinc/54/70/98/527547098.db2.gz YDWVGSNUCAPGQA-BKHCZYBLSA-N 0 0 437.334 5.435 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013569346 527553369 /nfs/dbraw/zinc/55/33/69/527553369.db2.gz NJBKABMZUCSEPZ-FNZWTVRRSA-N 0 0 448.526 5.240 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018199731 527553730 /nfs/dbraw/zinc/55/37/30/527553730.db2.gz BSZSZVHMRDROBO-UUOWRZLLSA-N 0 0 438.556 5.595 50 30 IKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H]([C@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012589282 527571854 /nfs/dbraw/zinc/57/18/54/527571854.db2.gz GIVACYCDGIYMJO-KSFYIVLOSA-N 0 0 444.604 6.299 50 30 IKEARN O=C(NC(NCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000020518331 527585568 /nfs/dbraw/zinc/58/55/68/527585568.db2.gz TUMYISPZWGMTNZ-UHFFFAOYSA-N 0 0 434.424 5.618 50 30 IKEARN O=C(/C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 ZINC000050647519 527591211 /nfs/dbraw/zinc/59/12/11/527591211.db2.gz FJJQMFYEXUTOTN-UYRXBGFRSA-N 0 0 429.426 6.069 50 30 IKEARN O=C(/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000012564291 527591673 /nfs/dbraw/zinc/59/16/73/527591673.db2.gz XPVLVQSVOHDDCB-CJLVFECKSA-N 0 0 443.934 5.476 50 30 IKEARN O=C(/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000027474055 527594571 /nfs/dbraw/zinc/59/45/71/527594571.db2.gz SHRIWFBMSXEZQC-TVXVBNPNSA-N 0 0 431.333 6.196 50 30 IKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2c(c1)-c1ccccc1C2 ZINC000012538388 527603300 /nfs/dbraw/zinc/60/33/00/527603300.db2.gz HUUWKIOXJICOLP-DHZHZOJOSA-N 0 0 431.318 7.721 50 30 IKEARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012284814 527605285 /nfs/dbraw/zinc/60/52/85/527605285.db2.gz BJUUPEVIZOSNSR-CSKARUKUSA-N 0 0 430.372 5.919 50 30 IKEARN O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(-n2ccnc2)cc1 ZINC000013640483 527606547 /nfs/dbraw/zinc/60/65/47/527606547.db2.gz ALFIDNJDZJZYFH-BQYQJAHWSA-N 0 0 442.368 5.497 50 30 IKEARN O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035363356 527617594 /nfs/dbraw/zinc/61/75/94/527617594.db2.gz YNYGOQGWNKVQHV-XLUWADSXSA-N 0 0 442.786 5.984 50 30 IKEARN O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)-c1ccccc1C2 ZINC000012539943 527626243 /nfs/dbraw/zinc/62/62/43/527626243.db2.gz MIGABVYRIIRCFF-NTCAYCPXSA-N 0 0 449.937 7.060 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1C ZINC000032972637 527628805 /nfs/dbraw/zinc/62/88/05/527628805.db2.gz PLBQETDRLULEMA-UHFFFAOYSA-N 0 0 444.366 5.050 50 30 IKEARN ON=C(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1 ZINC000012338550 527643471 /nfs/dbraw/zinc/64/34/71/527643471.db2.gz JTIYWEIIRXVOII-UHFFFAOYSA-N 0 0 447.217 5.926 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000033423805 527646007 /nfs/dbraw/zinc/64/60/07/527646007.db2.gz MRZUPLUCUZMNJK-XNTDXEJSSA-N 0 0 447.307 6.337 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000012574261 527646221 /nfs/dbraw/zinc/64/62/21/527646221.db2.gz JQBLNSVBPHSPCQ-XNTDXEJSSA-N 0 0 447.307 6.337 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000012558421 527646299 /nfs/dbraw/zinc/64/62/99/527646299.db2.gz YBTXXDIWDHQRHT-HTXNQAPBSA-N 0 0 426.519 6.687 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 ZINC000012562938 527646333 /nfs/dbraw/zinc/64/63/33/527646333.db2.gz FDBMPPWRQYUEAE-JLHYYAGUSA-N 0 0 430.305 5.593 50 30 IKEARN O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000102443895 527654822 /nfs/dbraw/zinc/65/48/22/527654822.db2.gz MZMAPWJHFMTTRP-UTCJRWHESA-N 0 0 429.238 5.515 50 30 IKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000015836533 527660313 /nfs/dbraw/zinc/66/03/13/527660313.db2.gz MRZUPLUCUZMNJK-GDNBJRDFSA-N 0 0 447.307 6.337 50 30 IKEARN FC(F)(F)C(=NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)Nc1ccccc1 ZINC000022553836 527661940 /nfs/dbraw/zinc/66/19/40/527661940.db2.gz RGAIDNFDXHXWBL-UHFFFAOYSA-N 0 0 425.621 5.555 50 30 IKEARN O=C(NC=NOCc1ccc(Cl)cc1Cl)NOCc1c(Cl)cccc1Cl ZINC000018101720 527662394 /nfs/dbraw/zinc/66/23/94/527662394.db2.gz XMFZRFUHINORMI-UHFFFAOYSA-N 0 0 437.110 5.191 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C1CCCCC1 ZINC000102320255 527668268 /nfs/dbraw/zinc/66/82/68/527668268.db2.gz CULXSTLNPHOSFZ-WUZNOGLBSA-N 0 0 434.539 6.010 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccco1 ZINC000100487590 527668326 /nfs/dbraw/zinc/66/83/26/527668326.db2.gz XVNQCDWPODPSOG-LWDYBMGMSA-N 0 0 432.479 5.317 50 30 IKEARN FC(F)(F)Oc1ccc(-n2cccc2CN=Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000012369338 527674989 /nfs/dbraw/zinc/67/49/89/527674989.db2.gz BQSAHQXKFMHFDM-YPXUMCKCSA-N 0 0 448.754 5.889 50 30 IKEARN FC(F)(F)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000095742559 527679496 /nfs/dbraw/zinc/67/94/96/527679496.db2.gz IQHJEYAGPZJROH-UHFFFAOYSA-N 0 0 426.200 7.429 50 30 IKEARN FC(F)(F)c1cccc(CNc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)c1 ZINC000095691585 527684868 /nfs/dbraw/zinc/68/48/68/527684868.db2.gz VISDITFGIKJSHQ-UHFFFAOYSA-N 0 0 439.281 6.298 50 30 IKEARN FC(F)(F)c1cnc(C(=NNc2ccccc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000008762800 527688295 /nfs/dbraw/zinc/68/82/95/527688295.db2.gz RWSNZPOZOSGWPK-OGLMXYFKSA-N 0 0 444.671 6.925 50 30 IKEARN CC1(C)[C@H](C(=O)O[C@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl ZINC000000607796 555510784 /nfs/dbraw/zinc/51/07/84/555510784.db2.gz QQODLKZGRKWIFG-ZTNFWEORSA-N 0 0 434.294 6.317 50 30 in-man IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000628588 555513709 /nfs/dbraw/zinc/51/37/09/555513709.db2.gz HOEJGLKPFPMWHM-JOCHJYFZSA-N 0 0 425.912 5.377 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 ZINC000000630723 555514648 /nfs/dbraw/zinc/51/46/48/555514648.db2.gz HEGVWABNIAPBMT-WXTAPIANSA-N 0 0 430.935 6.328 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000000662415 555527413 /nfs/dbraw/zinc/52/74/13/555527413.db2.gz GDAYKPCAGLNMJO-HHHXNRCGSA-N 0 0 437.543 5.569 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000666754 555528945 /nfs/dbraw/zinc/52/89/45/555528945.db2.gz PPJAPMPUIWUORI-CPJSRVTESA-N 0 0 449.978 5.901 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000669787 555530121 /nfs/dbraw/zinc/53/01/21/555530121.db2.gz TYJRQKLPFPQHDD-XMMPIXPASA-N 0 0 429.476 6.077 50 30 IKEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000000672274 555531951 /nfs/dbraw/zinc/53/19/51/555531951.db2.gz LOHBBIJNKKFBPB-WINIVTDRSA-N 0 0 427.548 6.105 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674139 555532757 /nfs/dbraw/zinc/53/27/57/555532757.db2.gz MDSSCXDGYAOCPG-NSYGIPOTSA-N 0 0 443.459 5.108 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc4c(c2)OCO4)C3)s1 ZINC000000678593 555536112 /nfs/dbraw/zinc/53/61/12/555536112.db2.gz HTMLOCJJKALHQD-IVCQMTBJSA-N 0 0 430.529 5.765 50 30 IKEARN CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000000688884 555541369 /nfs/dbraw/zinc/54/13/69/555541369.db2.gz LKOYHHDDYIPSGE-VWLOTQADSA-N 0 0 432.564 5.884 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000000709468 555546484 /nfs/dbraw/zinc/54/64/84/555546484.db2.gz HBJPZHCWYVMFSK-LMKMVOKYSA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Br)Nc1ccccc1N2 ZINC000000709509 555546540 /nfs/dbraw/zinc/54/65/40/555546540.db2.gz ASSBIDWZDQGTAA-NSYGIPOTSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 ZINC000000709463 555546564 /nfs/dbraw/zinc/54/65/64/555546564.db2.gz KFDGLDPNDVLWLR-PUAOIOHZSA-N 0 0 445.906 6.228 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1OC ZINC000000709633 555546569 /nfs/dbraw/zinc/54/65/69/555546569.db2.gz SQPJLGCMLIETMA-WGDIFIGCSA-N 0 0 446.572 6.053 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000000709777 555546804 /nfs/dbraw/zinc/54/68/04/555546804.db2.gz KKFOCULDYZFJPV-MYUZEXMDSA-N 0 0 434.495 5.773 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC ZINC000000709947 555546837 /nfs/dbraw/zinc/54/68/37/555546837.db2.gz HILUGRDIMXMNKP-IVCQMTBJSA-N 0 0 432.545 5.745 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC ZINC000000709949 555546876 /nfs/dbraw/zinc/54/68/76/555546876.db2.gz HILUGRDIMXMNKP-LMKMVOKYSA-N 0 0 432.545 5.745 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1OC ZINC000000709642 555546889 /nfs/dbraw/zinc/54/68/89/555546889.db2.gz MTEXHNHGKQLPMQ-MYUZEXMDSA-N 0 0 442.515 5.389 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O ZINC000000710625 555547045 /nfs/dbraw/zinc/54/70/45/555547045.db2.gz FDVXNNIFAZBQQL-WGDIFIGCSA-N 0 0 442.515 5.389 50 30 IKEARN O=c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)oc2ccccc12 ZINC000000711585 555547470 /nfs/dbraw/zinc/54/74/70/555547470.db2.gz KBXAJVANAVAWLX-HAWMADMCSA-N 0 0 440.524 5.834 50 30 IKEARN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000720200 555549657 /nfs/dbraw/zinc/54/96/57/555549657.db2.gz WVEJDHWOZRMKDJ-QFIPXVFZSA-N 0 0 426.944 5.893 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 ZINC000000720843 555549925 /nfs/dbraw/zinc/54/99/25/555549925.db2.gz HDMIDZMGSQUFQA-SONOPUAISA-N 0 0 446.506 6.031 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000000723971 555550815 /nfs/dbraw/zinc/55/08/15/555550815.db2.gz RPEXZPCNTZUVJG-HXUWFJFHSA-N 0 0 439.346 5.910 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1O ZINC000000729456 555552556 /nfs/dbraw/zinc/55/25/56/555552556.db2.gz GNKHAOYTTTZSRO-LFPIHBKWSA-N 0 0 448.544 5.450 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000000756485 555554166 /nfs/dbraw/zinc/55/41/66/555554166.db2.gz LBXRTSABDOEHLK-OAQYLSRUSA-N 0 0 441.325 5.400 50 30 IKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccs1 ZINC000000781598 555555269 /nfs/dbraw/zinc/55/52/69/555555269.db2.gz CPBIHIHWHZSILW-VOIUYBSRSA-N 0 0 437.561 5.070 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781195 555555279 /nfs/dbraw/zinc/55/52/79/555555279.db2.gz ITXHUVWRPATFIF-QRQCRPRQSA-N 0 0 425.525 5.200 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1O ZINC000000795659 555557934 /nfs/dbraw/zinc/55/79/34/555557934.db2.gz TUOCHJKUFIMDRA-SANMLTNESA-N 0 0 440.499 5.218 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000000797810 555558727 /nfs/dbraw/zinc/55/87/27/555558727.db2.gz GHXRYOQNKCPDCB-NRFANRHFSA-N 0 0 431.875 5.341 50 30 IKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1 ZINC000000805508 555560012 /nfs/dbraw/zinc/56/00/12/555560012.db2.gz BFLSOFSVIURLKS-MMTVBGGISA-N 0 0 440.543 6.073 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000811225 555560519 /nfs/dbraw/zinc/56/05/19/555560519.db2.gz ZYVPCBFLZWXWBQ-RLWLMLJZSA-N 0 0 444.575 5.066 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000812844 555560854 /nfs/dbraw/zinc/56/08/54/555560854.db2.gz WDIGNQZYAIJBOV-XRHLQHRESA-N 0 0 444.506 5.822 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000812931 555561218 /nfs/dbraw/zinc/56/12/18/555561218.db2.gz OSQNVTKXOKFBHH-PUAOIOHZSA-N 0 0 446.934 6.034 50 30 in-vitro IKEARN CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000000815811 555562051 /nfs/dbraw/zinc/56/20/51/555562051.db2.gz TZUWKRAYJMAJJN-SSOJOUAXSA-N 0 0 430.529 5.653 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)o1 ZINC000000821074 555563817 /nfs/dbraw/zinc/56/38/17/555563817.db2.gz BMNWLYWOLFZPFA-NFQMXDRXSA-N 0 0 445.559 5.826 50 30 IKEARN COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OCc1ccccc1 ZINC000000827332 555565407 /nfs/dbraw/zinc/56/54/07/555565407.db2.gz HYQAPMKZNUWBAS-BRJLIKDPSA-N 0 0 439.309 5.869 50 30 IKEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccccc1 ZINC000000832786 555566657 /nfs/dbraw/zinc/56/66/57/555566657.db2.gz FDFIYZCFKGQPDP-JFLMPSFJSA-N 0 0 445.544 5.275 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000844371 555568685 /nfs/dbraw/zinc/56/86/85/555568685.db2.gz AAZBNMRMPZSCQJ-VWLOTQADSA-N 0 0 429.560 5.385 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1 ZINC000000856554 555571427 /nfs/dbraw/zinc/57/14/27/555571427.db2.gz LZWMCIHUFKFIJD-XHCCPWGMSA-N 0 0 442.584 6.397 50 30 IKEARN CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1O ZINC000000857615 555571622 /nfs/dbraw/zinc/57/16/22/555571622.db2.gz SNUMIEZPTBRLEA-RUZDIDTESA-N 0 0 434.536 5.344 50 30 IKEARN COc1ccc(Br)cc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000861340 555572356 /nfs/dbraw/zinc/57/23/56/555572356.db2.gz ZKGXJKIIAPUVFS-OAQYLSRUSA-N 0 0 427.342 5.680 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000000861346 555572384 /nfs/dbraw/zinc/57/23/84/555572384.db2.gz IXPGNTPEPUTNDM-DWXRJYCRSA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000000861121 555572391 /nfs/dbraw/zinc/57/23/91/555572391.db2.gz FLWSURSIFHMWID-MRDQGFSESA-N 0 0 441.487 5.583 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000861072 555572406 /nfs/dbraw/zinc/57/24/06/555572406.db2.gz YROSDODVBIPNCI-FNZWTVRRSA-N 0 0 445.534 5.673 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000861069 555572409 /nfs/dbraw/zinc/57/24/09/555572409.db2.gz YROSDODVBIPNCI-FQRUVTKNSA-N 0 0 445.534 5.673 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2F)cc1 ZINC000000883132 555578109 /nfs/dbraw/zinc/57/81/09/555578109.db2.gz LBODXLCIFUOJRU-YHAMSUFESA-N 0 0 432.470 5.953 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1OC ZINC000000883388 555578372 /nfs/dbraw/zinc/57/83/72/555578372.db2.gz BXJTUGWLCUHXTK-WHLCRQNOSA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc(Br)cc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 ZINC000000885412 555578826 /nfs/dbraw/zinc/57/88/26/555578826.db2.gz IOJWAUVDOMDKPJ-HSZRJFAPSA-N 0 0 435.321 5.679 50 30 IKEARN COc1cccc([C@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000893675 555579996 /nfs/dbraw/zinc/57/99/96/555579996.db2.gz IQINLGKEWVTTPJ-HFJWLAOPSA-N 0 0 430.935 6.328 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 ZINC000000909360 555582244 /nfs/dbraw/zinc/58/22/44/555582244.db2.gz XEWNTSPCWZVDPT-NRFANRHFSA-N 0 0 433.470 5.549 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000000986588 555594995 /nfs/dbraw/zinc/59/49/95/555594995.db2.gz ZTASUGYKTPNPGU-SIBVEZHUSA-N 0 0 442.584 6.305 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccc(C)c(Cl)c1 ZINC000000992443 555596898 /nfs/dbraw/zinc/59/68/98/555596898.db2.gz KTPDPPXJUVXQGD-KHUIZHDGSA-N 0 0 441.984 5.412 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C ZINC000000992347 555596935 /nfs/dbraw/zinc/59/69/35/555596935.db2.gz TVEUZCVLQJDPAK-VGTHCDORSA-N 0 0 435.593 5.573 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000001010064 555601653 /nfs/dbraw/zinc/60/16/53/555601653.db2.gz NBXXVQZRWGQZNE-NRFANRHFSA-N 0 0 441.453 5.015 50 30 IKEARN CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000001021102 555603632 /nfs/dbraw/zinc/60/36/32/555603632.db2.gz JKAHSOXJGAFGCN-ZVHZXABRSA-N 0 0 437.293 5.377 50 30 IKEARN N#Cc1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1-c1cccs1)CCCC2 ZINC000001026136 555604420 /nfs/dbraw/zinc/60/44/20/555604420.db2.gz PRUNQBVAAQICCY-UHFFFAOYSA-N 0 0 434.542 5.264 50 30 IKEARN COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001035426 555607780 /nfs/dbraw/zinc/60/77/80/555607780.db2.gz AGPRFILCGZLNLP-QHCPKHFHSA-N 0 0 429.520 5.096 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccc(N(C)C)cc1)N2 ZINC000001041021 555609923 /nfs/dbraw/zinc/60/99/23/555609923.db2.gz BCPIAOICEJLSCK-RUZDIDTESA-N 0 0 426.564 5.556 50 30 IKEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000001046307 555610796 /nfs/dbraw/zinc/61/07/96/555610796.db2.gz VOBNOMJLKJIYCY-UPVQGACJSA-N 0 0 438.445 6.178 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccs1 ZINC000001066838 555618742 /nfs/dbraw/zinc/61/87/42/555618742.db2.gz SEFUVLYZRQMWHS-IVZQSRNASA-N 0 0 427.953 5.326 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccs1 ZINC000001066828 555618774 /nfs/dbraw/zinc/61/87/74/555618774.db2.gz SEFUVLYZRQMWHS-NYHFZMIOSA-N 0 0 427.953 5.326 50 30 IKEARN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1C#N ZINC000001097086 555628013 /nfs/dbraw/zinc/62/80/13/555628013.db2.gz GSTVBPWOPYZSMG-VUTHCHCSSA-N 0 0 441.531 5.123 50 30 IKEARN O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1)N1CCc2ccccc21 ZINC000001097887 555628060 /nfs/dbraw/zinc/62/80/60/555628060.db2.gz MHCNBNAVEQKDDR-YZSQISJMSA-N 0 0 428.513 5.047 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107160 555629627 /nfs/dbraw/zinc/62/96/27/555629627.db2.gz RFRLKHBOFUCJLI-CRICUBBOSA-N 0 0 445.906 6.228 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120531 555637291 /nfs/dbraw/zinc/63/72/91/555637291.db2.gz COVPLLUFWZDQIK-GMAHTHKFSA-N 0 0 433.548 5.050 50 30 IKEARN NC1=C(C(=O)c2ccccc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1c1ccccc1 ZINC000001126440 555641082 /nfs/dbraw/zinc/64/10/82/555641082.db2.gz DEYAMEJWYONLPR-QHCPKHFHSA-N 0 0 426.541 5.412 50 30 IKEARN CSc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000001130361 555643880 /nfs/dbraw/zinc/64/38/80/555643880.db2.gz KUGQVAHDEZEQDF-ACSYHNTCSA-N 0 0 448.591 7.024 50 30 IKEARN CSc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001130367 555643954 /nfs/dbraw/zinc/64/39/54/555643954.db2.gz KUGQVAHDEZEQDF-AFJIDDCJSA-N 0 0 448.591 7.024 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000001132873 555645680 /nfs/dbraw/zinc/64/56/80/555645680.db2.gz QHBICNYMJNTCBC-RBZFPXEDSA-N 0 0 432.303 5.121 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000001132844 555645724 /nfs/dbraw/zinc/64/57/24/555645724.db2.gz OAGBZAFLRCGTBD-VFNWGFHPSA-N 0 0 445.437 5.223 50 30 IKEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000001145717 555653287 /nfs/dbraw/zinc/65/32/87/555653287.db2.gz YYOIKJDQMGWVTK-LUOAPIJWSA-N 0 0 440.334 5.454 50 30 IKEARN Cc1ccc2nc(-c3ccc(NC=C4C(=O)CC(c5ccco5)CC4=O)cc3)sc2c1 ZINC000001148616 555654923 /nfs/dbraw/zinc/65/49/23/555654923.db2.gz PAMZHOATHAPULR-UHFFFAOYSA-N 0 0 428.513 5.876 50 30 IKEARN Cc1ccc2nc(-c3ccc(NC=C4C(=O)CC(c5cccs5)CC4=O)cc3)sc2c1 ZINC000001148706 555655302 /nfs/dbraw/zinc/65/53/02/555655302.db2.gz WDWCGQUTDGNYAW-UHFFFAOYSA-N 0 0 444.581 6.345 50 30 IKEARN CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc(F)c2)C2=C1CCCC2=O ZINC000001158350 555660181 /nfs/dbraw/zinc/66/01/81/555660181.db2.gz IXHRQLNJTPUJLS-UHFFFAOYSA-N 0 0 445.534 5.838 50 30 IKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000001168294 555665290 /nfs/dbraw/zinc/66/52/90/555665290.db2.gz QKMJRMXNJBXEJF-HSZRJFAPSA-N 0 0 436.502 5.516 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 ZINC000001169241 555665631 /nfs/dbraw/zinc/66/56/31/555665631.db2.gz OKUJJDNMJVPNGC-JOCHJYFZSA-N 0 0 425.326 5.366 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 ZINC000001169242 555665941 /nfs/dbraw/zinc/66/59/41/555665941.db2.gz OKUJJDNMJVPNGC-QFIPXVFZSA-N 0 0 425.326 5.366 50 30 IKEARN O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000001170841 555666420 /nfs/dbraw/zinc/66/64/20/555666420.db2.gz BVOIPXPHYXLSCY-DXPJPUQTSA-N 0 0 444.918 6.048 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001174863 555669217 /nfs/dbraw/zinc/66/92/17/555669217.db2.gz VJZJITIIANLCTI-HXUWFJFHSA-N 0 0 428.504 5.269 50 30 IKEARN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(Br)cc1 ZINC000001191439 555675822 /nfs/dbraw/zinc/67/58/22/555675822.db2.gz GDSCIDHNTHTSNE-OAQYLSRUSA-N 0 0 449.373 5.262 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001198566 555677670 /nfs/dbraw/zinc/67/76/70/555677670.db2.gz XPTURDIPIQPZTM-HSZRJFAPSA-N 0 0 433.508 5.394 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000001199306 555677903 /nfs/dbraw/zinc/67/79/03/555677903.db2.gz MMIJTDNGKZNQHE-XHCCPWGMSA-N 0 0 442.946 6.261 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl ZINC000001201884 555678748 /nfs/dbraw/zinc/67/87/48/555678748.db2.gz NICAULMNTWUNIH-QRQCRPRQSA-N 0 0 442.342 5.528 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000001202689 555679076 /nfs/dbraw/zinc/67/90/76/555679076.db2.gz LGJDTSPXJNLJLU-KSFYIVLOSA-N 0 0 442.342 5.528 50 30 IKEARN CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000001213582 555683042 /nfs/dbraw/zinc/68/30/42/555683042.db2.gz INMBJBTYRUWKEK-PFBJBMPXSA-N 0 0 445.522 5.370 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Br)C2=C(CCCC2=O)N1 ZINC000001213397 555683080 /nfs/dbraw/zinc/68/30/80/555683080.db2.gz GMUGSLOUSBOHRG-NRFANRHFSA-N 0 0 444.369 5.293 50 30 IKEARN Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001216816 555684210 /nfs/dbraw/zinc/68/42/10/555684210.db2.gz XLAHUQIIMZNDHU-AFMDSPMNSA-N 0 0 425.488 5.883 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC ZINC000001217622 555684489 /nfs/dbraw/zinc/68/44/89/555684489.db2.gz VGEDZCPHLUUQHL-WTYVLRPYSA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC ZINC000001217621 555684493 /nfs/dbraw/zinc/68/44/93/555684493.db2.gz VGEDZCPHLUUQHL-MMTVBGGISA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC ZINC000001217620 555684494 /nfs/dbraw/zinc/68/44/94/555684494.db2.gz VGEDZCPHLUUQHL-PIIWDFAUSA-N 0 0 440.543 5.992 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1 ZINC000001220246 555685727 /nfs/dbraw/zinc/68/57/27/555685727.db2.gz YLQHGMDPTJHSMS-MHZLTWQESA-N 0 0 437.539 5.594 50 30 IKEARN COc1cc(OC)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001264572 555688397 /nfs/dbraw/zinc/68/83/97/555688397.db2.gz YPADTQSWVQUGSH-RUZDIDTESA-N 0 0 436.552 5.551 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3ccc(F)cc3)C12 ZINC000001283532 555688976 /nfs/dbraw/zinc/68/89/76/555688976.db2.gz FIEVFKJHBBKHDW-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN CC1=Nc2ccccc2NC(=NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000001316415 555689687 /nfs/dbraw/zinc/68/96/87/555689687.db2.gz FJOTZLTVHBWUEO-OAQYLSRUSA-N 0 0 432.867 5.789 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000001409135 555694029 /nfs/dbraw/zinc/69/40/29/555694029.db2.gz JQTIPGOKXZTPEI-QYBDOPJKSA-N 0 0 430.935 6.328 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000001413010 555694739 /nfs/dbraw/zinc/69/47/39/555694739.db2.gz MJCMKTPAJJWGSN-QYBDOPJKSA-N 0 0 428.601 7.025 50 30 IKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000001434742 555696519 /nfs/dbraw/zinc/69/65/19/555696519.db2.gz CAMUSSBJXLSYGW-HFJWLAOPSA-N 0 0 441.487 5.583 50 30 IKEARN COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001434756 555696846 /nfs/dbraw/zinc/69/68/46/555696846.db2.gz XEOFLJWHOWJEGJ-IDISGSTGSA-N 0 0 438.527 5.761 50 30 IKEARN CCOC(=O)c1c(NC2=CC(=O)C[C@@H](c3ccc(OC)cc3)C2)sc2c1CCCC2 ZINC000001444535 555698438 /nfs/dbraw/zinc/69/84/38/555698438.db2.gz PEKCAGZINQHBCG-INIZCTEOSA-N 0 0 425.550 5.255 50 30 IKEARN COc1cccc(-c2nc3cc(/N=C/c4cc(C)cc(Br)c4O)ccc3o2)c1 ZINC000001444751 555698467 /nfs/dbraw/zinc/69/84/67/555698467.db2.gz UGNFDYDGQHGOKA-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001445385 555698676 /nfs/dbraw/zinc/69/86/76/555698676.db2.gz QDJOTKIJRDKOTD-NRFANRHFSA-N 0 0 448.862 5.340 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1nnc(SCc2ccccc2)s1 ZINC000001446023 555698996 /nfs/dbraw/zinc/69/89/96/555698996.db2.gz NYAUVVODFAMQDT-GOSISDBHSA-N 0 0 447.585 5.358 50 30 IKEARN CCn1c2ccccc2c2cc(/C=N/N=C/c3ccc4c(c3)c3ccccc3n4CC)ccc21 ZINC000001580331 555704188 /nfs/dbraw/zinc/70/41/88/555704188.db2.gz KCJZDFJMCCVCNA-GKTLAHRSSA-N 0 0 442.566 7.395 50 30 IKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1 ZINC000002022921 555727594 /nfs/dbraw/zinc/72/75/94/555727594.db2.gz SAFXDBOAWDVEGJ-UHFFFAOYSA-N 0 0 441.527 6.510 50 30 biogenic IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000002055267 555730292 /nfs/dbraw/zinc/73/02/92/555730292.db2.gz AYGHXYLBSIVJOB-NRFANRHFSA-N 0 0 449.513 6.043 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000002055151 555730334 /nfs/dbraw/zinc/73/03/34/555730334.db2.gz XUSXREMOXJOAHW-DEOSSOPVSA-N 0 0 441.568 5.185 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000002055225 555730360 /nfs/dbraw/zinc/73/03/60/555730360.db2.gz LXLRCOUHSWCKQG-JOCHJYFZSA-N 0 0 427.972 5.820 50 30 IKEARN CCCCCCCOC(=O)CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002062905 555732515 /nfs/dbraw/zinc/73/25/15/555732515.db2.gz GERYNCYRCGOMNL-UHFFFAOYSA-N 0 0 441.138 5.410 50 30 IKEARN CCCCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002063478 555732826 /nfs/dbraw/zinc/73/28/26/555732826.db2.gz DIROGGFVUDXQJR-NDEPHWFRSA-N 0 0 425.572 7.328 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000002063029 555732838 /nfs/dbraw/zinc/73/28/38/555732838.db2.gz OPKVJJOYHAOZBQ-SSEXGKCCSA-N 0 0 445.562 7.942 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000002063820 555733098 /nfs/dbraw/zinc/73/30/98/555733098.db2.gz OCINQIBDNMBAJJ-LJAQVGFWSA-N 0 0 430.551 7.211 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002066167 555733385 /nfs/dbraw/zinc/73/33/85/555733385.db2.gz BGXNTKHLBHZYLC-FQEVSTJZSA-N 0 0 436.379 5.941 50 30 IKEARN CC(C)(C)c1cc(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000002066496 555733712 /nfs/dbraw/zinc/73/37/12/555733712.db2.gz WZZZRMIDDQGNHY-OCSSWDANSA-N 0 0 437.668 8.038 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002069367 555734302 /nfs/dbraw/zinc/73/43/02/555734302.db2.gz CDOAWUQVYHTJJX-QFIPXVFZSA-N 0 0 427.972 5.820 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002073018 555735146 /nfs/dbraw/zinc/73/51/46/555735146.db2.gz NEUHYIQTLUDKOE-ZHRRBRCNSA-N 0 0 441.980 5.716 50 30 IKEARN CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 ZINC000002079029 555736651 /nfs/dbraw/zinc/73/66/51/555736651.db2.gz WYDDLYAVIBBEBW-UHFFFAOYSA-N 0 0 440.971 6.067 50 30 IKEARN O=C(Nc1ccc(/N=C/C=C/c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000002091567 555741123 /nfs/dbraw/zinc/74/11/23/555741123.db2.gz RKVOIYPIDGWDSG-PICHSDEKSA-N 0 0 429.734 7.315 50 30 IKEARN COc1ccc(/C=N/OC(=O)Cc2ccc(Cl)cc2)cc1COc1ccc(F)cc1 ZINC000002098009 555742390 /nfs/dbraw/zinc/74/23/90/555742390.db2.gz VFOVBPHKDBAUBH-VULFUBBASA-N 0 0 427.859 5.187 50 30 IKEARN C=CCc1cc(/C=C2/S/C(=N\c3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O ZINC000002155962 555750279 /nfs/dbraw/zinc/75/02/79/555750279.db2.gz DOXZLRUSQVIDQR-YBFXNURJSA-N 0 0 428.941 5.373 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000002161855 555750949 /nfs/dbraw/zinc/75/09/49/555750949.db2.gz UDGAXPRWOLJBBQ-UNOMPAQXSA-N 0 0 447.915 5.679 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1OC ZINC000002168266 555751422 /nfs/dbraw/zinc/75/14/22/555751422.db2.gz QLXKSMIXXCMNAE-DMDNQVQLSA-N 0 0 442.968 5.764 50 30 IKEARN COc1cc(C)c(/C=C2/S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C ZINC000002186225 555755205 /nfs/dbraw/zinc/75/52/05/555755205.db2.gz QEKANXFTDOFSFP-YCJCGMCGSA-N 0 0 434.605 6.674 50 30 IKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000002184907 555755226 /nfs/dbraw/zinc/75/52/26/555755226.db2.gz NIVJVGWEIQFBNK-HZHRSRAPSA-N 0 0 430.529 5.474 50 30 IKEARN CCCCNC(=O)CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1 ZINC000002188048 555755872 /nfs/dbraw/zinc/75/58/72/555755872.db2.gz HJSUGTMSMSAVIU-VULFUBBASA-N 0 0 449.601 5.914 50 30 IKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000002190441 555756271 /nfs/dbraw/zinc/75/62/71/555756271.db2.gz SAPYUMSWCLGZQY-VWLOTQADSA-N 0 0 447.531 5.027 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cc4ccccc4)cc3)C12 ZINC000002205724 555757778 /nfs/dbraw/zinc/75/77/78/555757778.db2.gz XKKXPGMMSLTORG-GDLZYMKVSA-N 0 0 431.560 7.144 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000002280401 555765287 /nfs/dbraw/zinc/76/52/87/555765287.db2.gz WDDKZGKEVYQYHL-ZMOGYAJESA-N 0 0 441.343 6.215 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000002296713 555766185 /nfs/dbraw/zinc/76/61/85/555766185.db2.gz GUZYPJMBECRBKG-HSZRJFAPSA-N 0 0 425.569 5.423 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(CCc4ccccc4)cc3)C12 ZINC000002348120 555770858 /nfs/dbraw/zinc/77/08/58/555770858.db2.gz BIBKQYYOUMZJDV-PMERELPUSA-N 0 0 445.587 7.338 50 30 IKEARN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H]2CO2)c2ccccc12 ZINC000002442670 555779668 /nfs/dbraw/zinc/77/96/68/555779668.db2.gz FBNOVRADKNFNTI-DEOSSOPVSA-N 0 0 439.555 6.426 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000002452347 555782061 /nfs/dbraw/zinc/78/20/61/555782061.db2.gz MGHOXOZVJZEQJO-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN CCCCc1c(CCCC)c(-c2ccc(/C=N/O)s2)sc1-c1ccc(/C=N/O)s1 ZINC000002518941 555785503 /nfs/dbraw/zinc/78/55/03/555785503.db2.gz BODIXFLCTGIJKP-RNIAWFEPSA-N 0 0 446.663 7.507 50 30 IKEARN Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000002542852 555786713 /nfs/dbraw/zinc/78/67/13/555786713.db2.gz PMZREBIGXYJPPZ-WPWMEQJKSA-N 0 0 439.540 5.688 50 30 IKEARN COc1cc(/C=N/NC(=S)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000002543732 555786946 /nfs/dbraw/zinc/78/69/46/555786946.db2.gz CRUWHEOHYLWAPL-AFUMVMLFSA-N 0 0 439.968 5.557 50 30 IKEARN COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000002549055 555786991 /nfs/dbraw/zinc/78/69/91/555786991.db2.gz RZWAHTGGSSNXIY-IZZNHLLZSA-N 0 0 439.942 7.166 50 30 IKEARN CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(OC(=O)c2ccc(Cl)cc2)C1 ZINC000002570718 555787847 /nfs/dbraw/zinc/78/78/47/555787847.db2.gz HCGGXWLPAVGAIW-UHFFFAOYSA-N 0 0 431.897 5.798 50 30 IKEARN COc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000002584253 555788936 /nfs/dbraw/zinc/78/89/36/555788936.db2.gz FOSOJOKQJFZOKV-RWRHWQIFSA-N 0 0 448.566 6.990 50 30 IKEARN C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667495 555791732 /nfs/dbraw/zinc/79/17/32/555791732.db2.gz YPWTUUKWFBFQLO-DCFHFQCYSA-N 0 0 444.550 5.043 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC=CCc4ccccc4OC)c3c2C1 ZINC000002686994 555798789 /nfs/dbraw/zinc/79/87/89/555798789.db2.gz OQMKVRXONMWMOV-YREGJCEZSA-N 0 0 434.609 6.352 50 30 IKEARN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1cccc(OC(F)(F)C(F)F)c1 ZINC000002753298 555810972 /nfs/dbraw/zinc/81/09/72/555810972.db2.gz YFBXEYOMDIIDBL-UHFFFAOYSA-N 0 0 449.278 5.301 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000002762199 555813156 /nfs/dbraw/zinc/81/31/56/555813156.db2.gz SXMZLGGLKKFOMY-ZHRRBRCNSA-N 0 0 425.525 5.202 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002772130 555816042 /nfs/dbraw/zinc/81/60/42/555816042.db2.gz VWUKHNZLIVHJRM-HSZRJFAPSA-N 0 0 425.544 5.696 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OCCO ZINC000002773363 555816404 /nfs/dbraw/zinc/81/64/04/555816404.db2.gz PQDRYJRFUAPZNV-MHZLTWQESA-N 0 0 429.516 5.283 50 30 IKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000002784241 555820177 /nfs/dbraw/zinc/82/01/77/555820177.db2.gz HRYVBDGISUPMBJ-SANMLTNESA-N 0 0 445.559 5.400 50 30 IKEARN CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)NC3=O)c2C)cc1 ZINC000002795139 555821843 /nfs/dbraw/zinc/82/18/43/555821843.db2.gz VOHVSKPGZYWERK-JJIBRWJFSA-N 0 0 429.589 6.328 50 30 IKEARN COc1ccc([C@@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)cc1Br ZINC000002798932 555823728 /nfs/dbraw/zinc/82/37/28/555823728.db2.gz RYHMRNPSEHFXSY-QHCPKHFHSA-N 0 0 434.333 6.284 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc3ccccc32)C2=C(CC(C)(C)CC2=O)N1 ZINC000002801352 555824544 /nfs/dbraw/zinc/82/45/44/555824544.db2.gz KZZYBQRJDRGBDO-SANMLTNESA-N 0 0 443.587 6.320 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(OC)c2)n1 ZINC000034712192 555825554 /nfs/dbraw/zinc/82/55/54/555825554.db2.gz PPFNTIDYMHPPDJ-UHFFFAOYSA-N 0 0 448.466 5.332 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1 ZINC000034712517 555825821 /nfs/dbraw/zinc/82/58/21/555825821.db2.gz XLDSQYORQPJOBC-UHFFFAOYSA-N 0 0 449.359 5.620 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)n1 ZINC000034713439 555826635 /nfs/dbraw/zinc/82/66/35/555826635.db2.gz KBGMPKLAAVNADN-UHFFFAOYSA-N 0 0 436.430 5.463 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O ZINC000002807315 555826996 /nfs/dbraw/zinc/82/69/96/555826996.db2.gz OYOOXVFUTXGTNZ-GZAOZUBMSA-N 0 0 430.529 5.826 50 30 IKEARN C(=N/c1cccc2c(/N=C/c3ccc4ccccc4c3)cccc12)\c1ccc2ccccc2c1 ZINC000002816313 555828747 /nfs/dbraw/zinc/82/87/47/555828747.db2.gz QJUOZEIMYHONIX-WXGDAXOSSA-N 0 0 434.542 8.647 50 30 IKEARN CCOc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc(Cl)c1OC(C)=O ZINC000002821771 555829878 /nfs/dbraw/zinc/82/98/78/555829878.db2.gz BJMVLERFDMGDIL-YVLHZVERSA-N 0 0 447.965 5.568 50 30 IKEARN N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000002835462 555832614 /nfs/dbraw/zinc/83/26/14/555832614.db2.gz JEFKSJFYIBGQKO-NDEPHWFRSA-N 0 0 432.523 6.173 50 30 IKEARN CC(C)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C(C)C)cc4)cc3)cc2)cc1 ZINC000002839326 555834605 /nfs/dbraw/zinc/83/46/05/555834605.db2.gz FHCDUUMDYAMSLX-WXGDAXOSSA-N 0 0 444.622 9.102 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000002844517 555836929 /nfs/dbraw/zinc/83/69/29/555836929.db2.gz HSRHEDXSOZKCBK-VFNWGFHPSA-N 0 0 445.437 5.223 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000002844518 555837022 /nfs/dbraw/zinc/83/70/22/555837022.db2.gz HSRHEDXSOZKCBK-QVKFZJNVSA-N 0 0 445.437 5.223 50 30 IKEARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)NC(Nc2ccc(Cl)cc2Cl)=N1 ZINC000002861679 555845111 /nfs/dbraw/zinc/84/51/11/555845111.db2.gz FJCSJUUHDWLHCA-CQSZACIVSA-N 0 0 446.121 5.245 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000002865441 555846687 /nfs/dbraw/zinc/84/66/87/555846687.db2.gz XCQYTDYOONTSMC-SFHVURJKSA-N 0 0 439.298 5.938 50 30 IKEARN Cc1ccsc1/C=N/c1ccc(-c2ccc(/N=C/c3sccc3C)c(C)c2)cc1C ZINC000002895016 555860181 /nfs/dbraw/zinc/86/01/81/555860181.db2.gz JMCJBVOXUVVAEW-DPCVLPDWSA-N 0 0 428.626 8.211 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 ZINC000002927011 555863780 /nfs/dbraw/zinc/86/37/80/555863780.db2.gz BACMQGSHIULFSS-CPJSRVTESA-N 0 0 431.532 5.010 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000002927013 555863789 /nfs/dbraw/zinc/86/37/89/555863789.db2.gz BACMQGSHIULFSS-NBGIEHNGSA-N 0 0 431.532 5.010 50 30 IKEARN O=C(COc1c(F)c(F)c(C(F)(F)F)c(F)c1F)Nc1ccc(Cl)c(Cl)c1 ZINC000002972138 555869744 /nfs/dbraw/zinc/86/97/44/555869744.db2.gz GOLSBDVZWNQVNI-UHFFFAOYSA-N 0 0 436.110 5.586 50 30 IKEARN NC(=S)N/N=C/C1=C(c2ccccc2)S[C@H](c2ccccc2)C(Cc2ccccc2)=C1 ZINC000002981298 555872195 /nfs/dbraw/zinc/87/21/95/555872195.db2.gz SHIMQAFXPKRXRL-WVWWYIFQSA-N 0 0 441.625 5.874 50 30 IKEARN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000002997580 555876367 /nfs/dbraw/zinc/87/63/67/555876367.db2.gz XZZQAAPHFLQVLN-UHFFFAOYSA-N 0 0 448.559 5.498 50 30 IKEARN O/N=C/c1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000002999299 555877304 /nfs/dbraw/zinc/87/73/04/555877304.db2.gz PDHPYWNJTHUSSJ-XMQIJXBMSA-N 0 0 429.303 5.349 50 30 IKEARN C=CCOc1ccccc1CN(Cc1cc(=O)n2ccsc2n1)c1ccc(C)c(C)c1 ZINC000010547180 555881458 /nfs/dbraw/zinc/88/14/58/555881458.db2.gz SKIZZHJTMCWWGJ-UHFFFAOYSA-N 0 0 431.561 5.144 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000003098432 555886389 /nfs/dbraw/zinc/88/63/89/555886389.db2.gz AVKQDJNVEBZLAT-RUZDIDTESA-N 0 0 431.532 5.187 50 30 IKEARN COc1cc(/C=N/c2cccc3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003112018 555888548 /nfs/dbraw/zinc/88/85/48/555888548.db2.gz RNBUMJQTGZZVIV-MFKUBSTISA-N 0 0 443.415 6.208 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1 ZINC000003639562 555943071 /nfs/dbraw/zinc/94/30/71/555943071.db2.gz XGTVBDHKQSNKBC-BVZFJXPGSA-N 0 0 449.522 5.149 50 30 IKEARN CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccc(Br)cc1 ZINC000003663429 555944817 /nfs/dbraw/zinc/94/48/17/555944817.db2.gz QMFPWFXXGAFWBE-NMWGTECJSA-N 0 0 428.399 6.340 50 30 IKEARN N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCCC2 ZINC000003666067 555945085 /nfs/dbraw/zinc/94/50/85/555945085.db2.gz BIUDHHGXKJUKGD-UVHMKAGCSA-N 0 0 441.383 7.135 50 30 IKEARN CC(C)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000003666420 555945242 /nfs/dbraw/zinc/94/52/42/555945242.db2.gz NTITWBAYXKMOTE-FUQOYWQNSA-N 0 0 442.584 6.526 50 30 IKEARN Cc1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Br)c1 ZINC000003764747 555946090 /nfs/dbraw/zinc/94/60/90/555946090.db2.gz PMQZGZMVOJZKGH-UHFFFAOYSA-N 0 0 433.301 5.799 50 30 IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004043997 555955157 /nfs/dbraw/zinc/95/51/57/555955157.db2.gz LPRZIIKGLMNTQR-LVXARBLLSA-N 0 0 444.575 5.067 50 30 IKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004043961 555955196 /nfs/dbraw/zinc/95/51/96/555955196.db2.gz CDZJJLMRMQTLMI-VWLOTQADSA-N 0 0 436.596 5.377 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004060363 555956237 /nfs/dbraw/zinc/95/62/37/555956237.db2.gz NEPCHUHGUTUJFW-UQBPGWFLSA-N 0 0 431.532 5.010 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004064667 555957193 /nfs/dbraw/zinc/95/71/93/555957193.db2.gz MQCRGRCXXRGJAF-IBVKSMDESA-N 0 0 445.559 5.400 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004064661 555957201 /nfs/dbraw/zinc/95/72/01/555957201.db2.gz MQCRGRCXXRGJAF-FNZWTVRRSA-N 0 0 445.559 5.400 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1 ZINC000004064694 555957228 /nfs/dbraw/zinc/95/72/28/555957228.db2.gz GTAYUCKXHAMCRM-YUDQIZAISA-N 0 0 446.550 6.828 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004064662 555957235 /nfs/dbraw/zinc/95/72/35/555957235.db2.gz MQCRGRCXXRGJAF-RXFWQSSRSA-N 0 0 445.559 5.400 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1 ZINC000004064911 555957396 /nfs/dbraw/zinc/95/73/96/555957396.db2.gz MXFDBTUHCCBVNF-DNOBIOAJSA-N 0 0 426.516 5.683 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000004065500 555957451 /nfs/dbraw/zinc/95/74/51/555957451.db2.gz WPJSWEYGXJTELH-IVCQMTBJSA-N 0 0 435.354 6.973 50 30 IKEARN CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004065486 555957479 /nfs/dbraw/zinc/95/74/79/555957479.db2.gz FEAIPHNAYUBJNB-KCWXNJEJSA-N 0 0 438.571 6.845 50 30 IKEARN Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl ZINC000004075230 555958384 /nfs/dbraw/zinc/95/83/84/555958384.db2.gz OMRFIMYKQSDBHP-IBGZPJMESA-N 0 0 442.346 5.303 50 30 IKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000004075114 555958391 /nfs/dbraw/zinc/95/83/91/555958391.db2.gz CFAAYVLWXFPNFY-XRHLQHRESA-N 0 0 440.499 5.403 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000004082201 555958857 /nfs/dbraw/zinc/95/88/57/555958857.db2.gz WGXUZVDOIBYSGG-JOCHJYFZSA-N 0 0 443.360 6.427 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 ZINC000004080031 555958883 /nfs/dbraw/zinc/95/88/83/555958883.db2.gz IENZLPCPVYGBNZ-CPJLOUKISA-N 0 0 435.354 6.973 50 30 IKEARN Cc1ccc2occ([C@@H]3Nc4cc(C)c(C)cc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 ZINC000004081886 555958939 /nfs/dbraw/zinc/95/89/39/555958939.db2.gz LXUSMDMQPSEYKW-VWLOTQADSA-N 0 0 428.532 5.940 50 30 biogenic IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000004082016 555958956 /nfs/dbraw/zinc/95/89/56/555958956.db2.gz GUPPYNAVRNACFU-SSOJOUAXSA-N 0 0 435.354 6.973 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])o2)cc1 ZINC000004402972 555992925 /nfs/dbraw/zinc/99/29/25/555992925.db2.gz VRGBYQUSAQYZMH-OYLFLEFRSA-N 0 0 431.448 5.176 50 30 IKEARN O=[N+]([O-])c1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1 ZINC000004577685 556002714 /nfs/dbraw/zinc/00/27/14/556002714.db2.gz AMFHUDPQIPHXIT-NHDPSOOVSA-N 0 0 438.241 5.007 50 30 IKEARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794659 556012139 /nfs/dbraw/zinc/01/21/39/556012139.db2.gz ZMXMKVXAUOBSMP-FQEVSTJZSA-N 0 0 442.353 5.667 50 30 IKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000005092529 556032009 /nfs/dbraw/zinc/03/20/09/556032009.db2.gz KNSLAUYCFAAQEL-PPHZAIPVSA-N 0 0 427.548 6.105 50 30 IKEARN CCOc1cc(/C=N/c2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000005948633 556070481 /nfs/dbraw/zinc/07/04/81/556070481.db2.gz LNNYDECEZJUGGH-WSDLNYQXSA-N 0 0 442.269 5.694 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000006137158 556076984 /nfs/dbraw/zinc/07/69/84/556076984.db2.gz PNVVJAWMSSGWSM-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(/C)c1ccc(F)cc1 ZINC000006142420 556077478 /nfs/dbraw/zinc/07/74/78/556077478.db2.gz QEDZPCJTDQBXSY-NOQLHCICSA-N 0 0 449.473 5.297 50 30 IKEARN Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=[NH+][N-]c1ccc(C(F)(F)F)cn1 ZINC000006143140 556077821 /nfs/dbraw/zinc/07/78/21/556077821.db2.gz AKJZKLKZGKQJGI-JFLMPSFJSA-N 0 0 428.462 5.031 50 30 IKEARN CC(C)c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 ZINC000006190763 556080007 /nfs/dbraw/zinc/08/00/07/556080007.db2.gz IGFFUMXCISPLTO-WGOQTCKBSA-N 0 0 433.535 5.314 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000006407937 556086945 /nfs/dbraw/zinc/08/69/45/556086945.db2.gz GFBWHKMHZFPNDT-NYHFZMIOSA-N 0 0 427.591 5.431 50 30 IKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1 ZINC000006498690 556091813 /nfs/dbraw/zinc/09/18/13/556091813.db2.gz COFDEJPZEYLXTK-QUGAMOGWSA-N 0 0 428.488 5.112 50 30 IKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=N)Cc1ccc(Cl)cc1Cl ZINC000006767005 556103612 /nfs/dbraw/zinc/10/36/12/556103612.db2.gz IZRCEWYPEFIOHA-UHFFFAOYSA-N 0 0 438.698 5.282 50 30 IKEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000002789859 556139312 /nfs/dbraw/zinc/13/93/12/556139312.db2.gz APCMPYHQNMBVTN-QPSGOUHRSA-N 0 0 433.267 5.299 50 30 IKEARN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c(N)c21 ZINC000002791568 556144060 /nfs/dbraw/zinc/14/40/60/556144060.db2.gz IBQPVUIIWFQMDK-UHFFFAOYSA-N 0 0 441.303 5.154 50 30 IKEARN COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1ccc(Cl)cc1 ZINC000002791451 556144089 /nfs/dbraw/zinc/14/40/89/556144089.db2.gz NIRFWJXOEQCKEC-AUEPDCJTSA-N 0 0 438.887 5.061 50 30 IKEARN Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C(C)(C)C)C3)cnn1C ZINC000002792862 556144614 /nfs/dbraw/zinc/14/46/14/556144614.db2.gz UPQWKMYKYNVFAW-WGFYCLKKSA-N 0 0 440.657 5.754 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002889467 556147612 /nfs/dbraw/zinc/14/76/12/556147612.db2.gz JAUIPVXDVZRUEM-AWEZNQCLSA-N 0 0 438.618 5.361 50 30 IKEARN C(=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)\c1ccccc1 ZINC000008383308 556158874 /nfs/dbraw/zinc/15/88/74/556158874.db2.gz NJYHHTCFAHCIPJ-SMJITPNZSA-N 0 0 428.579 7.315 50 30 IKEARN CCCCCCCCCCCCCCc1ccc(-n2cnc(C(=O)OCC)c2N)cc1 ZINC000008383551 556159541 /nfs/dbraw/zinc/15/95/41/556159541.db2.gz MWAOEDAGBRCQPY-UHFFFAOYSA-N 0 0 427.633 6.875 50 30 IKEARN O=C(c1ccccc1)C1=C(c2ccccc2)N(c2ccccc2)C(=O)C(Cl)(Cl)C1=O ZINC000008384181 556159936 /nfs/dbraw/zinc/15/99/36/556159936.db2.gz AMLZGIBMYQKXES-UHFFFAOYSA-N 0 0 436.294 5.070 50 30 IKEARN O=C(C1=C(c2ccccc2)NC(=O)C1=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008384169 556159956 /nfs/dbraw/zinc/15/99/56/556159956.db2.gz XELGUQRKORLHHK-UHFFFAOYSA-N 0 0 427.503 5.913 50 30 IKEARN CCCCCCCCCCCCSc1nnc(SCn2nnc3ccccc32)s1 ZINC000008384764 556160624 /nfs/dbraw/zinc/16/06/24/556160624.db2.gz TVJDLIGRBLSYTO-UHFFFAOYSA-N 0 0 449.715 7.046 50 30 IKEARN CCc1c(O)c(/C(C)=N/OCc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000008384786 556160640 /nfs/dbraw/zinc/16/06/40/556160640.db2.gz JLVBJKQPWCETHB-ZTKZIYFRSA-N 0 0 438.527 5.713 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1cc(Cl)ccc1C ZINC000008385197 556161179 /nfs/dbraw/zinc/16/11/79/556161179.db2.gz UVGSRIKXBAAQKN-FNWSHLARSA-N 0 0 429.973 5.245 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(C)c(C)c1 ZINC000008385199 556161265 /nfs/dbraw/zinc/16/12/65/556161265.db2.gz VWJDRYKVGRMRDT-COPMAWBXSA-N 0 0 429.973 5.245 50 30 IKEARN CCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000008385592 556161454 /nfs/dbraw/zinc/16/14/54/556161454.db2.gz HNWOZRVCMOZARI-UHFFFAOYSA-N 0 0 428.686 8.538 50 30 IKEARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1Cl ZINC000008386567 556162166 /nfs/dbraw/zinc/16/21/66/556162166.db2.gz DFQZKDUCCMXISQ-ZVHZXABRSA-N 0 0 442.354 5.358 50 30 IKEARN CCCCCCCCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000008387356 556162401 /nfs/dbraw/zinc/16/24/01/556162401.db2.gz IYXYDPNYLVFCHX-UHFFFAOYSA-N 0 0 435.652 7.289 50 30 IKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008397018 556163953 /nfs/dbraw/zinc/16/39/53/556163953.db2.gz KPSOFTOEQSZFRM-PGGKNCGUSA-N 0 0 444.196 6.626 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1=O ZINC000008398018 556164540 /nfs/dbraw/zinc/16/45/40/556164540.db2.gz XKBBATJYPCVQNT-RMKNXTFCSA-N 0 0 426.232 5.156 50 30 IKEARN CC[C@@H](C)Oc1c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cccc1OC ZINC000008400447 556165955 /nfs/dbraw/zinc/16/59/55/556165955.db2.gz LNIFIALKAWDNAG-RKLHJIHPSA-N 0 0 440.565 5.123 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)COc1ccccc1[C@H](C)CC ZINC000008400600 556166209 /nfs/dbraw/zinc/16/62/09/556166209.db2.gz GCTKGYMPZGYYAO-RUZDIDTESA-N 0 0 431.705 8.176 50 30 IKEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000008407956 556166830 /nfs/dbraw/zinc/16/68/30/556166830.db2.gz FELINXJLPXJNFQ-DEOSSOPVSA-N 0 0 436.552 5.407 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008415099 556167742 /nfs/dbraw/zinc/16/77/42/556167742.db2.gz WYVWOVOWASGNHA-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc(Br)cc3)c(-c3ccccc3)c2c1 ZINC000008425716 556168635 /nfs/dbraw/zinc/16/86/35/556168635.db2.gz DDDWLUNZOSDSIJ-RVDMUPIBSA-N 0 0 442.356 7.177 50 30 IKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000008430442 556170532 /nfs/dbraw/zinc/17/05/32/556170532.db2.gz OMNIURFCWDFEAJ-DWXRJYCRSA-N 0 0 430.573 6.516 50 30 IKEARN CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000008431735 556171506 /nfs/dbraw/zinc/17/15/06/556171506.db2.gz IZGYIPCECYBTOM-SANMLTNESA-N 0 0 432.564 6.028 50 30 IKEARN CCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000008432072 556171555 /nfs/dbraw/zinc/17/15/55/556171555.db2.gz BZFSOUBHLWUHFZ-MHZLTWQESA-N 0 0 446.591 6.419 50 30 IKEARN CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC ZINC000008435284 556173119 /nfs/dbraw/zinc/17/31/19/556173119.db2.gz FAEMTEILVLJIER-UHFFFAOYSA-N 0 0 436.666 5.627 50 30 IKEARN CCN(CC)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000008434937 556173151 /nfs/dbraw/zinc/17/31/51/556173151.db2.gz ZAYXDIXLKPIDON-UHFFFAOYSA-N 0 0 439.596 6.019 50 30 IKEARN CCc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 ZINC000008439127 556175192 /nfs/dbraw/zinc/17/51/92/556175192.db2.gz RLIXDMXDGVQSQG-WNAAXNPUSA-N 0 0 447.581 5.608 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000008439312 556175484 /nfs/dbraw/zinc/17/54/84/556175484.db2.gz VSMDTURROHSZGZ-DEOSSOPVSA-N 0 0 435.589 5.446 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440065 556176096 /nfs/dbraw/zinc/17/60/96/556176096.db2.gz ATQYDIYZLYDUPD-RUZDIDTESA-N 0 0 439.555 6.071 50 30 IKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008440519 556176510 /nfs/dbraw/zinc/17/65/10/556176510.db2.gz KOCLNSLPPORYAS-QFIPXVFZSA-N 0 0 433.577 5.046 50 30 IKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000008440797 556176524 /nfs/dbraw/zinc/17/65/24/556176524.db2.gz CYYVWSFVWZGQGP-OAQYLSRUSA-N 0 0 437.517 5.299 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008442315 556177327 /nfs/dbraw/zinc/17/73/27/556177327.db2.gz BYXZAQQCRJRABN-CYXNTTPDSA-N 0 0 449.941 5.933 50 30 IKEARN CCOc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc4ccccc4n3)s2)cc1 ZINC000008442486 556177332 /nfs/dbraw/zinc/17/73/32/556177332.db2.gz TXNMYTCFCSGBMW-LGJNPRDNSA-N 0 0 427.451 6.526 50 30 IKEARN CCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000008443856 556178572 /nfs/dbraw/zinc/17/85/72/556178572.db2.gz XBPUHAZGAJUOGE-SANMLTNESA-N 0 0 432.564 6.028 50 30 IKEARN CCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC ZINC000008444087 556178707 /nfs/dbraw/zinc/17/87/07/556178707.db2.gz UPIFDHKHXHBGTB-SANMLTNESA-N 0 0 432.564 6.028 50 30 IKEARN Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccc(Br)cc2)n1 ZINC000008444784 556179222 /nfs/dbraw/zinc/17/92/22/556179222.db2.gz ODZQYOZRBGRAMF-MFKUBSTISA-N 0 0 445.320 5.725 50 30 IKEARN FC(F)(F)C1=CN2C(c3ccco3)=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=C1 ZINC000008445278 556179660 /nfs/dbraw/zinc/17/96/60/556179660.db2.gz LSGIMDNMXDIOGH-UHFFFAOYSA-N 0 0 437.649 5.144 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O ZINC000008448934 556180764 /nfs/dbraw/zinc/18/07/64/556180764.db2.gz CHJLCNXRVDJGGC-UHFFFAOYSA-N 0 0 437.536 5.793 50 30 IKEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000008450431 556181232 /nfs/dbraw/zinc/18/12/32/556181232.db2.gz KAHOQLSJMYOJGP-KGENOOAVSA-N 0 0 444.443 5.040 50 30 IKEARN COc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3C)NC2=O)cc1Cl ZINC000008451541 556182164 /nfs/dbraw/zinc/18/21/64/556182164.db2.gz JGMVFJLFZKPFLZ-CXUHLZMHSA-N 0 0 437.746 5.311 50 30 IKEARN CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(Cc3ccco3)C1=O)OCO2 ZINC000008451842 556182417 /nfs/dbraw/zinc/18/24/17/556182417.db2.gz ROUYAPDUUUROKS-BZTNSOLFSA-N 0 0 448.500 5.211 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccc(C)c(C)c1 ZINC000008452251 556182755 /nfs/dbraw/zinc/18/27/55/556182755.db2.gz WQVAFROCZAAHDK-CRUFNBOHSA-N 0 0 445.382 5.698 50 30 IKEARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)/C=C\c1cc(Cl)cc(Cl)c1OC ZINC000097402283 556186617 /nfs/dbraw/zinc/18/66/17/556186617.db2.gz XZWYIFJCMITUSW-CIIODKQPSA-N 0 0 432.130 6.613 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C/c1c(C)c(C)c(C)c(C)c1C ZINC000008616531 556192512 /nfs/dbraw/zinc/19/25/12/556192512.db2.gz IFTKYQNTWKNXJW-NSKAYECMSA-N 0 0 445.346 6.690 50 30 IKEARN CC(C=NOCc1c(Cl)cccc1Cl)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000008626621 556193577 /nfs/dbraw/zinc/19/35/77/556193577.db2.gz HPTPAKZHPHPDKI-AEJFBDKMSA-N 0 0 439.557 6.944 50 30 IKEARN COc1ccc(/C(C)=N/OC(=O)c2ccc(Cl)cc2)cc1CSc1ccccn1 ZINC000008629694 556194094 /nfs/dbraw/zinc/19/40/94/556194094.db2.gz RGRJCBQKWVZGGI-MFKUBSTISA-N 0 0 426.925 5.617 50 30 IKEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1/N=C/c1ccccc1O ZINC000008629783 556194115 /nfs/dbraw/zinc/19/41/15/556194115.db2.gz RZZIDAKVEJOAMA-BHGWPJFGSA-N 0 0 446.341 5.722 50 30 IKEARN N=C(CSc1cccs1)NOC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008637186 556195409 /nfs/dbraw/zinc/19/54/09/556195409.db2.gz BCTXXPFJTYXRLF-UHFFFAOYSA-N 0 0 428.379 5.007 50 30 IKEARN O=C1CS/C(=N\c2cc(Cl)c(Cl)cc2Cl)N1Cc1ccc2c(c1)OCO2 ZINC000008648177 556195995 /nfs/dbraw/zinc/19/59/95/556195995.db2.gz YTVXTXZNFXSTIH-FXBPSFAMSA-N 0 0 429.712 5.139 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008739284 556205881 /nfs/dbraw/zinc/20/58/81/556205881.db2.gz WGDCIXFXFONXPR-NRFANRHFSA-N 0 0 434.467 5.203 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008740615 556206315 /nfs/dbraw/zinc/20/63/15/556206315.db2.gz YLLYBCVDOLFYLA-HXUWFJFHSA-N 0 0 434.517 5.022 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008741465 556206994 /nfs/dbraw/zinc/20/69/94/556206994.db2.gz VXPYLFGBYLCGDV-NRFANRHFSA-N 0 0 432.545 5.219 50 30 IKEARN O=C(/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000008742119 556207394 /nfs/dbraw/zinc/20/73/94/556207394.db2.gz QDMZUWVXMJWTDD-WJDWOHSUSA-N 0 0 439.216 6.651 50 30 IKEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000008742100 556207428 /nfs/dbraw/zinc/20/74/28/556207428.db2.gz VSXMJSFBNLNLBA-HSRFISPZSA-N 0 0 442.456 5.375 50 30 IKEARN C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1 ZINC000008743591 556208120 /nfs/dbraw/zinc/20/81/20/556208120.db2.gz SUUOKAQVXPRLDV-DJUDNFEDSA-N 0 0 434.348 5.140 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(C)c2)cc1 ZINC000008779932 556214602 /nfs/dbraw/zinc/21/46/02/556214602.db2.gz PCUDZKQAQSCLPO-VWLOTQADSA-N 0 0 445.559 5.351 50 30 IKEARN N#Cc1c(-c2ccc(Br)cc2)c(/C=C\c2ccccc2)nn1-c1ccccc1 ZINC000097475226 556216658 /nfs/dbraw/zinc/21/66/58/556216658.db2.gz VINKLNLSNHREPZ-WJDWOHSUSA-N 0 0 426.317 6.344 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1=O ZINC000097474809 556216732 /nfs/dbraw/zinc/21/67/32/556216732.db2.gz PNJIZAARSJFIJX-CLFYSBASSA-N 0 0 427.125 5.444 50 30 IKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000008846665 556227139 /nfs/dbraw/zinc/22/71/39/556227139.db2.gz NVTWIXACOHQGCP-CRYYWNKWSA-N 0 0 444.962 6.718 50 30 IKEARN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCC ZINC000008860495 556228137 /nfs/dbraw/zinc/22/81/37/556228137.db2.gz APDLCSPGWPLYEQ-WRBRXSDHSA-N 0 0 425.698 6.442 50 30 in-vitro IKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000008914000 556231977 /nfs/dbraw/zinc/23/19/77/556231977.db2.gz FVWWBSVRCAEWET-LYZGTLIUSA-N 0 0 438.527 5.616 50 30 IKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000008913999 556232013 /nfs/dbraw/zinc/23/20/13/556232013.db2.gz FVWWBSVRCAEWET-RBTNQOKQSA-N 0 0 438.527 5.616 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000008972344 556237624 /nfs/dbraw/zinc/23/76/24/556237624.db2.gz UIRHLVVFWAYYHY-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1 ZINC000008974624 556237964 /nfs/dbraw/zinc/23/79/64/556237964.db2.gz RKAPRONBLMDNBI-GDJIYFAZSA-N 0 0 440.543 6.073 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009008209 556240170 /nfs/dbraw/zinc/24/01/70/556240170.db2.gz WHRHZLHXXNQFAM-HXUWFJFHSA-N 0 0 439.298 5.167 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000009042936 556242318 /nfs/dbraw/zinc/24/23/18/556242318.db2.gz OLWBKSRHNUZJJA-SANMLTNESA-N 0 0 446.547 5.604 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000009043171 556242367 /nfs/dbraw/zinc/24/23/67/556242367.db2.gz XMCCXPYRDDZXTN-FQEVSTJZSA-N 0 0 439.298 5.167 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000009046066 556242872 /nfs/dbraw/zinc/24/28/72/556242872.db2.gz WEWIQWUUBJGZRD-SANMLTNESA-N 0 0 446.547 5.749 50 30 IKEARN Cc1cc(C)nc(N=C(NC(=S)Nc2ccccc2)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000009065449 556244776 /nfs/dbraw/zinc/24/47/76/556244776.db2.gz GTNUJWHLVLPMIB-UHFFFAOYSA-N 0 0 445.379 5.677 50 30 IKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC ZINC000009129834 556248848 /nfs/dbraw/zinc/24/88/48/556248848.db2.gz OJTUKUXDZSBQNV-RUZDIDTESA-N 0 0 448.563 5.503 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009184889 556250135 /nfs/dbraw/zinc/25/01/35/556250135.db2.gz MMXPVYJCUOUUPZ-JOCHJYFZSA-N 0 0 431.875 5.326 50 30 IKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009240502 556266337 /nfs/dbraw/zinc/26/63/37/556266337.db2.gz SLTINVFCIDBTMO-JOCHJYFZSA-N 0 0 446.890 5.083 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000009242713 556266688 /nfs/dbraw/zinc/26/66/88/556266688.db2.gz ZBQOOGVMABWGQS-OSPHWJPCSA-N 0 0 426.907 5.500 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000009242711 556266725 /nfs/dbraw/zinc/26/67/25/556266725.db2.gz ZBQOOGVMABWGQS-BXKMTCNYSA-N 0 0 426.907 5.500 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 ZINC000009246825 556267034 /nfs/dbraw/zinc/26/70/34/556267034.db2.gz PYYUUKYQCKCTOA-QUGAMOGWSA-N 0 0 432.926 6.767 50 30 IKEARN Cc1c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000009261266 556268960 /nfs/dbraw/zinc/26/89/60/556268960.db2.gz NSZQLECCNNSTQZ-BUVRLJJBSA-N 0 0 441.531 6.029 50 30 IKEARN COc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br ZINC000009261327 556269307 /nfs/dbraw/zinc/26/93/07/556269307.db2.gz RVNBOSOVKSPVIU-RIYZIHGNSA-N 0 0 441.709 5.142 50 30 IKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2ccccc2)cc1 ZINC000009264179 556270108 /nfs/dbraw/zinc/27/01/08/556270108.db2.gz JPLOWEVPXSUXRA-AREMUKBSSA-N 0 0 439.515 5.908 50 30 IKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O ZINC000009264313 556270376 /nfs/dbraw/zinc/27/03/76/556270376.db2.gz GHIOUXPTYCHIBO-WGDIFIGCSA-N 0 0 428.488 5.209 50 30 IKEARN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000009264371 556270437 /nfs/dbraw/zinc/27/04/37/556270437.db2.gz IZHRCDYDYOIOKV-PUAOIOHZSA-N 0 0 440.455 5.680 50 30 IKEARN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccccc1 ZINC000009264613 556270444 /nfs/dbraw/zinc/27/04/44/556270444.db2.gz XMTUERJUKQHQAP-HXNPFYCNSA-N 0 0 445.588 6.117 50 30 IKEARN O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000009272138 556271128 /nfs/dbraw/zinc/27/11/28/556271128.db2.gz JPORGMDGWOQHJJ-CYBMUJFWSA-N 0 0 430.154 5.218 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(C#N)cc1 ZINC000009301157 556275959 /nfs/dbraw/zinc/27/59/59/556275959.db2.gz ZDMMAPDMIUEIRU-HHHXNRCGSA-N 0 0 447.538 6.015 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000009312224 556280410 /nfs/dbraw/zinc/28/04/10/556280410.db2.gz LJOHDXCOSBONGV-LJQANCHMSA-N 0 0 445.544 5.425 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2 ZINC000009312172 556280523 /nfs/dbraw/zinc/28/05/23/556280523.db2.gz UOSHNJLDXINYON-QFIPXVFZSA-N 0 0 441.369 5.993 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009329989 556282603 /nfs/dbraw/zinc/28/26/03/556282603.db2.gz DKCUPIRPNJGSAE-JOCHJYFZSA-N 0 0 435.907 5.835 50 30 IKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000009370626 556286168 /nfs/dbraw/zinc/28/61/68/556286168.db2.gz RVFGCCQXPBNYMV-NRFANRHFSA-N 0 0 448.316 5.228 50 30 IKEARN O=C(/C=C/c1ccc(NC(=O)COc2ccc(Br)cc2)cc1)c1cccs1 ZINC000009426167 556290279 /nfs/dbraw/zinc/29/02/79/556290279.db2.gz JTQGBWOINHISMD-LFYBBSHMSA-N 0 0 442.334 5.424 50 30 IKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009472368 556293669 /nfs/dbraw/zinc/29/36/69/556293669.db2.gz KHYOPUZNBHHDRP-QHCPKHFHSA-N 0 0 447.462 5.070 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccccc1)[C@@H]2c1ccco1 ZINC000009482722 556294170 /nfs/dbraw/zinc/29/41/70/556294170.db2.gz SJQMLGSBLWFRMB-AREMUKBSSA-N 0 0 442.515 5.502 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000009546505 556297387 /nfs/dbraw/zinc/29/73/87/556297387.db2.gz JBTUOHMTNWAOJK-WXTAPIANSA-N 0 0 439.490 5.600 50 30 IKEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3F)C12 ZINC000009546529 556297614 /nfs/dbraw/zinc/29/76/14/556297614.db2.gz ASXJGZULURUIJB-PUAOIOHZSA-N 0 0 443.909 6.245 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000009559908 556298913 /nfs/dbraw/zinc/29/89/13/556298913.db2.gz GIPWOQUJELTBGT-XJKSGUPXSA-N 0 0 446.330 5.015 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O ZINC000013751026 556299079 /nfs/dbraw/zinc/29/90/79/556299079.db2.gz QPSMUHWMGMTHMJ-UVQVWFEYSA-N 0 0 429.589 6.173 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)c1 ZINC000009559994 556299216 /nfs/dbraw/zinc/29/92/16/556299216.db2.gz DQMUKBLCFGBICH-BBRMVZONSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1 ZINC000009560046 556299474 /nfs/dbraw/zinc/29/94/74/556299474.db2.gz VMJSNTZIJYYPPK-RDPSFJRHSA-N 0 0 439.511 5.492 50 30 IKEARN O=C1C[C@@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560030 556299497 /nfs/dbraw/zinc/29/94/97/556299497.db2.gz ZUWADTXKBCRFAB-BBRMVZONSA-N 0 0 430.729 5.107 50 30 IKEARN O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560068 556299506 /nfs/dbraw/zinc/29/95/06/556299506.db2.gz LWURXLAWGAYRRJ-PGRDOPGGSA-N 0 0 443.930 6.137 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 ZINC000009560048 556299523 /nfs/dbraw/zinc/29/95/23/556299523.db2.gz VMJSNTZIJYYPPK-GBXCKJPGSA-N 0 0 439.511 5.492 50 30 IKEARN Cc1c(O)ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1O ZINC000013756679 556300804 /nfs/dbraw/zinc/30/08/04/556300804.db2.gz QETPIMOLSUEHKE-OPEKNORGSA-N 0 0 439.302 5.769 50 30 IKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000013756745 556300808 /nfs/dbraw/zinc/30/08/08/556300808.db2.gz QNDDIHBKFCJXDN-BRJLIKDPSA-N 0 0 427.722 6.703 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NCc2ccco2)cc1 ZINC000013764545 556302491 /nfs/dbraw/zinc/30/24/91/556302491.db2.gz VQZOUJZKSXJASA-UHFFFAOYSA-N 0 0 432.386 5.649 50 30 IKEARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C ZINC000009614292 556303528 /nfs/dbraw/zinc/30/35/28/556303528.db2.gz AITJTURKCCCOIZ-MIZPHKNDSA-N 0 0 441.402 7.134 50 30 IKEARN Cc1c(OC/C(=N\O)c2ccc(Cl)cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000013773580 556305946 /nfs/dbraw/zinc/30/59/46/556305946.db2.gz SXTWFWLDLALBNI-WEMUOSSPSA-N 0 0 447.918 5.911 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000009680430 556306146 /nfs/dbraw/zinc/30/61/46/556306146.db2.gz DVWBBQPDRSRDCA-HSZRJFAPSA-N 0 0 429.347 6.300 50 30 IKEARN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000013774249 556306998 /nfs/dbraw/zinc/30/69/98/556306998.db2.gz PTJPHWXNWPBHDJ-LNKIKWGQSA-N 0 0 427.500 5.861 50 30 IKEARN COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013775323 556307133 /nfs/dbraw/zinc/30/71/33/556307133.db2.gz IDNDDQLQONLBCQ-MFKUBSTISA-N 0 0 443.415 5.228 50 30 IKEARN COc1ccc2cc(CN=Nc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc2c1 ZINC000013810764 556312301 /nfs/dbraw/zinc/31/23/01/556312301.db2.gz YBAUQSBQEUYOFQ-LUOAPIJWSA-N 0 0 445.935 6.015 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 ZINC000009851593 556314279 /nfs/dbraw/zinc/31/42/79/556314279.db2.gz PRYOEAHVBRFDGW-DJUDNFEDSA-N 0 0 434.348 5.140 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc3c(c1)OCO3)N2 ZINC000009861253 556314654 /nfs/dbraw/zinc/31/46/54/556314654.db2.gz JFOJXPWQRSGYCA-SANMLTNESA-N 0 0 438.483 5.232 50 30 IKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000009861333 556315007 /nfs/dbraw/zinc/31/50/07/556315007.db2.gz UENBBEOHPDSUAO-RUZDIDTESA-N 0 0 428.919 6.161 50 30 IKEARN COc1ccc(OC)c([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c1 ZINC000013838862 556317294 /nfs/dbraw/zinc/31/72/94/556317294.db2.gz MQMQMQMTYBPBLG-XMMPIXPASA-N 0 0 425.488 5.334 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1 ZINC000009934354 556318205 /nfs/dbraw/zinc/31/82/05/556318205.db2.gz RNCCSISZHQBOIK-CLYVBNDRSA-N 0 0 442.515 5.599 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013538 556322314 /nfs/dbraw/zinc/32/23/14/556322314.db2.gz XUQUTXAGLBYFDG-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013705 556322474 /nfs/dbraw/zinc/32/24/74/556322474.db2.gz MTTFLXDXMWWTIH-DEOSSOPVSA-N 0 0 448.538 5.467 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013706 556322516 /nfs/dbraw/zinc/32/25/16/556322516.db2.gz MTTFLXDXMWWTIH-XMMPIXPASA-N 0 0 448.538 5.467 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013764 556322729 /nfs/dbraw/zinc/32/27/29/556322729.db2.gz PONHLWOSHSALCG-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035310 556323004 /nfs/dbraw/zinc/32/30/04/556323004.db2.gz KQYMAEBHQWVZEK-DNOBIOAJSA-N 0 0 438.527 5.762 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2C=NNc2ccccc2Br)cc1 ZINC000013895887 556329298 /nfs/dbraw/zinc/32/92/98/556329298.db2.gz QRHCEQAWIRZJJZ-HYARGMPZSA-N 0 0 444.354 5.004 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C ZINC000013915996 556332586 /nfs/dbraw/zinc/33/25/86/556332586.db2.gz XAXMBZMCJULYBA-RUZDIDTESA-N 0 0 449.522 5.162 50 30 IKEARN CC(C)Oc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1Cl ZINC000014008690 556353734 /nfs/dbraw/zinc/35/37/34/556353734.db2.gz QJHJGFVRCCFXEU-CXUHLZMHSA-N 0 0 441.767 6.326 50 30 IKEARN Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000014009035 556354194 /nfs/dbraw/zinc/35/41/94/556354194.db2.gz QTMBFHSEKDXTSD-KHHYFDFNSA-N 0 0 443.597 6.385 50 30 IKEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000012032541 556389233 /nfs/dbraw/zinc/38/92/33/556389233.db2.gz AJKYOJCZUDFUEE-LDADJPATSA-N 0 0 425.307 5.601 50 30 IKEARN O=C(Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000012062477 556395446 /nfs/dbraw/zinc/39/54/46/556395446.db2.gz WUEHLAZWAATKHX-MPCPQKGKSA-N 0 0 442.519 6.313 50 30 IKEARN COc1ccc(CCNc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1OC ZINC000032603846 556406585 /nfs/dbraw/zinc/40/65/85/556406585.db2.gz WKMUEEBRVLDCQJ-UHFFFAOYSA-N 0 0 427.426 5.311 50 30 IKEARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(C#N)oc4ccccc43)c2n1 ZINC000032823667 556408318 /nfs/dbraw/zinc/40/83/18/556408318.db2.gz AYPLSHDFIPKVLJ-UHFFFAOYSA-N 0 0 426.259 5.485 50 30 IKEARN Cc1ccc(S(=O)(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000014257465 556410920 /nfs/dbraw/zinc/41/09/20/556410920.db2.gz VNXMVKTYCHYYOF-BUVRLJJBSA-N 0 0 449.557 5.332 50 30 IKEARN Cn1nc(-c2ccccc2)c([C@@H](O)C#Cc2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000003049332 556411398 /nfs/dbraw/zinc/41/13/98/556411398.db2.gz RTCPWVSNJMWLNZ-QFIPXVFZSA-N 0 0 430.960 5.977 50 30 IKEARN COc1cc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000032642215 556412225 /nfs/dbraw/zinc/41/22/25/556412225.db2.gz KTRNYPRSSCPNEQ-PDGQHHTCSA-N 0 0 432.451 5.151 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SCC(C)C)cc1C ZINC000032828895 556413343 /nfs/dbraw/zinc/41/33/43/556413343.db2.gz ABLGNCLFNSDTPG-HXUWFJFHSA-N 0 0 425.579 5.033 50 30 IKEARN COc1ccc(/C=N\c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000014406272 556415686 /nfs/dbraw/zinc/41/56/86/556415686.db2.gz BYHZZGJEKGTRPY-QFEZKATASA-N 0 0 449.919 6.798 50 30 IKEARN CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O ZINC000014686649 556432647 /nfs/dbraw/zinc/43/26/47/556432647.db2.gz TYDBFNAOFZIICW-AWEZNQCLSA-N 0 0 442.552 5.307 50 30 biogenic,in-vitro IKEARN Cc1cccc(NC(=O)[C@]2(C#N)[C@@H](c3ccccc3)[C@@]2(C)C(=O)c2ccc(Cl)cc2)c1 ZINC000014944510 556459327 /nfs/dbraw/zinc/45/93/27/556459327.db2.gz IPHQYXBFPOIGLR-HRNNMHKYSA-N 0 0 428.919 5.784 50 30 IKEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015011752 556483439 /nfs/dbraw/zinc/48/34/39/556483439.db2.gz LRAOFPDEFXCXNX-KGENOOAVSA-N 0 0 431.473 5.065 50 30 IKEARN O=C(Oc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1)c1ccccc1Cl ZINC000015011721 556483465 /nfs/dbraw/zinc/48/34/65/556483465.db2.gz JHESMKBRSVCFND-XSFVSMFZSA-N 0 0 434.904 5.451 50 30 IKEARN C=CCOc1c(Br)cc(/C=C2\N=C(SCC)SC2=O)cc1OCC ZINC000015016374 556485452 /nfs/dbraw/zinc/48/54/52/556485452.db2.gz OPSKPYYIZGITNZ-LCYFTJDESA-N 0 0 428.373 5.136 50 30 IKEARN CCCCN1c2ccccc2/C(=C2/S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)C1=O ZINC000015016588 556485746 /nfs/dbraw/zinc/48/57/46/556485746.db2.gz JJIBUHATVABDNO-XJFMHJCUSA-N 0 0 425.941 5.091 50 30 IKEARN CCCSC1=N/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1 ZINC000015016474 556485785 /nfs/dbraw/zinc/48/57/85/556485785.db2.gz VMKBERNHVBCTQG-PDGQHHTCSA-N 0 0 448.009 6.431 50 30 IKEARN CCOc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O ZINC000015018367 556486843 /nfs/dbraw/zinc/48/68/43/556486843.db2.gz PINVISQOLIUBCR-JXKYSLRESA-N 0 0 444.556 6.216 50 30 IKEARN CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F ZINC000015018639 556487257 /nfs/dbraw/zinc/48/72/57/556487257.db2.gz SDXIRRWDWVXMDW-RWPZCVJISA-N 0 0 434.536 6.366 50 30 IKEARN Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000015081088 556501196 /nfs/dbraw/zinc/50/11/96/556501196.db2.gz OJPIWRXLXMPYGY-CYXNTTPDSA-N 0 0 438.527 5.117 50 30 IKEARN Fc1c(F)c(F)c(N=NCc2ccc(OCc3ccc4ccccc4c3)cc2)c(F)c1F ZINC000030702489 556502405 /nfs/dbraw/zinc/50/24/05/556502405.db2.gz IGJXFSUQZDPWJG-FTCYSYDXSA-N 0 0 442.387 6.560 50 30 IKEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000030742955 556502905 /nfs/dbraw/zinc/50/29/05/556502905.db2.gz BMJXXZBZQDANFB-RWBSCQHUSA-N 0 0 444.556 5.551 50 30 IKEARN Brc1ccccc1-c1nnc(CON=C2c3ccccc3-c3ccccc32)o1 ZINC000013527733 556512665 /nfs/dbraw/zinc/51/26/65/556512665.db2.gz VCOCGCRDVDTNBD-UHFFFAOYSA-N 0 0 432.277 5.449 50 30 IKEARN CCCCCCOc1ccc(/N=C(C)/C(C)=N/c2ccc(OCCCCCC)cc2)cc1 ZINC000015230325 556512962 /nfs/dbraw/zinc/51/29/62/556512962.db2.gz LWEBAYLOXHIMSF-HCTXVGCHSA-N 0 0 436.640 8.490 50 30 IKEARN Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000003082729 556518508 /nfs/dbraw/zinc/51/85/08/556518508.db2.gz ZZSHEWYVSIWKPP-WYMPLXKRSA-N 0 0 429.259 6.180 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)ccc1Cl ZINC000003085021 556519013 /nfs/dbraw/zinc/51/90/13/556519013.db2.gz QHZMOMXXRNOQRI-VULFUBBASA-N 0 0 427.847 6.960 50 30 IKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)cc1 ZINC000003089185 556519270 /nfs/dbraw/zinc/51/92/70/556519270.db2.gz IJISJOCEUVHLGN-WYMPLXKRSA-N 0 0 429.259 6.180 50 30 IKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4c5c(cccc53)CC4)cc2)c([N+](=O)[O-])c1 ZINC000003088008 556519585 /nfs/dbraw/zinc/51/95/85/556519585.db2.gz PCLIVJRCMFJDCY-CVKSISIWSA-N 0 0 439.427 6.298 50 30 IKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(C)c1Cl ZINC000003087854 556519597 /nfs/dbraw/zinc/51/95/97/556519597.db2.gz IORFJFAELVJYKO-NSKAYECMSA-N 0 0 445.733 7.528 50 30 IKEARN Cc1ccccc1/N=C/c1c(OC(=O)c2ccc(Br)cc2)ccc2ccccc21 ZINC000003088624 556519605 /nfs/dbraw/zinc/51/96/05/556519605.db2.gz NVGLUYQOPQGBMG-JVWAILMASA-N 0 0 444.328 6.881 50 30 IKEARN [N-]=[N+]=Nc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N=[N+]=[N-])cc4)cc3)cc2)cc1 ZINC000015636547 556539582 /nfs/dbraw/zinc/53/95/82/556539582.db2.gz RVGWONWUJLHABN-UHFFFAOYSA-N 0 0 448.442 8.386 50 30 IKEARN COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000015800144 556552713 /nfs/dbraw/zinc/55/27/13/556552713.db2.gz GRIDUHLZOPMRPW-NTCAYCPXSA-N 0 0 436.305 5.606 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C#N ZINC000072305315 556553406 /nfs/dbraw/zinc/55/34/06/556553406.db2.gz GAQZUPXOIGNYKK-DQEYMECFSA-N 0 0 443.595 5.192 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1c[nH]c3ccccc31)N2 ZINC000015821837 556553986 /nfs/dbraw/zinc/55/39/86/556553986.db2.gz RKJBXHXTLVMNQI-MHZLTWQESA-N 0 0 433.511 5.985 50 30 IKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1cccs1 ZINC000015837256 556555937 /nfs/dbraw/zinc/55/59/37/556555937.db2.gz VNZPCJPEJWDQNC-QXMHVHEDSA-N 0 0 435.346 6.259 50 30 IKEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 ZINC000033145060 556556140 /nfs/dbraw/zinc/55/61/40/556556140.db2.gz JCUQFBSGJBJVSM-LDADJPATSA-N 0 0 448.529 5.207 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)cc1 ZINC000033353744 556562913 /nfs/dbraw/zinc/56/29/13/556562913.db2.gz DMBIJVJFFGTDMC-UHFFFAOYSA-N 0 0 446.672 8.282 50 30 biogenic IKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000015945585 556566829 /nfs/dbraw/zinc/56/68/29/556566829.db2.gz DDSPIASNYTWIRP-WKTMJKCCSA-N 0 0 446.616 6.911 50 30 IKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C)C3)c1 ZINC000015946518 556567369 /nfs/dbraw/zinc/56/73/69/556567369.db2.gz ZUJNXOYFMXQPHZ-KSXCTLEASA-N 0 0 434.561 5.893 50 30 IKEARN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)cc1 ZINC000015946427 556567376 /nfs/dbraw/zinc/56/73/76/556567376.db2.gz HYNWTEASYYFSBE-JVWAILMASA-N 0 0 432.589 6.645 50 30 IKEARN Cc1cccc(C(=O)ONC(=N)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1 ZINC000033958172 556570511 /nfs/dbraw/zinc/57/05/11/556570511.db2.gz GLICBHIXWAJBGR-UHFFFAOYSA-N 0 0 449.816 5.332 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000015979965 556570846 /nfs/dbraw/zinc/57/08/46/556570846.db2.gz XKGBLPUZEGOBHN-HXUWFJFHSA-N 0 0 438.593 5.500 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000015979963 556570865 /nfs/dbraw/zinc/57/08/65/556570865.db2.gz XKGBLPUZEGOBHN-FQEVSTJZSA-N 0 0 438.593 5.500 50 30 IKEARN CC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000015986310 556571110 /nfs/dbraw/zinc/57/11/10/556571110.db2.gz LZUWGRSHFSSZJL-HPNDGRJYSA-N 0 0 447.951 5.694 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000001175428 556574148 /nfs/dbraw/zinc/57/41/48/556574148.db2.gz GNFWYUKPEKUBAW-NRFANRHFSA-N 0 0 444.428 5.451 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)c(C)c1 ZINC000016034357 556577358 /nfs/dbraw/zinc/57/73/58/556577358.db2.gz WKOKHHOWWHAYEC-GVAUOCQISA-N 0 0 435.552 5.649 50 30 IKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006720507 556579301 /nfs/dbraw/zinc/57/93/01/556579301.db2.gz VSICIECRBYHMGG-HHHXNRCGSA-N 0 0 425.576 6.391 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000034688514 556580887 /nfs/dbraw/zinc/58/08/87/556580887.db2.gz AWIUKRRXXLKOBR-MSIOFZDNSA-N 0 0 448.910 5.015 50 30 IKEARN O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21 ZINC000016156397 556585861 /nfs/dbraw/zinc/58/58/61/556585861.db2.gz FQTBATMWPPXGOH-MAABLUSNSA-N 0 0 433.507 5.247 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2C)c1C ZINC000032971625 556589287 /nfs/dbraw/zinc/58/92/87/556589287.db2.gz DGZLKGNFDYQBKB-UHFFFAOYSA-N 0 0 445.611 5.524 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)cc(C)c2)c1C ZINC000032971696 556589502 /nfs/dbraw/zinc/58/95/02/556589502.db2.gz LDSSMOBJDTVLMX-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C(C)C)cc2)c1C ZINC000032971764 556589571 /nfs/dbraw/zinc/58/95/71/556589571.db2.gz KJBBWYZGGHQZOW-UHFFFAOYSA-N 0 0 445.611 5.658 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCc1c(C)nn(CC)c1C ZINC000032972156 556590044 /nfs/dbraw/zinc/59/00/44/556590044.db2.gz FIVCUIFKXLYTRX-UHFFFAOYSA-N 0 0 437.975 5.134 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(Cl)cc1)Nc1ccc(C(C)C)cc1 ZINC000032972267 556590078 /nfs/dbraw/zinc/59/00/78/556590078.db2.gz NEZHXVYONBKOMK-UHFFFAOYSA-N 0 0 437.975 5.212 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2Cl)Nc2cccc(C)c2C)c1C ZINC000032972157 556590117 /nfs/dbraw/zinc/59/01/17/556590117.db2.gz XQWBVNWUFOBROC-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(C(C)C)cc1 ZINC000032972560 556590977 /nfs/dbraw/zinc/59/09/77/556590977.db2.gz JLPIYQCMOSZDOJ-UHFFFAOYSA-N 0 0 431.584 5.175 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1cccc(Cl)c1C ZINC000032972555 556591005 /nfs/dbraw/zinc/59/10/05/556591005.db2.gz DEULWCAZSMUMCW-UHFFFAOYSA-N 0 0 437.975 5.014 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2cccc(SC)c2)c(C)n1 ZINC000032973000 556591984 /nfs/dbraw/zinc/59/19/84/556591984.db2.gz MMOVAOHPZVONJU-UHFFFAOYSA-N 0 0 435.597 5.030 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cccc(Cl)c2)c(C)n1 ZINC000032972926 556592623 /nfs/dbraw/zinc/59/26/23/556592623.db2.gz JSSLSCSMAHXZJE-UHFFFAOYSA-N 0 0 444.366 5.306 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccc(C(C)C)cc2)c(C)n1 ZINC000032972923 556592682 /nfs/dbraw/zinc/59/26/82/556592682.db2.gz GUTFSFWULMNRDW-UHFFFAOYSA-N 0 0 449.574 5.571 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cccc(C)c2C)c1C ZINC000032973390 556594121 /nfs/dbraw/zinc/59/41/21/556594121.db2.gz AJGLQSPMCGJZOF-UHFFFAOYSA-N 0 0 449.574 5.025 50 30 IKEARN COc1ccc(Br)cc1/C=C1\S/C(=N/c2cccc(Cl)c2C)NC1=O ZINC000016267655 556595919 /nfs/dbraw/zinc/59/59/19/556595919.db2.gz RZJJOTLNKDOYAX-SXGWCWSVSA-N 0 0 437.746 5.311 50 30 IKEARN CCCOc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1 ZINC000016310142 556599361 /nfs/dbraw/zinc/59/93/61/556599361.db2.gz WYIGXMWSNDTVFP-USHMODERSA-N 0 0 438.531 5.775 50 30 IKEARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000016346450 556601370 /nfs/dbraw/zinc/60/13/70/556601370.db2.gz RJDAKOJTSQFYTN-CQSZACIVSA-N 0 0 436.364 5.143 50 30 IKEARN CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000016361193 556602344 /nfs/dbraw/zinc/60/23/44/556602344.db2.gz PJJAFTPIZNPITC-KRWDZBQOSA-N 0 0 429.973 5.126 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984431 556603796 /nfs/dbraw/zinc/60/37/96/556603796.db2.gz XJBPCTMWOFJVFV-UHFFFAOYSA-N 0 0 441.911 5.746 50 30 IKEARN COc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984392 556604227 /nfs/dbraw/zinc/60/42/27/556604227.db2.gz GIXRCUOMMVBGDZ-UHFFFAOYSA-N 0 0 443.883 5.137 50 30 IKEARN CCc1cccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984366 556604251 /nfs/dbraw/zinc/60/42/51/556604251.db2.gz YKUXOJMDQLAWQL-UHFFFAOYSA-N 0 0 437.492 5.046 50 30 IKEARN Oc1ccc(Br)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000016384323 556604333 /nfs/dbraw/zinc/60/43/33/556604333.db2.gz KTDKYDJHHFZYSI-QFSHWATDSA-N 0 0 431.105 5.176 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984338 556604310 /nfs/dbraw/zinc/60/43/10/556604310.db2.gz KXVHLUCHUJYDQF-UHFFFAOYSA-N 0 0 435.520 5.907 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997459 556609284 /nfs/dbraw/zinc/60/92/84/556609284.db2.gz IEABAEFDIMPRSQ-QHCPKHFHSA-N 0 0 445.548 5.055 50 30 IKEARN C=CCN(C(=O)CSc1ccc(C(C)=O)cc1F)c1nc(-c2ccccc2)cs1 ZINC000032994587 556609461 /nfs/dbraw/zinc/60/94/61/556609461.db2.gz UOWBIZMPPNOAPR-UHFFFAOYSA-N 0 0 426.538 5.463 50 30 IKEARN O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000016477870 556610986 /nfs/dbraw/zinc/61/09/86/556610986.db2.gz SBCWKDXILIQATI-PZFZXBCHSA-N 0 0 434.948 5.718 50 30 IKEARN Cc1ccc(-c2nc3ccccc3c(N=NCc3cc(Br)ccc3O)n2)cc1 ZINC000016667056 556621693 /nfs/dbraw/zinc/62/16/93/556621693.db2.gz KWZVJWDOVIPXDJ-ZMOGYAJESA-N 0 0 433.309 5.519 50 30 IKEARN CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 ZINC000005030889 556622887 /nfs/dbraw/zinc/62/28/87/556622887.db2.gz KSYANNGOWZDSSO-AREMUKBSSA-N 0 0 433.596 6.077 50 30 IKEARN CC(C)CCCCCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000033712516 556623890 /nfs/dbraw/zinc/62/38/90/556623890.db2.gz VZPIYBMYVKNQKG-QJOMJCCJSA-N 0 0 428.489 5.934 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016732246 556631595 /nfs/dbraw/zinc/63/15/95/556631595.db2.gz KIHDCBXSHUIXFX-DEOSSOPVSA-N 0 0 443.499 5.185 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016732249 556631670 /nfs/dbraw/zinc/63/16/70/556631670.db2.gz KIHDCBXSHUIXFX-XMMPIXPASA-N 0 0 443.499 5.185 50 30 IKEARN O=c1c(/C=N/Cc2ccccc2Cl)c(NCc2ccccc2Cl)nc2ccccn12 ZINC000016734006 556632429 /nfs/dbraw/zinc/63/24/29/556632429.db2.gz KDEACMWERYGTRD-CVKSISIWSA-N 0 0 437.330 5.233 50 30 IKEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000016737285 556633960 /nfs/dbraw/zinc/63/39/60/556633960.db2.gz QDHOQDLLPRIKRU-FQEVSTJZSA-N 0 0 436.533 5.255 50 30 IKEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)O2 ZINC000016737417 556633994 /nfs/dbraw/zinc/63/39/94/556633994.db2.gz VJUIQCFHUDGWAP-IWIPYMOSSA-N 0 0 436.467 5.251 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2C)[C@H]1c1ccc(C(C)C)cc1 ZINC000016741360 556635127 /nfs/dbraw/zinc/63/51/27/556635127.db2.gz COEZEOKJFHLQMR-XMMPIXPASA-N 0 0 433.548 5.672 50 30 IKEARN O=C(Nc1sc(N=NCc2cccs2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000016750598 556637124 /nfs/dbraw/zinc/63/71/24/556637124.db2.gz UWVGQMIWKGBHTB-YDZHTSKRSA-N 0 0 438.965 6.223 50 30 IKEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016779347 556641012 /nfs/dbraw/zinc/64/10/12/556641012.db2.gz APMCBNXDEBYPDP-APPDUMDISA-N 0 0 429.611 5.231 50 30 IKEARN Cc1ccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc54)ccc3o2)cc1C ZINC000003113639 556642302 /nfs/dbraw/zinc/64/23/02/556642302.db2.gz IRQQPESIJCBECP-FDAWAROLSA-N 0 0 426.519 8.169 50 30 IKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000016805796 556643636 /nfs/dbraw/zinc/64/36/36/556643636.db2.gz SIHVLLOLDNWOII-XMMPIXPASA-N 0 0 445.490 5.393 50 30 IKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000016805795 556643648 /nfs/dbraw/zinc/64/36/48/556643648.db2.gz SIHVLLOLDNWOII-DEOSSOPVSA-N 0 0 445.490 5.393 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccs1 ZINC000016806159 556643969 /nfs/dbraw/zinc/64/39/69/556643969.db2.gz AWACMYWSLBVEDN-JOCHJYFZSA-N 0 0 429.497 5.315 50 30 IKEARN CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OCCC)cc2)cc1 ZINC000100688221 556648974 /nfs/dbraw/zinc/64/89/74/556648974.db2.gz KOTPUIPFXYWVOF-NHFJDJAPSA-N 0 0 441.641 5.823 50 30 IKEARN COc1ccc(-c2sc(/N=C/c3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC ZINC000017025235 556653226 /nfs/dbraw/zinc/65/32/26/556653226.db2.gz UZBOQGXUHIEDSC-LQKURTRISA-N 0 0 444.560 5.713 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000017028005 556653551 /nfs/dbraw/zinc/65/35/51/556653551.db2.gz AZRWCPUUKODWHN-JOCHJYFZSA-N 0 0 428.454 5.868 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000017042932 556653825 /nfs/dbraw/zinc/65/38/25/556653825.db2.gz GBYGBVGDGOQLFP-NRFANRHFSA-N 0 0 439.537 5.455 50 30 IKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041240 556653906 /nfs/dbraw/zinc/65/39/06/556653906.db2.gz HAQHFPKDKNJNHC-FQEVSTJZSA-N 0 0 447.535 5.487 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccccc1 ZINC000017044111 556654088 /nfs/dbraw/zinc/65/40/88/556654088.db2.gz MMIBLOSSVCAZDX-WINIVTDRSA-N 0 0 426.491 5.746 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000017056386 556654622 /nfs/dbraw/zinc/65/46/22/556654622.db2.gz GYKFWZDWSXIVOD-IBGZPJMESA-N 0 0 443.286 5.068 50 30 IKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OCC)cc3)ccc2C#N)cc1 ZINC000033011066 556659149 /nfs/dbraw/zinc/65/91/49/556659149.db2.gz UHTQFZNCFFMVNJ-UHFFFAOYSA-N 0 0 433.533 5.148 50 30 IKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000033011188 556659162 /nfs/dbraw/zinc/65/91/62/556659162.db2.gz FUYSBSVFTKFDDO-UHFFFAOYSA-N 0 0 439.924 5.022 50 30 IKEARN CC[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1 ZINC000017096267 556660017 /nfs/dbraw/zinc/66/00/17/556660017.db2.gz ZRNPRINBFFCLDN-WBILBPDKSA-N 0 0 429.029 6.730 50 30 IKEARN C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1 ZINC000017099452 556664658 /nfs/dbraw/zinc/66/46/58/556664658.db2.gz LMOSHJHFJUSRRG-PXLXIMEGSA-N 0 0 435.387 5.199 50 30 IKEARN C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2Br)c(O)c1 ZINC000011865073 556664697 /nfs/dbraw/zinc/66/46/97/556664697.db2.gz INRPOLXZULZPLN-UHFFFAOYSA-N 0 0 442.313 5.250 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 ZINC000011866181 556665897 /nfs/dbraw/zinc/66/58/97/556665897.db2.gz FFTUHMVWENSXFN-FMCGGJTJSA-N 0 0 430.843 5.494 50 30 biogenic IKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Br)=Cc2ccccc2)cc1 ZINC000017161634 556670758 /nfs/dbraw/zinc/67/07/58/556670758.db2.gz TYPNHNNGNDVJIU-NXUONHHFSA-N 0 0 441.398 5.801 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1ccccc1 ZINC000017242395 556674150 /nfs/dbraw/zinc/67/41/50/556674150.db2.gz APLKEYLPLCHNJF-FQEVSTJZSA-N 0 0 443.572 5.675 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2cccs2)C1 ZINC000017242669 556674167 /nfs/dbraw/zinc/67/41/67/556674167.db2.gz HROHJEXCQGKFLP-IBGZPJMESA-N 0 0 440.569 5.429 50 30 IKEARN O=C1C[C@@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000018087363 556683677 /nfs/dbraw/zinc/68/36/77/556683677.db2.gz DMTGWMBPXZPIDN-HXUWFJFHSA-N 0 0 435.936 5.505 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N1C(=O)c3ccccc3[C@H]21 ZINC000018116176 556684080 /nfs/dbraw/zinc/68/40/80/556684080.db2.gz MJWQZFQSWLNLBD-AREMUKBSSA-N 0 0 448.522 5.688 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000018137676 556684659 /nfs/dbraw/zinc/68/46/59/556684659.db2.gz FCTUPJZLWWGATE-DCFHFQCYSA-N 0 0 426.491 5.746 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccs1 ZINC000018136978 556684743 /nfs/dbraw/zinc/68/47/43/556684743.db2.gz BLCMSKCJGVKIDG-SANMLTNESA-N 0 0 442.584 6.134 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000018143240 556684973 /nfs/dbraw/zinc/68/49/73/556684973.db2.gz GDCZHXZFINBTRP-HFJWLAOPSA-N 0 0 430.935 6.328 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccco1 ZINC000018148523 556684989 /nfs/dbraw/zinc/68/49/89/556684989.db2.gz PSGCIEYNZHQEKN-DEOSSOPVSA-N 0 0 443.572 6.293 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000018172875 556685638 /nfs/dbraw/zinc/68/56/38/556685638.db2.gz BQCCHOWCZWHBJU-RUZDIDTESA-N 0 0 434.536 5.257 50 30 IKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 ZINC000018180934 556685834 /nfs/dbraw/zinc/68/58/34/556685834.db2.gz BNIZRPPVKJKMQP-RUZDIDTESA-N 0 0 448.563 5.503 50 30 IKEARN Cc1cccc2oc(-c3cccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)c3)nc21 ZINC000003114304 556685987 /nfs/dbraw/zinc/68/59/87/556685987.db2.gz IFNFDALZEXMZSV-FSJBWODESA-N 0 0 436.265 6.225 50 30 IKEARN COc1ccc([C@@H]2Nc3ncc(Br)cc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000018244360 556687951 /nfs/dbraw/zinc/68/79/51/556687951.db2.gz RVGOTZRJQBHRCH-IBGZPJMESA-N 0 0 428.330 5.075 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1Cl ZINC000003115270 556689014 /nfs/dbraw/zinc/68/90/14/556689014.db2.gz IRCZNOGGICZKBZ-OPEKNORGSA-N 0 0 431.706 7.214 50 30 IKEARN Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1 ZINC000003115285 556689128 /nfs/dbraw/zinc/68/91/28/556689128.db2.gz GOGKZXXLCMKJCF-KIBLKLHPSA-N 0 0 436.125 7.859 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000018286675 556689329 /nfs/dbraw/zinc/68/93/29/556689329.db2.gz VFTKHMOCXQDQJR-SANMLTNESA-N 0 0 444.619 6.783 50 30 IKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000018323436 556689385 /nfs/dbraw/zinc/68/93/85/556689385.db2.gz MPDSXYRJWFCSBN-QYBDOPJKSA-N 0 0 428.488 5.209 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 ZINC000018286051 556689423 /nfs/dbraw/zinc/68/94/23/556689423.db2.gz HPNULZLDPIMLNF-QUGAMOGWSA-N 0 0 430.935 6.328 50 30 IKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000003115291 556689487 /nfs/dbraw/zinc/68/94/87/556689487.db2.gz VBEFIDLPHRSBIP-BRJLIKDPSA-N 0 0 425.271 6.339 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000018324217 556689579 /nfs/dbraw/zinc/68/95/79/556689579.db2.gz MMJIPLSDWUQPEK-HHHXNRCGSA-N 0 0 445.607 6.086 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000138166225 556700316 /nfs/dbraw/zinc/70/03/16/556700316.db2.gz QHSIPLRFUZZWRP-RGIAPHJHSA-N 0 0 431.532 5.096 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(SC)cc2)ccc1O ZINC000033026446 556703162 /nfs/dbraw/zinc/70/31/62/556703162.db2.gz ITOCUDZKPBQEBU-HJPURHCSSA-N 0 0 448.544 5.377 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(SC)cc2)ccc1O ZINC000033026450 556703248 /nfs/dbraw/zinc/70/32/48/556703248.db2.gz ITOCUDZKPBQEBU-QMHKHESXSA-N 0 0 448.544 5.377 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033026467 556703567 /nfs/dbraw/zinc/70/35/67/556703567.db2.gz AKLUZVOIEKVLJU-YEJXKQKISA-N 0 0 441.314 5.954 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1cc3nccc(-c4ccc5ccccc5c4)n3n1)CCC2 ZINC000013644582 556705346 /nfs/dbraw/zinc/70/53/46/556705346.db2.gz ZANZLRXUWKCTCU-UHFFFAOYSA-N 0 0 435.512 5.224 50 30 IKEARN CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccc(C)cc2)cc1 ZINC000072314754 556705745 /nfs/dbraw/zinc/70/57/45/556705745.db2.gz IAIRBFSTVDVFID-HMMYKYKNSA-N 0 0 434.583 7.261 50 30 IKEARN CC1(C)CC(=O)[C@H]([C@@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1 ZINC000005180178 556721975 /nfs/dbraw/zinc/72/19/75/556721975.db2.gz BSMWLMCESYEKFA-XXQZRLPRSA-N 0 0 426.560 6.061 50 30 IKEARN CN(C)c1ccc(/C=C\C(=O)c2ccc3c4c2cccc4C(=O)N(c2ccccc2)C3=O)cc1 ZINC000033909355 556723726 /nfs/dbraw/zinc/72/37/26/556723726.db2.gz XGEPQUCZSUSWEA-AQTBWJFISA-N 0 0 446.506 5.603 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019314561 556735648 /nfs/dbraw/zinc/73/56/48/556735648.db2.gz SWWVFYHSSOWZMF-JOCHJYFZSA-N 0 0 438.524 5.075 50 30 in-vitro IKEARN O=C(C=CNc1cccc(-c2ccccc2NC=CC(=O)C(F)(F)F)c1)C(F)(F)F ZINC000002313066 556760501 /nfs/dbraw/zinc/76/05/01/556760501.db2.gz SJRVXUNODVGNTM-GFULKKFKSA-N 0 0 428.332 5.468 50 30 IKEARN COc1ccc(-c2c(C#N)c(SCc3csc(C)n3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002502411 556761396 /nfs/dbraw/zinc/76/13/96/556761396.db2.gz UTWSIFNTSMQSJF-UHFFFAOYSA-N 0 0 449.601 5.841 50 30 IKEARN C[C@@H](c1ccccc1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002423686 556761458 /nfs/dbraw/zinc/76/14/58/556761458.db2.gz RKESSTGBNYZSFV-NSHDSACASA-N 0 0 434.380 5.279 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccccc1)OCCCO4 ZINC000005353902 556767483 /nfs/dbraw/zinc/76/74/83/556767483.db2.gz VRSUVUBTXIPLIS-NRFANRHFSA-N 0 0 427.544 5.488 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccco4)o3)sc2C1 ZINC000002396212 556799413 /nfs/dbraw/zinc/79/94/13/556799413.db2.gz WELYEHZSADMFIF-LBPRGKRZSA-N 0 0 442.566 5.145 50 30 IKEARN Cc1cccc(Nc2c3ccc(C)cc3nc(C(F)(F)C(F)(F)F)c2C(F)(F)F)c1 ZINC000003022631 556803497 /nfs/dbraw/zinc/80/34/97/556803497.db2.gz HYNMNAPOKQFCSO-UHFFFAOYSA-N 0 0 434.330 7.268 50 30 IKEARN CCCCCCCCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000003220425 556805459 /nfs/dbraw/zinc/80/54/59/556805459.db2.gz STVZTNFIUXBAFG-UHFFFAOYSA-N 0 0 448.463 7.905 50 30 IKEARN Cc1ccc(Nc2nnc(SCC(=O)N(CCC#N)c3ccccc3F)s2)c(C)c1 ZINC000003318183 556809955 /nfs/dbraw/zinc/80/99/55/556809955.db2.gz OJKASGLUBIQMBN-UHFFFAOYSA-N 0 0 441.557 5.077 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003117349 556827035 /nfs/dbraw/zinc/82/70/35/556827035.db2.gz NNBXMQZZOPNONS-WSDLNYQXSA-N 0 0 425.784 5.126 50 30 IKEARN c1ccc(C(c2ccccc2)N2CCN(N=C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019626214 556831874 /nfs/dbraw/zinc/83/18/74/556831874.db2.gz CUEMNBRDEUBXMQ-UHFFFAOYSA-N 0 0 429.567 5.827 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000019639975 556836934 /nfs/dbraw/zinc/83/69/34/556836934.db2.gz ITJXPPUKBJZXDH-NRFANRHFSA-N 0 0 444.369 5.293 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000019639968 556836939 /nfs/dbraw/zinc/83/69/39/556836939.db2.gz ITJXPPUKBJZXDH-OAQYLSRUSA-N 0 0 444.369 5.293 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019643581 556838400 /nfs/dbraw/zinc/83/84/00/556838400.db2.gz GSKDVKZRDSPPOD-BCHFMIIMSA-N 0 0 445.534 5.673 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019643811 556838521 /nfs/dbraw/zinc/83/85/21/556838521.db2.gz PVKTZYSQXFLDJZ-FQRUVTKNSA-N 0 0 445.559 5.399 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019643808 556838524 /nfs/dbraw/zinc/83/85/24/556838524.db2.gz PVKTZYSQXFLDJZ-RXFWQSSRSA-N 0 0 445.559 5.399 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000019643790 556838544 /nfs/dbraw/zinc/83/85/44/556838544.db2.gz LYBMJVAFISFUSN-IBVKSMDESA-N 0 0 445.559 5.256 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019643802 556838558 /nfs/dbraw/zinc/83/85/58/556838558.db2.gz MABDESRNHXMABY-RUZDIDTESA-N 0 0 445.559 5.085 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019643813 556838775 /nfs/dbraw/zinc/83/87/75/556838775.db2.gz PVKTZYSQXFLDJZ-IBVKSMDESA-N 0 0 445.559 5.399 50 30 IKEARN CCCCCCCN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C ZINC000097949747 556840677 /nfs/dbraw/zinc/84/06/77/556840677.db2.gz ZBSPOWLAHFWGDR-QFIPXVFZSA-N 0 0 438.572 5.927 50 30 IKEARN FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1)C(F)(F)F ZINC000097951728 556848613 /nfs/dbraw/zinc/84/86/13/556848613.db2.gz RLTYASMTXHJTSN-UHFFFAOYSA-N 0 0 446.191 5.424 50 30 IKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1 ZINC000097951295 556848624 /nfs/dbraw/zinc/84/86/24/556848624.db2.gz ZVXXFMFDGXVLQZ-AREMUKBSSA-N 0 0 441.656 7.452 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000097953963 556850205 /nfs/dbraw/zinc/85/02/05/556850205.db2.gz JFSCPOMFUMYERF-DEOSSOPVSA-N 0 0 445.651 7.396 50 30 IKEARN CCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954681 556850403 /nfs/dbraw/zinc/85/04/03/556850403.db2.gz ZIAWBIRTRVUACD-DEOSSOPVSA-N 0 0 445.651 7.396 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097954709 556850585 /nfs/dbraw/zinc/85/05/85/556850585.db2.gz LNLFGIVGWOPUEE-JOCHJYFZSA-N 0 0 447.623 6.706 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1 ZINC000033097080 556858272 /nfs/dbraw/zinc/85/82/72/556858272.db2.gz ZMUWKRLESJFUPP-KCENJROVSA-N 0 0 447.435 6.985 50 30 IKEARN CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1 ZINC000033097085 556858343 /nfs/dbraw/zinc/85/83/43/556858343.db2.gz TZKRCBPRLXRXGF-FHLIKIBJSA-N 0 0 449.668 6.525 50 30 IKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000033154789 556878883 /nfs/dbraw/zinc/87/88/83/556878883.db2.gz LKGXJJIBINYLSI-YSMPRRRNSA-N 0 0 442.523 5.089 50 30 IKEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc3ccccc32)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000016034114 556892224 /nfs/dbraw/zinc/89/22/24/556892224.db2.gz SDLIEYULIJAVBE-UODIDJSMSA-N 0 0 431.539 5.982 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019761824 556905645 /nfs/dbraw/zinc/90/56/45/556905645.db2.gz DFPGCFXBBZYONE-KBMIEXCESA-N 0 0 431.532 5.008 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019762437 556906879 /nfs/dbraw/zinc/90/68/79/556906879.db2.gz YWGBWEAQQLRIII-RBJSKKJNSA-N 0 0 449.550 5.792 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848695 556930364 /nfs/dbraw/zinc/93/03/64/556930364.db2.gz VWRLBXFGNNQUOS-XMMPIXPASA-N 0 0 449.978 5.730 50 30 IKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848647 556930466 /nfs/dbraw/zinc/93/04/66/556930466.db2.gz CUCLAAWMNHGELU-DEOSSOPVSA-N 0 0 449.522 5.052 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000019867068 556934677 /nfs/dbraw/zinc/93/46/77/556934677.db2.gz BVHGKMCFFRAWEG-DFBJGRDBSA-N 0 0 431.532 5.008 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000019881091 556936947 /nfs/dbraw/zinc/93/69/47/556936947.db2.gz SYSLHZGKUNLUIS-GRKNNNIHSA-N 0 0 442.968 5.522 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1 ZINC000019924560 556944631 /nfs/dbraw/zinc/94/46/31/556944631.db2.gz PFEWZTWVQXTLCZ-VHAYKOJPSA-N 0 0 430.980 6.471 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000019990636 556956740 /nfs/dbraw/zinc/95/67/40/556956740.db2.gz KLNSCUYDKJOSQS-OAQYLSRUSA-N 0 0 434.363 5.837 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 ZINC000019990640 556956763 /nfs/dbraw/zinc/95/67/63/556956763.db2.gz KLNSCUYDKJOSQS-NRFANRHFSA-N 0 0 434.363 5.837 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)CSc1nc(C)cc(C)c1C#N ZINC000097956262 556977173 /nfs/dbraw/zinc/97/71/73/556977173.db2.gz FFDOOHRPIZHWIL-UHFFFAOYSA-N 0 0 445.717 7.260 50 30 IKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000020074544 556978590 /nfs/dbraw/zinc/97/85/90/556978590.db2.gz ZBLQYZPEGBDVHL-ZVHZXABRSA-N 0 0 444.472 5.384 50 30 IKEARN C[C@H](Nc1oc(-c2ccc(Br)o2)nc1C#N)c1cccc(C(F)(F)F)c1 ZINC000072427664 556979845 /nfs/dbraw/zinc/97/98/45/556979845.db2.gz XUNFIZUMKPJMPK-VIFPVBQESA-N 0 0 426.192 5.761 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000033268241 556982639 /nfs/dbraw/zinc/98/26/39/556982639.db2.gz NXUQUBQNTFOZOO-HSZRJFAPSA-N 0 0 444.510 5.241 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)cc1 ZINC000097959767 556984846 /nfs/dbraw/zinc/98/48/46/556984846.db2.gz YZMMWNLFMLYJHN-MOHJPFBDSA-N 0 0 436.621 6.934 50 30 IKEARN C=CCc1cccc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)c1O ZINC000020161204 556993754 /nfs/dbraw/zinc/99/37/54/556993754.db2.gz XYWCRYDODDMEHW-LSHDLFTRSA-N 0 0 434.352 5.284 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21 ZINC000097998495 557004161 /nfs/dbraw/zinc/00/41/61/557004161.db2.gz FQGWXLBTKCQOBM-UHFFFAOYSA-N 0 0 444.579 6.290 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000097998516 557005932 /nfs/dbraw/zinc/00/59/32/557005932.db2.gz NOKCDFZTIWJEFQ-UHFFFAOYSA-N 0 0 444.579 6.041 50 30 IKEARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000020345344 557008787 /nfs/dbraw/zinc/00/87/87/557008787.db2.gz VAJSXTWRMFMWNY-MHZLTWQESA-N 0 0 441.531 5.515 50 30 IKEARN COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1COc1ccccc1C1CCCCC1 ZINC000096936286 557009513 /nfs/dbraw/zinc/00/95/13/557009513.db2.gz YLLNITIABQGAHU-BOPFTXTBSA-N 0 0 442.555 6.924 50 30 IKEARN Cc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12 ZINC000032943052 557011936 /nfs/dbraw/zinc/01/19/36/557011936.db2.gz QDRHIDRJYZBWOD-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN COc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12 ZINC000032943055 557015429 /nfs/dbraw/zinc/01/54/29/557015429.db2.gz KNXBEDDWJTXHAO-UHFFFAOYSA-N 0 0 446.938 5.271 50 30 IKEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 ZINC000032943248 557017878 /nfs/dbraw/zinc/01/78/78/557017878.db2.gz DJJFDPWKVNNESB-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN COc1cccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943274 557018108 /nfs/dbraw/zinc/01/81/08/557018108.db2.gz DSPFBZOGGXSJRP-UHFFFAOYSA-N 0 0 446.938 5.271 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12 ZINC000032943373 557018438 /nfs/dbraw/zinc/01/84/38/557018438.db2.gz PYZOEESJVHDPER-UHFFFAOYSA-N 0 0 444.966 5.824 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1 ZINC000098022875 557028237 /nfs/dbraw/zinc/02/82/37/557028237.db2.gz ZZGAGWVMZOCRLO-SANMLTNESA-N 0 0 438.637 6.771 50 30 IKEARN N#Cc1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153750 557028398 /nfs/dbraw/zinc/02/83/98/557028398.db2.gz AHBYUMUPRZIPJH-UHFFFAOYSA-N 0 0 442.371 5.737 50 30 IKEARN CC(=O)N(c1nc(COC(=O)c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1 ZINC000010807388 557029020 /nfs/dbraw/zinc/02/90/20/557029020.db2.gz OCYUWJOOBVNNIR-UHFFFAOYSA-N 0 0 445.422 5.075 50 30 IKEARN CCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2OCC)c1 ZINC000098021394 557029050 /nfs/dbraw/zinc/02/90/50/557029050.db2.gz RDTAJBYGPLLMLO-VWLOTQADSA-N 0 0 440.609 6.163 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1 ZINC000098021552 557029448 /nfs/dbraw/zinc/02/94/48/557029448.db2.gz HQEDDAJEWFFFQV-XMMPIXPASA-N 0 0 428.573 6.293 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000098021541 557029589 /nfs/dbraw/zinc/02/95/89/557029589.db2.gz FHPSOKBBPOOFQB-AREMUKBSSA-N 0 0 438.637 6.853 50 30 IKEARN O=C(N=C(NCc1ccccn1)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000046126861 557038498 /nfs/dbraw/zinc/03/84/98/557038498.db2.gz PCRXZFGPPNKQGV-UHFFFAOYSA-N 0 0 432.833 5.152 50 30 IKEARN CCOC(=O)c1c2c(C#N)c(CSc3nc4ccccc4o3)cn2c2ccccc2c1C ZINC000048229473 557048565 /nfs/dbraw/zinc/04/85/65/557048565.db2.gz COPIDZZQCVKSRX-UHFFFAOYSA-N 0 0 441.512 5.883 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2-c2ccccc2S1(=O)=O ZINC000033271920 557050418 /nfs/dbraw/zinc/05/04/18/557050418.db2.gz BEINWOVCBZOJNX-UHFFFAOYSA-N 0 0 438.936 5.262 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2ccccc2S1(=O)=O ZINC000033271889 557050451 /nfs/dbraw/zinc/05/04/51/557050451.db2.gz RVCWKUFVEABQDS-UHFFFAOYSA-N 0 0 432.545 5.424 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3c(C)cccc3CC)cc2-c2ccccc2S1(=O)=O ZINC000033271935 557050482 /nfs/dbraw/zinc/05/04/82/557050482.db2.gz VCHOVVKPRRHUFQ-UHFFFAOYSA-N 0 0 432.545 5.171 50 30 IKEARN CC(=O)/N=C1\NC(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1 ZINC000033285995 557063915 /nfs/dbraw/zinc/06/39/15/557063915.db2.gz JOTJXTUQXLFDJK-UFWORHAWSA-N 0 0 444.343 5.103 50 30 IKEARN N#Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1 ZINC000033307393 557086834 /nfs/dbraw/zinc/08/68/34/557086834.db2.gz LFKXDHLJOBKMJR-UHFFFAOYSA-N 0 0 430.851 5.093 50 30 IKEARN Cc1cccc(C)c1/N=C1\Oc2ccccc2N(C(=O)C(F)(F)F)[C@@]1(C)c1ccccn1 ZINC000004763288 557094373 /nfs/dbraw/zinc/09/43/73/557094373.db2.gz BTVFTQFAISVIFA-ZYPBBJIESA-N 0 0 439.437 5.632 50 30 IKEARN CCOc1ccc2cc(/C=C\C(=O)c3c4ccccc4cc4ccccc43)c(Cl)nc2c1 ZINC000097601864 557096143 /nfs/dbraw/zinc/09/61/43/557096143.db2.gz WLTUYJLAJXFZAF-OWBHPGMISA-N 0 0 437.926 7.489 50 30 IKEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O ZINC000033324919 557106915 /nfs/dbraw/zinc/10/69/15/557106915.db2.gz FUGDOBUCZVYHSV-NYHFZMIOSA-N 0 0 436.895 5.309 50 30 IKEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O ZINC000033324917 557106928 /nfs/dbraw/zinc/10/69/28/557106928.db2.gz FUGDOBUCZVYHSV-QRQCRPRQSA-N 0 0 436.895 5.309 50 30 IKEARN COc1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCC#N ZINC000023217663 557113550 /nfs/dbraw/zinc/11/35/50/557113550.db2.gz RSXUDLPJLIXKTL-SAPNQHFASA-N 0 0 438.512 5.672 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1 ZINC000002639467 557119342 /nfs/dbraw/zinc/11/93/42/557119342.db2.gz UKQMPXCZCBOSGS-UHFFFAOYSA-N 0 0 426.545 5.529 50 30 IKEARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)c1 ZINC000012250951 557122330 /nfs/dbraw/zinc/12/23/30/557122330.db2.gz ZOTCRRYIQODVFB-UHFFFAOYSA-N 0 0 439.924 5.022 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1OC ZINC000033348751 557123252 /nfs/dbraw/zinc/12/32/52/557123252.db2.gz YCRSQGDLUVZWJE-UNOMPAQXSA-N 0 0 430.913 5.019 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)SC1=S ZINC000098087073 557123543 /nfs/dbraw/zinc/12/35/43/557123543.db2.gz HHWZJVZFFDQEHR-UNOMPAQXSA-N 0 0 431.966 5.315 50 30 IKEARN O=S(=O)(NCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1)c1ccccc1 ZINC000098086649 557123570 /nfs/dbraw/zinc/12/35/70/557123570.db2.gz YHZLNUVJYSNEOL-KOEQRZSOSA-N 0 0 432.501 5.301 50 30 IKEARN O=C(COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1)NCc1ccccc1 ZINC000098086647 557123589 /nfs/dbraw/zinc/12/35/89/557123589.db2.gz SOMWYUVJROUZRS-VUTHCHCSSA-N 0 0 436.511 5.925 50 30 IKEARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1C ZINC000606422407 557125065 /nfs/dbraw/zinc/12/50/65/557125065.db2.gz XCOQGKATKGKZMC-UHFFFAOYSA-N 0 0 441.535 5.807 50 30 IKEARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1F ZINC000606422339 557125125 /nfs/dbraw/zinc/12/51/25/557125125.db2.gz OERCDBOYKUASKF-UHFFFAOYSA-N 0 0 445.498 5.638 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000033349371 557127769 /nfs/dbraw/zinc/12/77/69/557127769.db2.gz XFGBGNKWVWVKLQ-LICLKQGHSA-N 0 0 436.316 5.808 50 30 IKEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000033352232 557128102 /nfs/dbraw/zinc/12/81/02/557128102.db2.gz SRHPYMJSPOOPMI-QNGOZBTKSA-N 0 0 427.500 5.445 50 30 IKEARN C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000000669280 557131902 /nfs/dbraw/zinc/13/19/02/557131902.db2.gz DSDHDHWRLVRSFP-UHFFFAOYSA-N 0 0 448.379 5.114 50 30 IKEARN COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000024747669 557132914 /nfs/dbraw/zinc/13/29/14/557132914.db2.gz LSVATVNKVQALDL-CSKARUKUSA-N 0 0 426.925 5.694 50 30 IKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000676275 557134065 /nfs/dbraw/zinc/13/40/65/557134065.db2.gz HZTRSTRWVNEPOR-DEOSSOPVSA-N 0 0 446.616 5.960 50 30 IKEARN Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)c1 ZINC000000705786 557140053 /nfs/dbraw/zinc/14/00/53/557140053.db2.gz SYFZHVLMBAGYCL-UHFFFAOYSA-N 0 0 447.610 6.450 50 30 IKEARN COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000009348149 557142878 /nfs/dbraw/zinc/14/28/78/557142878.db2.gz ZHPSZZSUZUNKQM-MFKUBSTISA-N 0 0 446.532 5.086 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 ZINC000000714506 557147769 /nfs/dbraw/zinc/14/77/69/557147769.db2.gz NCBBMZHTJFJXIK-RUZDIDTESA-N 0 0 427.500 5.887 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1Cl ZINC000016247900 557148010 /nfs/dbraw/zinc/14/80/10/557148010.db2.gz GFRHSMQNJXCAJM-BJUXRVGASA-N 0 0 434.348 5.140 50 30 IKEARN COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000717358 557148475 /nfs/dbraw/zinc/14/84/75/557148475.db2.gz WODUYBBJFUQHIG-XMMPIXPASA-N 0 0 442.515 5.369 50 30 IKEARN N#Cc1ccc(Oc2ccccc2N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1 ZINC000000725808 557154668 /nfs/dbraw/zinc/15/46/68/557154668.db2.gz DATAOCYNVUVKBW-UHFFFAOYSA-N 0 0 444.446 5.382 50 30 IKEARN Cc1ccc(-c2nn(C)c(N)c2N=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000016949253 557158340 /nfs/dbraw/zinc/15/83/40/557158340.db2.gz SZTVFBRANHQPQW-NJZZXSBJSA-N 0 0 427.352 5.127 50 30 IKEARN O=C(O/N=C(/Cc1ccccc1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095704682 557159862 /nfs/dbraw/zinc/15/98/62/557159862.db2.gz CQPGCUFKSMXHIQ-MUXKCCDJSA-N 0 0 443.265 6.042 50 30 IKEARN Cc1cc(C)n(C(=O)CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)n1 ZINC000000755433 557167982 /nfs/dbraw/zinc/16/79/82/557167982.db2.gz BKOKBSOMVXXOEB-UHFFFAOYSA-N 0 0 448.548 5.734 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 ZINC000000752719 557168655 /nfs/dbraw/zinc/16/86/55/557168655.db2.gz BKIANYNUNSXZJI-UHFFFAOYSA-N 0 0 426.607 5.220 50 30 IKEARN Cn1c2ccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2n(C)c1=O ZINC000000756560 557170140 /nfs/dbraw/zinc/17/01/40/557170140.db2.gz ZXFAIFYZBLBLBA-AREMUKBSSA-N 0 0 437.543 5.340 50 30 IKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccco2)nc1SCC(=O)Oc1ccccc1 ZINC000000756966 557170432 /nfs/dbraw/zinc/17/04/32/557170432.db2.gz KIJKYTUEAWOYOQ-UHFFFAOYSA-N 0 0 430.460 5.717 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1OC ZINC000000781128 557176411 /nfs/dbraw/zinc/17/64/11/557176411.db2.gz AMBPRWLLGRGDJA-WTYVLRPYSA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1OC ZINC000000781126 557176415 /nfs/dbraw/zinc/17/64/15/557176415.db2.gz AMBPRWLLGRGDJA-PIIWDFAUSA-N 0 0 440.543 5.992 50 30 IKEARN C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000009261537 557184335 /nfs/dbraw/zinc/18/43/35/557184335.db2.gz CWDMSIQLYQLERE-FQEVSTJZSA-N 0 0 441.000 5.537 50 30 IKEARN C=CCNC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1 ZINC000100825748 557189829 /nfs/dbraw/zinc/18/98/29/557189829.db2.gz BIPIQBZJHZFACR-CFBLSMTOSA-N 0 0 432.545 5.021 50 30 IKEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNc1ccc(Br)cc1 ZINC000100833216 557190685 /nfs/dbraw/zinc/19/06/85/557190685.db2.gz RPJMHQHFPUUBIR-KPKJPENVSA-N 0 0 428.511 5.427 50 30 IKEARN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1 ZINC000100840844 557190915 /nfs/dbraw/zinc/19/09/15/557190915.db2.gz LLUDDHWESILQNA-GZCDXWOBSA-N 0 0 430.964 7.704 50 30 IKEARN COc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)cc1 ZINC000100846213 557191803 /nfs/dbraw/zinc/19/18/03/557191803.db2.gz WIBHHSFZORHTGP-MFKUBSTISA-N 0 0 431.400 5.070 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000100851666 557191816 /nfs/dbraw/zinc/19/18/16/557191816.db2.gz CZARGXPMJOQSJW-JWGURIENSA-N 0 0 441.618 6.537 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000100856773 557192749 /nfs/dbraw/zinc/19/27/49/557192749.db2.gz OERNSJQCJYSDMU-NKFKGCMQSA-N 0 0 439.646 7.140 50 30 IKEARN C=CC/N=C(\c1ccc(C)cc1)n1c(=S)nc(-c2ccc(C)cc2)n(CC=C)c1=S ZINC000100862437 557193198 /nfs/dbraw/zinc/19/31/98/557193198.db2.gz HNNMJZBHAKLUEC-NJNXFGOHSA-N 0 0 432.618 6.094 50 30 IKEARN COc1ccc(C[NH+]=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)cc1 ZINC000096288152 557194233 /nfs/dbraw/zinc/19/42/33/557194233.db2.gz GRXOUUVCSLNEFI-WGOQTCKBSA-N 0 0 440.528 5.482 50 30 IKEARN CCCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 ZINC000100867999 557195047 /nfs/dbraw/zinc/19/50/47/557195047.db2.gz PJJHGXVGZRWLMN-ROJZAWDXSA-N 0 0 449.635 7.681 50 30 IKEARN CCCCCCCCCOc1ccc(/C=N/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 ZINC000100886815 557198305 /nfs/dbraw/zinc/19/83/05/557198305.db2.gz SDTKHWMFHXSCKR-HLYLYWOTSA-N 0 0 435.608 7.291 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3ccccc3Cl)C12 ZINC000096319730 557199532 /nfs/dbraw/zinc/19/95/32/557199532.db2.gz ZANBSNHVQUHHKS-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN Cc1cc(C)cc(NC=Cc2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 ZINC000100922335 557202032 /nfs/dbraw/zinc/20/20/32/557202032.db2.gz YVRRLGLZKDJPAI-VAWYXSNFSA-N 0 0 445.497 6.670 50 30 IKEARN CC/N=C1/S/C(=C\c2c(OCc3ccccc3C#N)ccc3ccccc32)C(=O)N1CC ZINC000096793089 557205575 /nfs/dbraw/zinc/20/55/75/557205575.db2.gz OUIYCYOKXUBCCD-IIZUOHISSA-N 0 0 441.556 5.603 50 30 IKEARN C=CCN1C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N\N=C\c1ccc(OC)cc1 ZINC000011612140 557208616 /nfs/dbraw/zinc/20/86/16/557208616.db2.gz PZZFPISBOBBHCJ-UZHBQURLSA-N 0 0 448.375 5.065 50 30 IKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000011614472 557208934 /nfs/dbraw/zinc/20/89/34/557208934.db2.gz KOCPPQOGKJFGLW-YTDNHQLISA-N 0 0 426.428 6.072 50 30 IKEARN O=c1[nH]c2ccccc2cc1C=NNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000011617458 557212433 /nfs/dbraw/zinc/21/24/33/557212433.db2.gz BXODHCGWTZBGSM-VULFUBBASA-N 0 0 425.879 5.238 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000025558058 557214099 /nfs/dbraw/zinc/21/40/99/557214099.db2.gz YCYQULDYTBVOSU-VGOFMYFVSA-N 0 0 436.529 5.284 50 30 IKEARN CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000100049992 557215055 /nfs/dbraw/zinc/21/50/55/557215055.db2.gz LBSYYJRAQHJKTH-PNOGMODKSA-N 0 0 430.507 6.287 50 30 IKEARN CC(C)CC(=O)N[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000025580142 557215976 /nfs/dbraw/zinc/21/59/76/557215976.db2.gz UYHXWYVNRQDRFM-NZYROCMPSA-N 0 0 442.774 5.370 50 30 IKEARN CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)S/C1=N/c1ccc(OC)cc1 ZINC000097466872 557218918 /nfs/dbraw/zinc/21/89/18/557218918.db2.gz FSAKZRQTWREXPL-CFDZAGTRSA-N 0 0 447.354 5.177 50 30 IKEARN CCCCCCCCOc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000100060910 557220505 /nfs/dbraw/zinc/22/05/05/557220505.db2.gz JXVUMQAQZSXBEE-NHFJDJAPSA-N 0 0 442.567 6.001 50 30 IKEARN CN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000025761160 557224565 /nfs/dbraw/zinc/22/45/65/557224565.db2.gz WGSNOXYOCARBGX-MKFXEVHTSA-N 0 0 427.158 6.282 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000101075852 557225696 /nfs/dbraw/zinc/22/56/96/557225696.db2.gz CUZHAURJCHYASZ-NHFXJNLRSA-N 0 0 434.289 5.075 50 30 IKEARN Cc1csc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)n1 ZINC000018026056 557228928 /nfs/dbraw/zinc/22/89/28/557228928.db2.gz CZJZKXPUDLHPHM-UHFFFAOYSA-N 0 0 440.497 5.196 50 30 IKEARN CCCCCCC[NH+]=C(CC)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000018033609 557230293 /nfs/dbraw/zinc/23/02/93/557230293.db2.gz SAVMAVGCQZBMKQ-AFUMVMLFSA-N 0 0 438.519 5.964 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3ccc(Cl)cc3)C12 ZINC000097964546 557230955 /nfs/dbraw/zinc/23/09/55/557230955.db2.gz XWQOACQKCFUJMI-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN C=CCn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000011650704 557231170 /nfs/dbraw/zinc/23/11/70/557231170.db2.gz QIRLOZDGVOFQTL-LJQANCHMSA-N 0 0 448.573 5.347 50 30 IKEARN CCCCCCCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 ZINC000097994903 557231955 /nfs/dbraw/zinc/23/19/55/557231955.db2.gz DTFHOGGFOHRBSO-JOCHJYFZSA-N 0 0 448.563 5.227 50 30 IKEARN CCCCCCCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 ZINC000097994902 557231977 /nfs/dbraw/zinc/23/19/77/557231977.db2.gz DTFHOGGFOHRBSO-QFIPXVFZSA-N 0 0 448.563 5.227 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000018107293 557237304 /nfs/dbraw/zinc/23/73/04/557237304.db2.gz WODPAPKCXDYOQJ-DNOBIOAJSA-N 0 0 444.531 6.354 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006829 557237324 /nfs/dbraw/zinc/23/73/24/557237324.db2.gz DQTUPAIZFSEFNI-LJQANCHMSA-N 0 0 437.363 5.853 50 30 IKEARN CCCCn1c2ccccc2nc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000018120939 557238354 /nfs/dbraw/zinc/23/83/54/557238354.db2.gz LJOIKMBDMABBKI-NLRVBDNBSA-N 0 0 446.576 5.696 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(I)cc2)S/C1=N/c1ccccc1 ZINC000100062701 557239103 /nfs/dbraw/zinc/23/91/03/557239103.db2.gz WHFMYQWZAVJVBL-ZFAMVZCKSA-N 0 0 446.313 5.081 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000100127305 557241706 /nfs/dbraw/zinc/24/17/06/557241706.db2.gz CTKAJFWUYWTFMS-OSPHWJPCSA-N 0 0 449.572 5.301 50 30 IKEARN CO/C(=N/[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 ZINC000018159049 557243904 /nfs/dbraw/zinc/24/39/04/557243904.db2.gz NTSSBJCZIZYUSP-PFRBSUFTSA-N 0 0 430.788 5.071 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000018190270 557246273 /nfs/dbraw/zinc/24/62/73/557246273.db2.gz PURNNGBZHLCNJK-NKDOTSDESA-N 0 0 441.600 5.908 50 30 IKEARN CSc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018195210 557247671 /nfs/dbraw/zinc/24/76/71/557247671.db2.gz GHICSDMMNMNMKW-HXUWFJFHSA-N 0 0 431.561 5.088 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196237 557247997 /nfs/dbraw/zinc/24/79/97/557247997.db2.gz JIBVDMOFOBRWAP-LFVRLGFBSA-N 0 0 435.932 6.088 50 30 IKEARN COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000018196916 557248320 /nfs/dbraw/zinc/24/83/20/557248320.db2.gz DPPKVWONRSMZNE-MHZLTWQESA-N 0 0 441.527 5.847 50 30 IKEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)O2 ZINC000018196544 557248321 /nfs/dbraw/zinc/24/83/21/557248321.db2.gz TUENUWCCBNPJGB-JOCHJYFZSA-N 0 0 439.342 6.078 50 30 IKEARN CC(C)(C)c1cc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc(C(C)(C)C)c1O ZINC000018200342 557249097 /nfs/dbraw/zinc/24/90/97/557249097.db2.gz AABBCWMDIMVUNO-XMMPIXPASA-N 0 0 447.575 6.280 50 30 IKEARN Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200818 557249364 /nfs/dbraw/zinc/24/93/64/557249364.db2.gz DWXRYRSWBFAUSL-QRQCRPRQSA-N 0 0 443.528 5.087 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018199734 557251081 /nfs/dbraw/zinc/25/10/81/557251081.db2.gz BSZSZVHMRDROBO-KOSHJBKYSA-N 0 0 438.556 5.595 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018199725 557251093 /nfs/dbraw/zinc/25/10/93/557251093.db2.gz VLYFPWGBPONZCI-MHECFPHRSA-N 0 0 438.556 5.595 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@@H]3c2ccccc2Cl)cc1OC ZINC000018199313 557251185 /nfs/dbraw/zinc/25/11/85/557251185.db2.gz FGWIEEWJNLXGFK-WNSKOXEYSA-N 0 0 449.938 5.347 50 30 IKEARN COc1ccc(CN2C(=O)/C(=C/c3c[nH]c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000100236185 557253848 /nfs/dbraw/zinc/25/38/48/557253848.db2.gz PXCYRMCBCGIPEI-IIZUOHISSA-N 0 0 439.540 5.981 50 30 IKEARN CCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3s2)cc1 ZINC000027018242 557254561 /nfs/dbraw/zinc/25/45/61/557254561.db2.gz WRYNQFBHUANZOU-CAPFRKAQSA-N 0 0 445.540 6.136 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000101104140 557255622 /nfs/dbraw/zinc/25/56/22/557255622.db2.gz RTKMTWAHZZSDBE-NHFXJNLRSA-N 0 0 434.289 5.075 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 ZINC000100259569 557256074 /nfs/dbraw/zinc/25/60/74/557256074.db2.gz CETBOSDRFADZJF-LTUYXDACSA-N 0 0 445.588 6.117 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000100284945 557256518 /nfs/dbraw/zinc/25/65/18/557256518.db2.gz JUGUYCBWOZLTCY-UHFFFAOYSA-N 0 0 447.417 7.613 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2ccccc2n1 ZINC000000816366 557257288 /nfs/dbraw/zinc/25/72/88/557257288.db2.gz NYYUMKZGTCIDAU-UHFFFAOYSA-N 0 0 435.940 5.064 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000100307152 557257402 /nfs/dbraw/zinc/25/74/02/557257402.db2.gz QOIJAZYHGUNKLA-UHFFFAOYSA-N 0 0 442.640 8.268 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000100345971 557258069 /nfs/dbraw/zinc/25/80/69/557258069.db2.gz JUPPCYMDCKUKNV-VLSFKVKESA-N 0 0 429.447 5.017 50 30 IKEARN CCCCCCCCCCCC[C@@H]1CCCCC1=NOC(=O)Nc1ccccc1Cl ZINC000100442499 557261365 /nfs/dbraw/zinc/26/13/65/557261365.db2.gz XIVDVFMFBDHNHZ-CNDSNSFTSA-N 0 0 435.052 8.746 50 30 IKEARN O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100499062 557262274 /nfs/dbraw/zinc/26/22/74/557262274.db2.gz BKVSGKFSOGKEMG-JDFKBJJRSA-N 0 0 427.451 6.052 50 30 IKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O ZINC000100505553 557262682 /nfs/dbraw/zinc/26/26/82/557262682.db2.gz JGVNGGKGSNSQAK-ZMOGYAJESA-N 0 0 437.293 6.112 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000100502866 557262758 /nfs/dbraw/zinc/26/27/58/557262758.db2.gz SWCRZESAOKBJCZ-BHGWPJFGSA-N 0 0 441.256 5.861 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000027546937 557264675 /nfs/dbraw/zinc/26/46/75/557264675.db2.gz LMOMWKOSFYAEJB-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000820459 557267479 /nfs/dbraw/zinc/26/74/79/557267479.db2.gz JTIQQTDBHFYHSA-AREMUKBSSA-N 0 0 443.543 6.175 50 30 IKEARN CCCC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)CCC)C1c1cccc([N+](=O)[O-])c1 ZINC000000823450 557269127 /nfs/dbraw/zinc/26/91/27/557269127.db2.gz MHYIMRXKELKIOV-UHFFFAOYSA-N 0 0 432.520 5.700 50 30 IKEARN C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000100685922 557269311 /nfs/dbraw/zinc/26/93/11/557269311.db2.gz GTMJEAVXRNJUAA-WIYYLYMNSA-N 0 0 429.383 5.193 50 30 IKEARN Fc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)cc1 ZINC000101294081 557269591 /nfs/dbraw/zinc/26/95/91/557269591.db2.gz WHZFABWWYKYMFM-YSURURNPSA-N 0 0 439.240 5.876 50 30 IKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000000828098 557271566 /nfs/dbraw/zinc/27/15/66/557271566.db2.gz CGXILCRLQXCGAY-UHFFFAOYSA-N 0 0 440.536 5.113 50 30 IKEARN COc1ccc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000000828729 557271818 /nfs/dbraw/zinc/27/18/18/557271818.db2.gz PZAYJGYNCHIXMY-DEOSSOPVSA-N 0 0 434.333 6.284 50 30 IKEARN N#Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000100935128 557279195 /nfs/dbraw/zinc/27/91/95/557279195.db2.gz ALXRAJNZXSEGFK-MZJWZYIUSA-N 0 0 437.411 5.873 50 30 IKEARN Cc1cccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000100971574 557280026 /nfs/dbraw/zinc/28/00/26/557280026.db2.gz ZRCJIXRZXOCBDR-FPEJUQHSSA-N 0 0 429.545 5.468 50 30 IKEARN CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)S/C1=N/c1ccccc1 ZINC000101431228 557285086 /nfs/dbraw/zinc/28/50/86/557285086.db2.gz JTKJPGWNQOYENL-WZDJMGEGSA-N 0 0 449.620 5.626 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000101558124 557291120 /nfs/dbraw/zinc/29/11/20/557291120.db2.gz CAQOZZZQCNHEAC-ZBNITPKASA-N 0 0 446.528 5.259 50 30 IKEARN CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC ZINC000101696170 557293845 /nfs/dbraw/zinc/29/38/45/557293845.db2.gz FXLCHAHQBTVRRJ-LRXZINBSSA-N 0 0 444.984 5.630 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000101696057 557293996 /nfs/dbraw/zinc/29/39/96/557293996.db2.gz FFBCYWJTOBHJQY-JHXFIANCSA-N 0 0 432.545 5.349 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccccc2C(F)(F)F)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000101624564 557294458 /nfs/dbraw/zinc/29/44/58/557294458.db2.gz SJHRUOFFLPUEPT-UHFFFAOYSA-N 0 0 436.470 6.191 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000014066220 557295044 /nfs/dbraw/zinc/29/50/44/557295044.db2.gz ZCBFXFOIOCFPBC-LJQANCHMSA-N 0 0 439.533 5.163 50 30 IKEARN COc1ccc(C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)c2nc3ccccc3o2)cc1 ZINC000033381835 557295233 /nfs/dbraw/zinc/29/52/33/557295233.db2.gz TYQQTMYXCXESNK-UYRXBGFRSA-N 0 0 445.471 5.286 50 30 IKEARN Cc1nc(C=CNc2cccc(Cl)c2)c(C#N)c(-c2c(Cl)cccc2Cl)c1C#N ZINC000100101079 557298931 /nfs/dbraw/zinc/29/89/31/557298931.db2.gz NONPPBPANBWXHD-CMDGGOBGSA-N 0 0 439.733 6.843 50 30 IKEARN C[C@@H]1CC/C(=C\c2c(Cl)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000102265845 557300838 /nfs/dbraw/zinc/30/08/38/557300838.db2.gz OMNFGJKJTUMWAP-VGBRZCOJSA-N 0 0 426.170 7.766 50 30 IKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)c(Cl)c1 ZINC000102311730 557300948 /nfs/dbraw/zinc/30/09/48/557300948.db2.gz NZUWERNBMZBVHC-ZMOGYAJESA-N 0 0 432.823 6.167 50 30 IKEARN O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1cc2ccccc2o1 ZINC000102419350 557301825 /nfs/dbraw/zinc/30/18/25/557301825.db2.gz KKMSTLUWAXEZDJ-ZMOGYAJESA-N 0 0 435.277 5.904 50 30 IKEARN COc1cc(/N=C/c2c(O)ccc3ccccc32)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102417228 557301835 /nfs/dbraw/zinc/30/18/35/557301835.db2.gz VCJAKKYCJUBGGA-LQKURTRISA-N 0 0 436.467 6.303 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@@H]3C2=O)c1 ZINC000102536545 557303538 /nfs/dbraw/zinc/30/35/38/557303538.db2.gz HWIHXMLIRVYVIF-XRODADMRSA-N 0 0 438.612 6.248 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000002849137 557305093 /nfs/dbraw/zinc/30/50/93/557305093.db2.gz VYZFQUOROMORID-UHFFFAOYSA-N 0 0 449.363 5.081 50 30 IKEARN Cc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(C)n1C1CC1 ZINC000101974207 557309486 /nfs/dbraw/zinc/30/94/86/557309486.db2.gz DELCHVFJSPRIGE-RUZDIDTESA-N 0 0 440.591 6.135 50 30 IKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000002860935 557312553 /nfs/dbraw/zinc/31/25/53/557312553.db2.gz SFJMUWIIYMIKSK-UHFFFAOYSA-N 0 0 444.329 6.071 50 30 IKEARN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1Cl ZINC000002856294 557312572 /nfs/dbraw/zinc/31/25/72/557312572.db2.gz UDUPFZRIZQJCKC-UHFFFAOYSA-N 0 0 441.969 5.125 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccco1 ZINC000002862366 557313089 /nfs/dbraw/zinc/31/30/89/557313089.db2.gz UNYNJUPYCVHHHQ-UHFFFAOYSA-N 0 0 442.850 5.127 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccc(Br)c1)Nc1ccccc1-2 ZINC000002878641 557313391 /nfs/dbraw/zinc/31/33/91/557313391.db2.gz BEUDILDRAPKPFR-KRWDZBQOSA-N 0 0 427.327 5.082 50 30 IKEARN Cc1c(OC/C(=N/O)c2ccc(Cl)cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000100110397 557313424 /nfs/dbraw/zinc/31/34/24/557313424.db2.gz SXTWFWLDLALBNI-NFFVHWSESA-N 0 0 447.918 5.911 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102137245 557313569 /nfs/dbraw/zinc/31/35/69/557313569.db2.gz KDOUMEBUEPCNCB-QFIPXVFZSA-N 0 0 449.501 5.983 50 30 IKEARN N#Cc1ccccc1-c1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1 ZINC000014185356 557313641 /nfs/dbraw/zinc/31/36/41/557313641.db2.gz WIMPUCJFKJRXAB-UHFFFAOYSA-N 0 0 428.586 6.096 50 30 IKEARN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000014183616 557314188 /nfs/dbraw/zinc/31/41/88/557314188.db2.gz AEGNEWZDVWDISL-CQSZACIVSA-N 0 0 438.578 5.366 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cc2cccc(OC)c2o1 ZINC000002859644 557315302 /nfs/dbraw/zinc/31/53/02/557315302.db2.gz QHVZSMRGFCLLIX-UHFFFAOYSA-N 0 0 448.548 5.179 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S ZINC000002847752 557316399 /nfs/dbraw/zinc/31/63/99/557316399.db2.gz CAORUSWTRMNMPI-KGENOOAVSA-N 0 0 425.575 5.360 50 30 IKEARN CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 ZINC000103710874 557318062 /nfs/dbraw/zinc/31/80/62/557318062.db2.gz NLFNSWMTPUMXMU-AERNQAQFSA-N 0 0 443.601 5.400 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccc(F)c(Cl)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943208 557318914 /nfs/dbraw/zinc/31/89/14/557318914.db2.gz ZRTYVJVNKWJDMT-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c(C)n1 ZINC000032972861 557319762 /nfs/dbraw/zinc/31/97/62/557319762.db2.gz OAGIJKVIFYGXMN-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c1C ZINC000032972047 557319785 /nfs/dbraw/zinc/31/97/85/557319785.db2.gz DFWXPIJZOPJJPG-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 ZINC000002874277 557320363 /nfs/dbraw/zinc/32/03/63/557320363.db2.gz KISTUDHVAUUGKV-NRFANRHFSA-N 0 0 448.935 6.233 50 30 IKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc(Br)ccc1O ZINC000002854630 557324902 /nfs/dbraw/zinc/32/49/02/557324902.db2.gz IVRYQSAECHJZGR-UHFFFAOYSA-N 0 0 436.762 5.545 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1OC ZINC000002849906 557327096 /nfs/dbraw/zinc/32/70/96/557327096.db2.gz CNTMCKKRZSCLTI-YBEGLDIGSA-N 0 0 448.700 5.020 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(Br)c1)Nc1ccccc1-2 ZINC000002878640 557327117 /nfs/dbraw/zinc/32/71/17/557327117.db2.gz BEUDILDRAPKPFR-QGZVFWFLSA-N 0 0 427.327 5.082 50 30 IKEARN CCOc1ccc(/N=C2\c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000102452757 557327520 /nfs/dbraw/zinc/32/75/20/557327520.db2.gz WDDHFCKHYYDBCB-XTCLZLMSSA-N 0 0 425.315 6.060 50 30 IKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(CC(=O)OC)c1=N ZINC000102453232 557327846 /nfs/dbraw/zinc/32/78/46/557327846.db2.gz JKBHURDWZYQFGO-UHFFFAOYSA-N 0 0 429.649 6.577 50 30 IKEARN CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)C[C@H](c2ccccc2)CC1=O ZINC000100140344 557333940 /nfs/dbraw/zinc/33/39/40/557333940.db2.gz RBAJGAYYGOVLAB-QFIPXVFZSA-N 0 0 449.591 5.386 50 30 IKEARN Cc1ccc(N=NC(N=Nc2ccc(C)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100142876 557334255 /nfs/dbraw/zinc/33/42/55/557334255.db2.gz XKWBOQVHSLRVGV-HDMRNDRWSA-N 0 0 431.849 6.928 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000100145059 557334502 /nfs/dbraw/zinc/33/45/02/557334502.db2.gz WYDWSLXKZMJAJY-XXFRDUSWSA-N 0 0 440.455 5.086 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000100145065 557334525 /nfs/dbraw/zinc/33/45/25/557334525.db2.gz WUAROROZZYANGT-USXRGHEGSA-N 0 0 429.903 5.831 50 30 IKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(F)cc1 ZINC000033405975 557334539 /nfs/dbraw/zinc/33/45/39/557334539.db2.gz LJWULEZOSMQOMP-ZROIWOOFSA-N 0 0 446.319 7.008 50 30 IKEARN CCOc1ccc(CC(NCc2ccccc2)=C2C(=O)CC(C)(C)CC2=O)cc1OCC ZINC000100147596 557335117 /nfs/dbraw/zinc/33/51/17/557335117.db2.gz CTVWWTQPDUJIAH-UHFFFAOYSA-N 0 0 435.564 5.029 50 30 IKEARN C=CCn1c(SCC(=O)NC2CCCCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000014356548 557335447 /nfs/dbraw/zinc/33/54/47/557335447.db2.gz FFIVYPAQXACZGV-UHFFFAOYSA-N 0 0 440.657 5.750 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC12CC3CC(CC(C3)C1)C2 ZINC000014358276 557335756 /nfs/dbraw/zinc/33/57/56/557335756.db2.gz ANWRATIVJPTIIW-UHFFFAOYSA-N 0 0 448.657 6.620 50 30 IKEARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000014360826 557335784 /nfs/dbraw/zinc/33/57/84/557335784.db2.gz CXDCFVVJCDOFSQ-UHFFFAOYSA-N 0 0 428.517 5.027 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000102501012 557338171 /nfs/dbraw/zinc/33/81/71/557338171.db2.gz VEXIJUURWJQFRF-MRJHHRETSA-N 0 0 444.487 5.370 50 30 IKEARN CCOc1ccc(CC(=O)C2=C(NCCc3ccccc3)CC(C)(C)CC2=O)cc1OCC ZINC000100162359 557339332 /nfs/dbraw/zinc/33/93/32/557339332.db2.gz BAJAZOREJNQMND-UHFFFAOYSA-N 0 0 449.591 5.071 50 30 IKEARN CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000100166415 557340588 /nfs/dbraw/zinc/34/05/88/557340588.db2.gz NRTYLZACQRNWSO-LGMDPLHJSA-N 0 0 447.402 7.936 50 30 IKEARN CCCCCCCCOc1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000100168324 557340895 /nfs/dbraw/zinc/34/08/95/557340895.db2.gz ACZPKOGLEXCFJW-OQKWZONESA-N 0 0 437.496 5.591 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102533900 557344223 /nfs/dbraw/zinc/34/42/23/557344223.db2.gz RGPZFPVPVVZFBS-MRJHHRETSA-N 0 0 448.862 5.183 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000102535529 557344783 /nfs/dbraw/zinc/34/47/83/557344783.db2.gz YFTNJXYEULJUHS-WOOAAIBNSA-N 0 0 438.936 5.348 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 ZINC000102541275 557348014 /nfs/dbraw/zinc/34/80/14/557348014.db2.gz KHRNUCZVOCCLJL-JBCNATCCSA-N 0 0 426.497 5.231 50 30 IKEARN Cc1ccc(-c2ccc(CCC(=O)NCCOC(C)C)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023336260 557348770 /nfs/dbraw/zinc/34/87/70/557348770.db2.gz NSEVSEFWKBPWPK-UHFFFAOYSA-N 0 0 443.591 5.301 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2CCCOC(C)C ZINC000023334593 557349443 /nfs/dbraw/zinc/34/94/43/557349443.db2.gz QWBZAVBBRLPAMP-UHFFFAOYSA-N 0 0 437.565 5.192 50 30 IKEARN N#Cc1ccccc1-c1ccc(COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1 ZINC000023389454 557352538 /nfs/dbraw/zinc/35/25/38/557352538.db2.gz JLRBEBDMBQTFDD-UHFFFAOYSA-N 0 0 432.694 5.520 50 30 IKEARN CCCN(CCC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 ZINC000023426338 557353499 /nfs/dbraw/zinc/35/34/99/557353499.db2.gz PFVUPZXOZNILEE-UHFFFAOYSA-N 0 0 441.619 6.408 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527980 557354130 /nfs/dbraw/zinc/35/41/30/557354130.db2.gz IEELTGDAKUDOCY-JBCNATCCSA-N 0 0 441.955 5.096 50 30 IKEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000102589227 557356695 /nfs/dbraw/zinc/35/66/95/557356695.db2.gz UMQVFVJDTWTEQV-MOBKVPTQSA-N 0 0 433.891 5.283 50 30 IKEARN CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000023451818 557357413 /nfs/dbraw/zinc/35/74/13/557357413.db2.gz OZCVHGHABQKEGM-AREMUKBSSA-N 0 0 444.556 5.436 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102602114 557357784 /nfs/dbraw/zinc/35/77/84/557357784.db2.gz WFFZWQJUYCGRDV-LFVOPCPISA-N 0 0 428.271 5.208 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102613899 557359190 /nfs/dbraw/zinc/35/91/90/557359190.db2.gz GRDAQYUSBOMGDQ-JBCNATCCSA-N 0 0 438.310 5.928 50 30 IKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102621439 557359630 /nfs/dbraw/zinc/35/96/30/557359630.db2.gz MEOYOBMIGCKVMI-AYWGPLOBSA-N 0 0 446.503 5.178 50 30 IKEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c2c1 ZINC000044167699 557365222 /nfs/dbraw/zinc/36/52/22/557365222.db2.gz ZTUZBBKNCPXPBR-UHFFFAOYSA-N 0 0 446.576 5.082 50 30 IKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1[O-] ZINC000003113146 557365421 /nfs/dbraw/zinc/36/54/21/557365421.db2.gz SUQXUZXSFCWDED-AUEPDCJTSA-N 0 0 428.231 6.166 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 ZINC000524729926 557368767 /nfs/dbraw/zinc/36/87/67/557368767.db2.gz OMHSTCAJNFYUBR-SGMQAHBGSA-N 0 0 426.468 5.573 50 30 biogenic IKEARN O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)CCC/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000011690450 557369870 /nfs/dbraw/zinc/36/98/70/557369870.db2.gz RBJJAWPBKHYHSE-NWILIBCHSA-N 0 0 442.461 7.705 50 30 IKEARN Cc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1 ZINC000100222880 557371726 /nfs/dbraw/zinc/37/17/26/557371726.db2.gz LVZFJEWUZGATPC-QLYXXIJNSA-N 0 0 436.920 5.019 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1 ZINC000102752275 557383128 /nfs/dbraw/zinc/38/31/28/557383128.db2.gz OQOWORRFRKYSAD-MOBKVPTQSA-N 0 0 444.874 5.103 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)sc2c1 ZINC000102805148 557386794 /nfs/dbraw/zinc/38/67/94/557386794.db2.gz HGMBSJAACADSDG-NHFXJNLRSA-N 0 0 430.485 5.078 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102797492 557389136 /nfs/dbraw/zinc/38/91/36/557389136.db2.gz RTVNIEMZFPPXBH-JBCNATCCSA-N 0 0 432.545 5.063 50 30 IKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100241726 557389255 /nfs/dbraw/zinc/38/92/55/557389255.db2.gz UNLBWLGZDUAXKR-AZYSCILLSA-N 0 0 443.474 5.407 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000102799926 557390230 /nfs/dbraw/zinc/39/02/30/557390230.db2.gz DAAUOTKSHYACPX-YDJIHCHBSA-N 0 0 442.353 5.451 50 30 IKEARN O=C(C=C(Nc1ccc(Br)cc1)C(F)(F)F)c1ccc(Br)cc1 ZINC000102810465 557393161 /nfs/dbraw/zinc/39/31/61/557393161.db2.gz JKPZBHYOSUHICB-DHDCSXOGSA-N 0 0 449.064 5.953 50 30 IKEARN CCCCCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000102818155 557393338 /nfs/dbraw/zinc/39/33/38/557393338.db2.gz OEQDYQIGOFDMBO-UHFFFAOYSA-N 0 0 448.542 6.202 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102874376 557396545 /nfs/dbraw/zinc/39/65/45/557396545.db2.gz FEGKTRBVPUAEJG-NHFXJNLRSA-N 0 0 430.485 5.132 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Br)cn1 ZINC000100283915 557397722 /nfs/dbraw/zinc/39/77/22/557397722.db2.gz FAKPBBSAFPWERE-UHFFFAOYSA-N 0 0 439.482 8.044 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000102857980 557399193 /nfs/dbraw/zinc/39/91/93/557399193.db2.gz XADIILSENQXNOH-ZHHPLPSFSA-N 0 0 431.919 5.313 50 30 IKEARN C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1 ZINC000033453838 557399243 /nfs/dbraw/zinc/39/92/43/557399243.db2.gz KUDIFHJEAAEZSH-SYGJWTDRSA-N 0 0 447.604 5.361 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102858971 557399470 /nfs/dbraw/zinc/39/94/70/557399470.db2.gz CGUGPNGMUCWTCC-MRJHHRETSA-N 0 0 444.487 5.370 50 30 IKEARN O=C1C(=NNc2cccc(Cl)c2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000100327069 557399523 /nfs/dbraw/zinc/39/95/23/557399523.db2.gz GAQPMPZOZPUXJZ-LHLOQNFPSA-N 0 0 430.722 6.010 50 30 IKEARN O=C1C(=NNc2ccccc2Cl)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000100327068 557399561 /nfs/dbraw/zinc/39/95/61/557399561.db2.gz JIXACJSDUOSTKW-LHLOQNFPSA-N 0 0 430.722 6.010 50 30 IKEARN COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C ZINC000100319180 557399602 /nfs/dbraw/zinc/39/96/02/557399602.db2.gz QEKANXFTDOFSFP-LMTJQJACSA-N 0 0 434.605 6.674 50 30 IKEARN COc1ccc(C(=O)C(=CNc2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 ZINC000100338229 557400222 /nfs/dbraw/zinc/40/02/22/557400222.db2.gz LWJFMJCNKCGKDR-PXLXIMEGSA-N 0 0 427.422 6.059 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102860986 557401716 /nfs/dbraw/zinc/40/17/16/557401716.db2.gz HJUJNWSQBWVYSQ-MOBKVPTQSA-N 0 0 440.524 5.539 50 30 IKEARN N#Cc1c(C=CNc2ccccc2-c2ccccc2)onc1-c1c(Cl)cccc1Cl ZINC000100403633 557402100 /nfs/dbraw/zinc/40/21/00/557402100.db2.gz FVARQXMNMCDWDV-BUHFOSPRSA-N 0 0 432.310 7.270 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000100439826 557403412 /nfs/dbraw/zinc/40/34/12/557403412.db2.gz SRZSCRJSEZOMRE-YDJIHCHBSA-N 0 0 434.289 5.075 50 30 IKEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C(C)C)CC1=O ZINC000004910384 557403517 /nfs/dbraw/zinc/40/35/17/557403517.db2.gz HLVDEGOYHNJLMV-NRFANRHFSA-N 0 0 431.580 5.439 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102876974 557406735 /nfs/dbraw/zinc/40/67/35/557406735.db2.gz TUGQIINDJIIWLG-MRJHHRETSA-N 0 0 438.310 5.928 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102877173 557406779 /nfs/dbraw/zinc/40/67/79/557406779.db2.gz DNSKRIVHMVOPGI-SELCWUDQSA-N 0 0 448.744 5.324 50 30 IKEARN O=C(C=CNc1cccc([N+](=O)[O-])c1)c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000100482271 557408942 /nfs/dbraw/zinc/40/89/42/557408942.db2.gz NORWHDKICJKJIV-ZHACJKMWSA-N 0 0 426.831 5.775 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102883958 557409105 /nfs/dbraw/zinc/40/91/05/557409105.db2.gz LKDWWGIPGQVYER-MOBKVPTQSA-N 0 0 440.524 5.539 50 30 IKEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1cccs1 ZINC000033545988 557410534 /nfs/dbraw/zinc/41/05/34/557410534.db2.gz JJUALBCCGPPRSX-UHFFFAOYSA-N 0 0 442.581 5.114 50 30 IKEARN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257360753 557412602 /nfs/dbraw/zinc/41/26/02/557412602.db2.gz DOMWKUIIPQCAJU-NHPRTDBSSA-N 0 0 428.613 5.970 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl ZINC000102930990 557412780 /nfs/dbraw/zinc/41/27/80/557412780.db2.gz HJHGJWDSOMTVAL-JBCNATCCSA-N 0 0 438.310 5.928 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)c1c(O)cc(-c3ccccc3)cc1N2 ZINC000102931314 557412809 /nfs/dbraw/zinc/41/28/09/557412809.db2.gz DAZPGYPCGSSAIF-MHZLTWQESA-N 0 0 447.513 6.188 50 30 IKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102948783 557413353 /nfs/dbraw/zinc/41/33/53/557413353.db2.gz KDFILFKHIZHORG-XMMPIXPASA-N 0 0 427.548 5.698 50 30 IKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102948781 557413406 /nfs/dbraw/zinc/41/34/06/557413406.db2.gz KDFILFKHIZHORG-DEOSSOPVSA-N 0 0 427.548 5.698 50 30 IKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102948798 557413695 /nfs/dbraw/zinc/41/36/95/557413695.db2.gz GVFOMTJSYWRVDJ-XMMPIXPASA-N 0 0 443.547 5.399 50 30 IKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)cc1 ZINC000033587657 557414497 /nfs/dbraw/zinc/41/44/97/557414497.db2.gz MRPWWQUBTFOASD-CSKARUKUSA-N 0 0 428.315 5.986 50 30 IKEARN CCCCCCCCCCCC(=O)N1CCCN(c2nc(C)nc(C)c2C(C)C)CC1 ZINC000102999882 557415173 /nfs/dbraw/zinc/41/51/73/557415173.db2.gz XPNOMNCYUUWDNH-UHFFFAOYSA-N 0 0 430.681 6.176 50 30 IKEARN CCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC ZINC000102992756 557415763 /nfs/dbraw/zinc/41/57/63/557415763.db2.gz VMKWGLNLSUTWAM-UZLBHIALSA-N 0 0 446.617 5.044 50 30 IKEARN CCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1 ZINC000102993697 557416011 /nfs/dbraw/zinc/41/60/11/557416011.db2.gz ZPFRNWYPIJAYMS-HSZRJFAPSA-N 0 0 443.588 5.299 50 30 IKEARN Cc1ccc(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1 ZINC000103619743 557439225 /nfs/dbraw/zinc/43/92/25/557439225.db2.gz LLLKLEOUAQILTI-UHFFFAOYSA-N 0 0 436.299 5.525 50 30 IKEARN CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000103908176 557442602 /nfs/dbraw/zinc/44/26/02/557442602.db2.gz ZVAWYBZJGZAZBX-NTMALXAHSA-N 0 0 431.388 6.266 50 30 IKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 ZINC000104082440 557449881 /nfs/dbraw/zinc/44/98/81/557449881.db2.gz ZSRYAQQDQCAALM-KHELOEERSA-N 0 0 425.484 5.186 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000104101301 557450364 /nfs/dbraw/zinc/45/03/64/557450364.db2.gz RMIMPNSDTLFUQX-JBCNATCCSA-N 0 0 437.854 5.114 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000104224670 557453459 /nfs/dbraw/zinc/45/34/59/557453459.db2.gz LTLUXBLODOXHJH-MOBKVPTQSA-N 0 0 446.934 5.659 50 30 IKEARN C=CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)N=C3C)o2)cc1 ZINC000104652512 557457252 /nfs/dbraw/zinc/45/72/52/557457252.db2.gz KDKUDKHEJXMNLI-PXLXIMEGSA-N 0 0 430.435 5.235 50 30 IKEARN Cc1cccn2c(=O)c(/C=N/Cc3ccco3)c(Nc3ccc(SC(F)F)cc3)nc12 ZINC000003179444 557523498 /nfs/dbraw/zinc/52/34/98/557523498.db2.gz ILKSRLCCUVCXOX-DHRITJCHSA-N 0 0 440.475 5.273 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(C)cc2)cc1 ZINC000044858804 557537947 /nfs/dbraw/zinc/53/79/47/557537947.db2.gz UQXLGNYKULKNHM-DEOSSOPVSA-N 0 0 440.547 5.410 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn3[C@@H]2c2ccccc2)C1 ZINC000044858823 557538033 /nfs/dbraw/zinc/53/80/33/557538033.db2.gz PBBYXVNTLFBFJX-JOCHJYFZSA-N 0 0 446.938 5.447 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2Cl)cc1 ZINC000044859087 557538268 /nfs/dbraw/zinc/53/82/68/557538268.db2.gz ZLLGNARPMMGWAF-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccc(F)cc3)cnn21 ZINC000044859180 557538296 /nfs/dbraw/zinc/53/82/96/557538296.db2.gz ZKVQVYKECULKID-QHCPKHFHSA-N 0 0 444.510 5.241 50 30 IKEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 ZINC000044858995 557538305 /nfs/dbraw/zinc/53/83/05/557538305.db2.gz GBDIRQJVQJYWOC-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccc(F)cc3)cnn21 ZINC000044859177 557538329 /nfs/dbraw/zinc/53/83/29/557538329.db2.gz ZKVQVYKECULKID-HSZRJFAPSA-N 0 0 444.510 5.241 50 30 IKEARN Cc1ccc([C@H]2c3c(N)nc(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000044973569 557541702 /nfs/dbraw/zinc/54/17/02/557541702.db2.gz DWMQXSRUQJLNSG-LJQANCHMSA-N 0 0 436.625 5.706 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@@H]2c1ccccc1 ZINC000044973588 557541746 /nfs/dbraw/zinc/54/17/46/557541746.db2.gz HUVPILIJOWCQGE-HXUWFJFHSA-N 0 0 442.588 5.552 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@H]2c1cccs1 ZINC000044973611 557541809 /nfs/dbraw/zinc/54/18/09/557541809.db2.gz RSXMWSWDELGHFV-IBGZPJMESA-N 0 0 448.617 5.613 50 30 IKEARN CSc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)c1 ZINC000045939499 557548360 /nfs/dbraw/zinc/54/83/60/557548360.db2.gz YNRNESLFHYJHAZ-UHFFFAOYSA-N 0 0 432.593 5.499 50 30 IKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)cc1 ZINC000045940309 557548815 /nfs/dbraw/zinc/54/88/15/557548815.db2.gz YZGUTVVOQRALER-SFHVURJKSA-N 0 0 446.551 5.010 50 30 IKEARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1Cl ZINC000000841597 557685444 /nfs/dbraw/zinc/68/54/44/557685444.db2.gz UYRPGXUBVCRMNZ-UHFFFAOYSA-N 0 0 428.138 6.516 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC[NH+]3CCCCC3)n2)cc1 ZINC000000862953 557836316 /nfs/dbraw/zinc/83/63/16/557836316.db2.gz YVNVBCGUQRGVON-UHFFFAOYSA-N 0 0 429.589 5.874 50 30 IKEARN CC(C)(C)C1=CC(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C=C(C(C)(C)C)C1=O ZINC000685944631 557839216 /nfs/dbraw/zinc/83/92/16/557839216.db2.gz QQGSICPKDBEZIX-UHFFFAOYSA-N 0 0 436.595 7.923 50 30 IKEARN N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000000865634 557839554 /nfs/dbraw/zinc/83/95/54/557839554.db2.gz DBSYBNNTKIBHEC-HZPDHXFCSA-N 0 0 445.832 5.321 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000878317 557848653 /nfs/dbraw/zinc/84/86/53/557848653.db2.gz QDEHJTSYTDHTBW-XMMPIXPASA-N 0 0 430.548 5.246 50 30 IKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000878313 557848690 /nfs/dbraw/zinc/84/86/90/557848690.db2.gz QDEHJTSYTDHTBW-DEOSSOPVSA-N 0 0 430.548 5.246 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000003982475 560193038 /nfs/dbraw/zinc/19/30/38/560193038.db2.gz FVWJYYTZTCVBKE-MHYAHYFVSA-N 0 0 442.728 6.997 50 30 biogenic,in-vitro IKEARN O=C1/C(=C/c2cccc(Br)c2)CCC/C1=C\c1cccc(Br)c1 ZINC000004547095 562943351 /nfs/dbraw/zinc/94/33/51/562943351.db2.gz AHJCUJSTWXHHHI-OTYYAQKOSA-N 0 0 432.155 6.432 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cccnc3)C2)cc1 ZINC000001001499 562919946 /nfs/dbraw/zinc/91/99/46/562919946.db2.gz VQEAGRYMZHFYAX-CCLHPLFOSA-N 0 0 439.515 5.011 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cccnc3)C2)cc1 ZINC000001001501 562919948 /nfs/dbraw/zinc/91/99/48/562919948.db2.gz VQEAGRYMZHFYAX-NFQMXDRXSA-N 0 0 439.515 5.011 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cccnc3)C2)cc1 ZINC000001001500 562919969 /nfs/dbraw/zinc/91/99/69/562919969.db2.gz VQEAGRYMZHFYAX-DCFHFQCYSA-N 0 0 439.515 5.011 50 30 IKEARN O=C(OCC#CCSc1nnc(-c2cccc3ccccc32)o1)c1cc2ccccc2o1 ZINC000002420520 562927534 /nfs/dbraw/zinc/92/75/34/562927534.db2.gz ZJCRSXLZUQPWCS-UHFFFAOYSA-N 0 0 440.480 5.589 50 30 IKEARN N#CCCn1nc(-c2ccc(Cl)cc2)cc1Nc1ccccc1NC(=O)C(F)(F)F ZINC000002641129 562929061 /nfs/dbraw/zinc/92/90/61/562929061.db2.gz VOMAOMHOLKCWSS-UHFFFAOYSA-N 0 0 433.821 5.362 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000004073999 562941436 /nfs/dbraw/zinc/94/14/36/562941436.db2.gz FVWJYYTZTCVBKE-PGROKZIJSA-N 0 0 442.728 6.997 50 30 biogenic IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000004081455 562941616 /nfs/dbraw/zinc/94/16/16/562941616.db2.gz MQYXUWHLBZFQQO-QGTGJCAVSA-N 0 0 426.729 8.025 50 30 biogenic,investigational IKEARN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004083606 562941647 /nfs/dbraw/zinc/94/16/47/562941647.db2.gz DOMWKUIIPQCAJU-LJHIYBGHSA-N 0 0 428.613 5.970 50 30 fda IKEARN COc1ccc(CNc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1 ZINC000008654680 562960286 /nfs/dbraw/zinc/96/02/86/562960286.db2.gz MKQGGNRWUFBIIL-UHFFFAOYSA-N 0 0 431.448 5.015 50 30 IKEARN C=CCN1C(=S)N=NC1c1oc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000008685001 562962293 /nfs/dbraw/zinc/96/22/93/562962293.db2.gz AERHSHISZHOWJM-UHFFFAOYSA-N 0 0 425.517 5.477 50 30 IKEARN COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1ccco1 ZINC000009065711 562966868 /nfs/dbraw/zinc/96/68/68/562966868.db2.gz VWINSIBMLLVGIS-CSKARUKUSA-N 0 0 427.250 5.166 50 30 IKEARN N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000072174967 563165281 /nfs/dbraw/zinc/16/52/81/563165281.db2.gz HVPZDXDXIQZKHU-UHFFFAOYSA-N 0 0 431.801 6.667 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1 ZINC000025075837 568634601 /nfs/dbraw/zinc/63/46/01/568634601.db2.gz XHRDLOUUSUROGU-LJQANCHMSA-N 0 0 428.370 6.263 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(N)c(-c2nc3ccccc3[nH]2)c1-c1ccccc1Cl ZINC000000938167 568639151 /nfs/dbraw/zinc/63/91/51/568639151.db2.gz UZABILMYSKUETR-UHFFFAOYSA-N 0 0 434.890 5.805 50 30 IKEARN N#Cc1cccc(C(=O)Nc2cccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)c2)c1 ZINC000025142425 568639865 /nfs/dbraw/zinc/63/98/65/568639865.db2.gz HNUDNGIAPRCLIO-UHFFFAOYSA-N 0 0 433.467 5.311 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C#N)c2)c1-c1ccc(F)cc1 ZINC000025143761 568639914 /nfs/dbraw/zinc/63/99/14/568639914.db2.gz VBBANXYUYTYVDZ-UHFFFAOYSA-N 0 0 441.506 6.208 50 30 IKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2csc(-c3ccccc3)n2)cc1C ZINC000000945293 568643388 /nfs/dbraw/zinc/64/33/88/568643388.db2.gz NFMZZNWEHXESRO-FTJBHMTQSA-N 0 0 441.552 6.329 50 30 IKEARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000000993756 568649312 /nfs/dbraw/zinc/64/93/12/568649312.db2.gz JONSVWVNVJWECN-SANMLTNESA-N 0 0 431.580 5.696 50 30 IKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000001017765 568650969 /nfs/dbraw/zinc/65/09/69/568650969.db2.gz TZTPTHOIVTXCFJ-YWROOUKNSA-N 0 0 432.501 5.218 50 30 IKEARN CC1=NN(c2ccccc2)C(=O)/C1=C1\OC(c2ccccc2)=C(C(=O)c2ccccc2)S1 ZINC000211053497 568651423 /nfs/dbraw/zinc/65/14/23/568651423.db2.gz ZVUDDBULJVDKPH-QLYXXIJNSA-N 0 0 438.508 5.636 50 30 IKEARN COc1ccc(-c2c3c(nc(SCC(=O)Nc4ccc(Cl)cc4)c2C#N)CCC3)cc1 ZINC000001017313 568651952 /nfs/dbraw/zinc/65/19/52/568651952.db2.gz SGZAUVCUYIXWRI-UHFFFAOYSA-N 0 0 449.963 5.502 50 30 IKEARN N#Cc1c(SCC(=O)NCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000001032105 568652743 /nfs/dbraw/zinc/65/27/43/568652743.db2.gz VJOZSIMITSOYMF-UHFFFAOYSA-N 0 0 433.480 5.109 50 30 IKEARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N=C(c2ccccc2)c2ccccc2)cc1 ZINC000025338126 568652913 /nfs/dbraw/zinc/65/29/13/568652913.db2.gz PIBKEOWEXYQDHE-UHFFFAOYSA-N 0 0 448.588 5.175 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN(Cc3ccccc3)Cc3ccccc3)sc2C1 ZINC000001036511 568653622 /nfs/dbraw/zinc/65/36/22/568653622.db2.gz QRNONDXEJHGLFS-IBGZPJMESA-N 0 0 429.589 5.385 50 30 IKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1O ZINC000001062921 568656050 /nfs/dbraw/zinc/65/60/50/568656050.db2.gz IGOWXUOUCGYSAW-JFLMPSFJSA-N 0 0 443.890 6.380 50 30 IKEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c(C)c1 ZINC000001068396 568656510 /nfs/dbraw/zinc/65/65/10/568656510.db2.gz POLQYPVNZHMTEU-SKWYYERQSA-N 0 0 443.572 5.464 50 30 IKEARN COc1cc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000001069568 568656539 /nfs/dbraw/zinc/65/65/39/568656539.db2.gz GQOFYBAAFMYZIF-DEOSSOPVSA-N 0 0 428.488 5.042 50 30 IKEARN N#Cc1cc(Sc2ccc(Br)cc2)c(-n2nnc3ccccc32)cc1C#N ZINC000001099242 568658212 /nfs/dbraw/zinc/65/82/12/568658212.db2.gz USRFMXZBQBEIOJ-UHFFFAOYSA-N 0 0 432.306 5.078 50 30 IKEARN C#CCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000001143360 568662435 /nfs/dbraw/zinc/66/24/35/568662435.db2.gz IEKMDENAYOCECQ-YVLHZVERSA-N 0 0 448.378 5.075 50 30 IKEARN CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000015162650 568731841 /nfs/dbraw/zinc/73/18/41/568731841.db2.gz FBWGKZHVGGZGHK-ZMOGYAJESA-N 0 0 436.855 5.418 50 30 IKEARN Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c(Cl)c1 ZINC000082113527 568736039 /nfs/dbraw/zinc/73/60/39/568736039.db2.gz OHVSVCHFMUXNIA-UHFFFAOYSA-N 0 0 446.938 5.696 50 30 IKEARN N#Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cccc(Cl)c4)C3=O)cc2)c1 ZINC000034733960 568737573 /nfs/dbraw/zinc/73/75/73/568737573.db2.gz OVOGIBOTTXUFSF-UHFFFAOYSA-N 0 0 444.922 5.296 50 30 IKEARN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(Oc3ncccc3C#N)cc21 ZINC000001227219 568741757 /nfs/dbraw/zinc/74/17/57/568741757.db2.gz NOUMSOVEYWUNPF-UHFFFAOYSA-N 0 0 427.460 5.183 50 30 IKEARN Cc1ccc2oc(-c3cccc(/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3C)nc2c1 ZINC000003211217 568743007 /nfs/dbraw/zinc/74/30/07/568743007.db2.gz WCBZWWZEGWRFIG-JFLMPSFJSA-N 0 0 437.455 7.030 50 30 IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 ZINC000003664880 568753619 /nfs/dbraw/zinc/75/36/19/568753619.db2.gz JAHNEERZSBIKFN-GAMAWZARSA-N 0 0 433.382 7.879 50 30 IKEARN N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCC2 ZINC000003664820 568753653 /nfs/dbraw/zinc/75/36/53/568753653.db2.gz IQISPTBTJSQPJU-RPPGKUMJSA-N 0 0 427.356 6.745 50 30 IKEARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC#N ZINC000003768880 568754446 /nfs/dbraw/zinc/75/44/46/568754446.db2.gz LAYDEILTQJNQLO-VCHYOVAHSA-N 0 0 448.928 5.186 50 30 IKEARN Brc1ccc(-c2csc(N=NCc3ccccc3Br)n2)cc1 ZINC000031854461 568758529 /nfs/dbraw/zinc/75/85/29/568758529.db2.gz QIYQLUAMRDBKIT-OCKHKDLRSA-N 0 0 437.160 5.781 50 30 IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000004035912 568759676 /nfs/dbraw/zinc/75/96/76/568759676.db2.gz MIWCWTRTLAOELW-ZBLYBZFDSA-N 0 0 435.527 5.392 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cccnc3)C2)cc1 ZINC000004035918 568759681 /nfs/dbraw/zinc/75/96/81/568759681.db2.gz CQFWKIXFDAHDJB-SKCUWOTOSA-N 0 0 449.554 5.701 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1Cl ZINC000004078578 568760667 /nfs/dbraw/zinc/76/06/67/568760667.db2.gz PQZNRMSRUHBYOC-QHCPKHFHSA-N 0 0 426.919 6.032 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccc(F)cc2)C1=O ZINC000004105615 568775494 /nfs/dbraw/zinc/77/54/94/568775494.db2.gz WBJIULCREAZTCY-JXAXBCJLSA-N 0 0 433.533 6.004 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(O)cc2)N(C2CCCCC2)C1=O ZINC000004108989 568775644 /nfs/dbraw/zinc/77/56/44/568775644.db2.gz XNSRHWITDVOZAE-ZMPCKTLKSA-N 0 0 437.590 5.699 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000263619359 568778047 /nfs/dbraw/zinc/77/80/47/568778047.db2.gz YIZZDNXFJJCYFE-UHFFFAOYSA-N 0 0 441.455 5.013 50 30 IKEARN COc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000263618398 568778224 /nfs/dbraw/zinc/77/82/24/568778224.db2.gz SUEFXHKOTAGOLJ-UHFFFAOYSA-N 0 0 437.492 5.101 50 30 IKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OC(=O)c1ccccc1Cl ZINC000083292620 568778447 /nfs/dbraw/zinc/77/84/47/568778447.db2.gz UZWZLUFZZFXZOG-XMHGGMMESA-N 0 0 447.874 5.302 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 ZINC000001299644 568779018 /nfs/dbraw/zinc/77/90/18/568779018.db2.gz YFKCFDHHFNHUCM-SFHVURJKSA-N 0 0 442.606 5.221 50 30 IKEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1 ZINC000045939509 568783612 /nfs/dbraw/zinc/78/36/12/568783612.db2.gz GECFIPFKHBPJPL-UHFFFAOYSA-N 0 0 430.552 5.094 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1 ZINC000001414683 568790415 /nfs/dbraw/zinc/79/04/15/568790415.db2.gz CNOCCSRKDOGPAD-VWLOTQADSA-N 0 0 436.511 5.297 50 30 IKEARN CN(C)c1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000001421737 568793199 /nfs/dbraw/zinc/79/31/99/568793199.db2.gz CKRGZYBCQPGMIS-DCFHFQCYSA-N 0 0 434.539 6.457 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 ZINC000001423604 568793365 /nfs/dbraw/zinc/79/33/65/568793365.db2.gz HIOLYXVTOUANHY-AWEZNQCLSA-N 0 0 445.585 5.341 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001427288 568793973 /nfs/dbraw/zinc/79/39/73/568793973.db2.gz SQHYDVPMWNWVHI-GKVSMKOHSA-N 0 0 441.556 5.143 50 30 IKEARN CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O ZINC000001430115 568794321 /nfs/dbraw/zinc/79/43/21/568794321.db2.gz PBTQKDHOKIUUQU-WBVHZDCISA-N 0 0 429.347 5.187 50 30 IKEARN C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000001434850 568795853 /nfs/dbraw/zinc/79/58/53/568795853.db2.gz UXYDIFDIQPLHGG-UHFFFAOYSA-N 0 0 431.355 5.039 50 30 IKEARN N#C[C@H](C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1 ZINC000084583264 568799045 /nfs/dbraw/zinc/79/90/45/568799045.db2.gz NYBCDIGZGKTETQ-CQSZACIVSA-N 0 0 433.265 5.003 50 30 IKEARN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 ZINC000084687085 568799975 /nfs/dbraw/zinc/79/99/75/568799975.db2.gz JXLFGOSYBSSLLA-FZKQIMNGSA-N 0 0 435.936 5.787 50 30 IKEARN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 ZINC000084687086 568800023 /nfs/dbraw/zinc/80/00/23/568800023.db2.gz JXLFGOSYBSSLLA-SCLBCKFNSA-N 0 0 435.936 5.787 50 30 IKEARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1 ZINC000084687080 568800079 /nfs/dbraw/zinc/80/00/79/568800079.db2.gz JXLFGOSYBSSLLA-ACJLOTCBSA-N 0 0 435.936 5.787 50 30 IKEARN C=CCn1c(/C=C(/OC(=O)c2ccccc2Cl)c2ccccc2Cl)nc2ccccc21 ZINC000003876746 568803536 /nfs/dbraw/zinc/80/35/36/568803536.db2.gz DMVWZXPNMCKVFE-XQNSMLJCSA-N 0 0 449.337 6.884 50 30 IKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)c1 ZINC000001439854 568804769 /nfs/dbraw/zinc/80/47/69/568804769.db2.gz WZOYIUBDCZQEMK-WXTAPIANSA-N 0 0 430.935 6.328 50 30 IKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000001441113 568807483 /nfs/dbraw/zinc/80/74/83/568807483.db2.gz PEDBJMZWQJGIIB-HHHXNRCGSA-N 0 0 427.500 5.837 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc(Br)c1 ZINC000001441358 568811443 /nfs/dbraw/zinc/81/14/43/568811443.db2.gz SNPWNIQIXNDINI-NRFANRHFSA-N 0 0 433.349 6.198 50 30 IKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 ZINC000008453414 568812918 /nfs/dbraw/zinc/81/29/18/568812918.db2.gz FQYJGRNSYZPIPH-UHFFFAOYSA-N 0 0 432.570 5.500 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000009232348 568818404 /nfs/dbraw/zinc/81/84/04/568818404.db2.gz XESBNQKJKJQELW-RCCKNPSSSA-N 0 0 441.574 5.455 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)SC1=S ZINC000009259494 568818427 /nfs/dbraw/zinc/81/84/27/568818427.db2.gz JPSNDBIGCHQUHO-KQWNVCNZSA-N 0 0 430.598 6.148 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000009308122 568818459 /nfs/dbraw/zinc/81/84/59/568818459.db2.gz RUPLJOWDPHVEDE-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(OC)cc1 ZINC000009308172 568818464 /nfs/dbraw/zinc/81/84/64/568818464.db2.gz CYQBTIOVVIGZQO-UHFFFAOYSA-N 0 0 436.581 5.213 50 30 IKEARN C=CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccccc1C ZINC000009427258 568818891 /nfs/dbraw/zinc/81/88/91/568818891.db2.gz GATRLGOAOSOWQI-QFIPXVFZSA-N 0 0 446.576 5.205 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(Cl)c1 ZINC000009496694 568818960 /nfs/dbraw/zinc/81/89/60/568818960.db2.gz XJRYPIRZSRCIFO-UHFFFAOYSA-N 0 0 426.973 5.441 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCC(C)C)c1 ZINC000001457578 568819177 /nfs/dbraw/zinc/81/91/77/568819177.db2.gz UJWDWCLPKQFNQL-MHZLTWQESA-N 0 0 446.591 6.274 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(CCCC)cc1 ZINC000013805026 568824095 /nfs/dbraw/zinc/82/40/95/568824095.db2.gz LQHNEEMCKVRJFD-UHFFFAOYSA-N 0 0 436.581 5.117 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S ZINC000013940644 568824528 /nfs/dbraw/zinc/82/45/28/568824528.db2.gz AVGUGIDJMORGQR-XDHOZWIPSA-N 0 0 445.993 5.623 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C(C(=O)OC)=C1C ZINC000014010529 568824604 /nfs/dbraw/zinc/82/46/04/568824604.db2.gz DKPJMJARSVAHDB-UKWGHVSLSA-N 0 0 445.346 5.260 50 30 IKEARN C=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 ZINC000014093187 568824653 /nfs/dbraw/zinc/82/46/53/568824653.db2.gz TWJFKMXPIDEABY-AREMUKBSSA-N 0 0 428.532 5.266 50 30 IKEARN C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccncc1 ZINC000014069306 568824688 /nfs/dbraw/zinc/82/46/88/568824688.db2.gz PQCFORSISUTZBS-OAQYLSRUSA-N 0 0 445.523 5.137 50 30 IKEARN C=CCn1c(COc2ccc(F)cc2)nnc1SCc1cc(-c2cccs2)on1 ZINC000014069734 568824840 /nfs/dbraw/zinc/82/48/40/568824840.db2.gz LWXQIFXASVFJQZ-UHFFFAOYSA-N 0 0 428.514 5.191 50 30 IKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cccc(N(C)C)c1 ZINC000014115893 568824917 /nfs/dbraw/zinc/82/49/17/568824917.db2.gz UCTDHQAJUOCCQA-UHFFFAOYSA-N 0 0 429.387 5.252 50 30 IKEARN COc1cccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000085581321 568825382 /nfs/dbraw/zinc/82/53/82/568825382.db2.gz QDUTXYJGAAJQET-UHFFFAOYSA-N 0 0 444.510 5.065 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC ZINC000015010570 568827634 /nfs/dbraw/zinc/82/76/34/568827634.db2.gz PDBQGNNADIOVED-WQRHYEAKSA-N 0 0 448.327 5.251 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCC ZINC000015010561 568827642 /nfs/dbraw/zinc/82/76/42/568827642.db2.gz HNYRWWBMOFRGPB-UYRXBGFRSA-N 0 0 429.925 5.540 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000015018922 568828031 /nfs/dbraw/zinc/82/80/31/568828031.db2.gz FJCJPSPBKVCKLL-UHFFFAOYSA-N 0 0 438.940 5.570 50 30 IKEARN C=CCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccccc2)cs1 ZINC000015608255 568828499 /nfs/dbraw/zinc/82/84/99/568828499.db2.gz SCIBXCQJYQFECW-QHCPKHFHSA-N 0 0 429.545 5.293 50 30 IKEARN C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OCC ZINC000016183999 568829352 /nfs/dbraw/zinc/82/93/52/568829352.db2.gz HJULPJCFRCYCER-ATVHPVEESA-N 0 0 448.828 5.099 50 30 IKEARN C=CCn1c(CSCc2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000016447699 568829732 /nfs/dbraw/zinc/82/97/32/568829732.db2.gz UBIDCJVDCKYJBM-UHFFFAOYSA-N 0 0 443.569 5.020 50 30 IKEARN C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016736347 568830269 /nfs/dbraw/zinc/83/02/69/568830269.db2.gz KXLSWFREAWKRQB-XMMPIXPASA-N 0 0 438.483 5.119 50 30 IKEARN C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)c2ccc(Cl)cc2)c1=S ZINC000016769581 568830369 /nfs/dbraw/zinc/83/03/69/568830369.db2.gz PRJWFLROMIOPNF-UHFFFAOYSA-N 0 0 429.998 5.737 50 30 IKEARN C=C(C)COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OCC ZINC000000668379 568831987 /nfs/dbraw/zinc/83/19/87/568831987.db2.gz HLSWMJHZZOXFEW-ZDLGFXPLSA-N 0 0 442.309 5.147 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000671220 568832056 /nfs/dbraw/zinc/83/20/56/568832056.db2.gz PDTKTDYWDNIFTD-UHFFFAOYSA-N 0 0 449.363 5.081 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc(-c3ccccc3)cc2c1=O ZINC000000710366 568832253 /nfs/dbraw/zinc/83/22/53/568832253.db2.gz DBWIIJGALRPJTK-UHFFFAOYSA-N 0 0 447.585 5.350 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccs1 ZINC000001058024 568832774 /nfs/dbraw/zinc/83/27/74/568832774.db2.gz CCEBLVMKIXXUHC-UHFFFAOYSA-N 0 0 425.366 5.230 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000001074701 568832955 /nfs/dbraw/zinc/83/29/55/568832955.db2.gz QWYBYOCISUGELT-UHFFFAOYSA-N 0 0 442.903 5.401 50 30 IKEARN C=CCn1c(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C(=O)OCC)sc1=S ZINC000001184792 568833110 /nfs/dbraw/zinc/83/31/10/568833110.db2.gz ZHMWLCBDWVWPLL-UHFFFAOYSA-N 0 0 434.558 5.231 50 30 IKEARN C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000001159435 568833153 /nfs/dbraw/zinc/83/31/53/568833153.db2.gz ACSFGOMFBBTNEE-UHFFFAOYSA-N 0 0 436.415 5.218 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S ZINC000001186671 568833164 /nfs/dbraw/zinc/83/31/64/568833164.db2.gz SPXVCTXEEQGIGY-YBFXNURJSA-N 0 0 439.631 5.293 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 ZINC000001114167 568833487 /nfs/dbraw/zinc/83/34/87/568833487.db2.gz OLKQAKVVJNMMIH-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)n1 ZINC000018127433 568833764 /nfs/dbraw/zinc/83/37/64/568833764.db2.gz YAMQNFIPIVPJBW-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN C#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001770607 568834180 /nfs/dbraw/zinc/83/41/80/568834180.db2.gz OKHRFNBPRHXZNL-UHFFFAOYSA-N 0 0 426.585 5.442 50 30 IKEARN C=CCOc1c(Br)cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCC ZINC000002059347 568834440 /nfs/dbraw/zinc/83/44/40/568834440.db2.gz MRUDZENISIYLSZ-PDGQHHTCSA-N 0 0 442.309 5.066 50 30 IKEARN C=CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c(OCC=C)c1 ZINC000002092318 568834521 /nfs/dbraw/zinc/83/45/21/568834521.db2.gz WRKZOZGRMJORQL-ODLFYWEKSA-N 0 0 430.287 5.468 50 30 IKEARN C=CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060627 568834527 /nfs/dbraw/zinc/83/45/27/568834527.db2.gz XBFDZKBQUQMFFI-LJQANCHMSA-N 0 0 436.621 5.686 50 30 biogenic IKEARN C=CCSc1nc2nc(-c3ccccc3)cc(-c3ccccc3)c2c(SCC=C)n1 ZINC000002181184 568834637 /nfs/dbraw/zinc/83/46/37/568834637.db2.gz IDBBMPICMNSLAM-UHFFFAOYSA-N 0 0 427.598 6.915 50 30 IKEARN C=CCn1c(SCc2cccc3ccccc32)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002299283 568834855 /nfs/dbraw/zinc/83/48/55/568834855.db2.gz SKILGLBIYWXKCH-UHFFFAOYSA-N 0 0 448.613 5.941 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 ZINC000002270796 568834868 /nfs/dbraw/zinc/83/48/68/568834868.db2.gz PCLCVDPQLMETQG-KRWDZBQOSA-N 0 0 438.662 6.575 50 30 IKEARN C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002271075 568834891 /nfs/dbraw/zinc/83/48/91/568834891.db2.gz ZYJRLIUIYRRYRO-GOSISDBHSA-N 0 0 438.662 6.477 50 30 IKEARN C#CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002346523 568835021 /nfs/dbraw/zinc/83/50/21/568835021.db2.gz DGHWQVMVQRZCGN-UHFFFAOYSA-N 0 0 432.633 5.974 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(C)c1 ZINC000002342206 568835183 /nfs/dbraw/zinc/83/51/83/568835183.db2.gz KEUIDLKUQUNQKK-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(Cl)c1 ZINC000002449284 568835717 /nfs/dbraw/zinc/83/57/17/568835717.db2.gz MXGORDIFCTUSAK-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nc2sc(C)c(C)c2c1=O ZINC000002403632 568835743 /nfs/dbraw/zinc/83/57/43/568835743.db2.gz WSARWOUWKLOICM-UHFFFAOYSA-N 0 0 441.622 5.334 50 30 IKEARN C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002409909 568835747 /nfs/dbraw/zinc/83/57/47/568835747.db2.gz DRGDHCDGFVDNHZ-NRFANRHFSA-N 0 0 444.512 5.181 50 30 IKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002409910 568835763 /nfs/dbraw/zinc/83/57/63/568835763.db2.gz DRGDHCDGFVDNHZ-OAQYLSRUSA-N 0 0 444.512 5.181 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000002450634 568835873 /nfs/dbraw/zinc/83/58/73/568835873.db2.gz YOIWBQZPMPCDHC-UHFFFAOYSA-N 0 0 426.973 5.639 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000002452954 568835917 /nfs/dbraw/zinc/83/59/17/568835917.db2.gz NRWGAGZCBXLWJK-UHFFFAOYSA-N 0 0 449.363 5.081 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1cccc(OC)c1 ZINC000002452435 568835998 /nfs/dbraw/zinc/83/59/98/568835998.db2.gz VNJFRBRIGISRRW-KRWDZBQOSA-N 0 0 436.581 5.384 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cccs2)n1 ZINC000018212148 568836914 /nfs/dbraw/zinc/83/69/14/568836914.db2.gz IYRMYBMNAPPNAO-VOIUYBSRSA-N 0 0 445.544 5.045 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000027532842 568838461 /nfs/dbraw/zinc/83/84/61/568838461.db2.gz MRRRBEAXPHDOCP-OAQYLSRUSA-N 0 0 442.346 5.303 50 30 IKEARN COc1ccc(OC)c([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000015830284 568841523 /nfs/dbraw/zinc/84/15/23/568841523.db2.gz JBVMGXHEZSZBEG-DEOSSOPVSA-N 0 0 443.547 5.399 50 30 IKEARN O=C(Cc1ccccc1)ON[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003137403 568841846 /nfs/dbraw/zinc/84/18/46/568841846.db2.gz NGEHLXNHZGFHNT-OAHLLOKOSA-N 0 0 443.541 5.359 50 30 IKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000025693353 568842732 /nfs/dbraw/zinc/84/27/32/568842732.db2.gz GHIVCZQXLBRHNM-IAGONARPSA-N 0 0 428.400 5.295 50 30 IKEARN CCCCCCCCCCCCC/C(=N\O)c1ccc(OCc2ccccc2)cc1O ZINC000100166799 568842957 /nfs/dbraw/zinc/84/29/57/568842957.db2.gz SIUUUJMMOFDKFF-BYCLXTJYSA-N 0 0 425.613 7.851 50 30 IKEARN CCCCCCCCCCCCCCOc1ccccc1NC(=O)CSc1nc[nH]n1 ZINC000100813220 568843377 /nfs/dbraw/zinc/84/33/77/568843377.db2.gz BTUQUOWASKAVIJ-UHFFFAOYSA-N 0 0 446.661 6.615 50 30 IKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(NN)nc1 ZINC000100813310 568843403 /nfs/dbraw/zinc/84/34/03/568843403.db2.gz ZJTCTMIGNODAEI-UHFFFAOYSA-N 0 0 426.671 5.469 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000101016202 568843519 /nfs/dbraw/zinc/84/35/19/568843519.db2.gz YEZKHPCJUHWFEA-UHFFFAOYSA-N 0 0 439.640 9.122 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(CC)cccc1CC ZINC000100856257 568843533 /nfs/dbraw/zinc/84/35/33/568843533.db2.gz RDBFAZBKSRURAG-UHFFFAOYSA-N 0 0 444.748 9.194 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)NCCN(C)c1ccccc1 ZINC000100970910 568843555 /nfs/dbraw/zinc/84/35/55/568843555.db2.gz IEJSHGHNPDBCGX-UHFFFAOYSA-N 0 0 445.736 7.684 50 30 IKEARN CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(N)cc2)n1C ZINC000100854442 568843559 /nfs/dbraw/zinc/84/35/59/568843559.db2.gz JQINDLBTPFVKGD-UHFFFAOYSA-N 0 0 427.677 7.172 50 30 IKEARN CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC ZINC000100989499 568843562 /nfs/dbraw/zinc/84/35/62/568843562.db2.gz DSAJRCNSPOSHPL-UHFFFAOYSA-N 0 0 434.727 8.106 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101022724 568843643 /nfs/dbraw/zinc/84/36/43/568843643.db2.gz IQXXHRLYVWKNRM-UHFFFAOYSA-N 0 0 439.040 8.448 50 30 IKEARN Cc1ccc(S(=O)(=O)NN=C2C[C@@]34CC(=O)C[C@@]3(C2)CCCCCCCCCC4)cc1 ZINC000101053914 568843710 /nfs/dbraw/zinc/84/37/10/568843710.db2.gz HEXSWHUJJPULAI-DQEYMECFSA-N 0 0 444.641 5.673 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21 ZINC000230120784 568843849 /nfs/dbraw/zinc/84/38/49/568843849.db2.gz ZJUABQDERHSYQM-SDVOOXDOSA-N 0 0 440.605 5.634 50 30 IKEARN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1[NH+]1CCCC1 ZINC000015861659 568848393 /nfs/dbraw/zinc/84/83/93/568848393.db2.gz DATKXTKVNMQNCR-DZQIITJFSA-N 0 0 446.664 5.564 50 30 IKEARN CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1[NH+]1CCCCC1 ZINC000015861668 568848463 /nfs/dbraw/zinc/84/84/63/568848463.db2.gz BFXNDGFLRBLEOC-CMVRYFIUSA-N 0 0 435.681 6.082 50 30 IKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3Cl)n2)cc1OC ZINC000006162827 568848695 /nfs/dbraw/zinc/84/86/95/568848695.db2.gz FTLCILXEGGOYDI-UHFFFAOYSA-N 0 0 439.924 5.022 50 30 IKEARN C#CCOc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1OC ZINC000019324105 568854028 /nfs/dbraw/zinc/85/40/28/568854028.db2.gz KUMXBCLWYXDQDC-UHFFFAOYSA-N 0 0 426.560 5.114 50 30 IKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(Cl)ccc1OC ZINC000019630704 568854942 /nfs/dbraw/zinc/85/49/42/568854942.db2.gz XHCZBIHZEYPDEU-UHFFFAOYSA-N 0 0 439.890 6.104 50 30 IKEARN C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000020169473 568855783 /nfs/dbraw/zinc/85/57/83/568855783.db2.gz KYKPINDIWLUWJZ-UHFFFAOYSA-N 0 0 425.623 5.095 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000020249328 568856011 /nfs/dbraw/zinc/85/60/11/568856011.db2.gz LSLVFBNUHJWXAG-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN CC[C@@H](C)n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(Br)o1 ZINC000015906031 568858305 /nfs/dbraw/zinc/85/83/05/568858305.db2.gz HOIJNJMZFIVZDO-LLVKDONJSA-N 0 0 438.285 5.035 50 30 IKEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000015913403 568858494 /nfs/dbraw/zinc/85/84/94/568858494.db2.gz SVZKTCCJKZTOHB-UHFFFAOYSA-N 0 0 447.520 5.223 50 30 IKEARN N#Cc1c(SCc2c(F)cccc2Cl)nc(-c2cccc(Cl)c2)c2c1CCCC2 ZINC000015981488 568861696 /nfs/dbraw/zinc/86/16/96/568861696.db2.gz FDRHUYQCBTVIMG-UHFFFAOYSA-N 0 0 443.374 7.237 50 30 IKEARN N#CC1(c2ccccc2)C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000015978646 568861728 /nfs/dbraw/zinc/86/17/28/568861728.db2.gz YSGMUAQEMWZWRI-NNFYUIBOSA-N 0 0 444.361 7.285 50 30 IKEARN C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000029551438 568865399 /nfs/dbraw/zinc/86/53/99/568865399.db2.gz ZGLHBRQAEXKACO-QEGQQYMASA-N 0 0 428.657 5.727 50 30 IKEARN C=CCn1c(SCc2cn3cc(C)ccc3n2)nnc1-c1ccc(Br)cc1 ZINC000030635961 568865786 /nfs/dbraw/zinc/86/57/86/568865786.db2.gz BPPSAVDYVLKQNX-UHFFFAOYSA-N 0 0 440.370 5.142 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000016037462 568867783 /nfs/dbraw/zinc/86/77/83/568867783.db2.gz YBPJLLRZEYXKSF-ISJGIBHGSA-N 0 0 437.449 5.249 50 30 IKEARN COc1ccc(C(=O)CSc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000006181823 568869535 /nfs/dbraw/zinc/86/95/35/568869535.db2.gz XWAUZCYCVCOOSJ-UHFFFAOYSA-N 0 0 430.529 5.490 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000016249469 568874924 /nfs/dbraw/zinc/87/49/24/568874924.db2.gz WEPWUHCHSCUQMQ-RWPZCVJISA-N 0 0 443.938 5.768 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006196391 568877125 /nfs/dbraw/zinc/87/71/25/568877125.db2.gz SXGKIBBXSOFHPJ-VWLOTQADSA-N 0 0 444.575 5.636 50 30 IKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)OC(C)C)n2)cc1 ZINC000006246022 568880701 /nfs/dbraw/zinc/88/07/01/568880701.db2.gz YETZAFZJEYEBLF-UHFFFAOYSA-N 0 0 436.964 6.293 50 30 IKEARN Cc1ccc(S(=O)(=O)N=C(Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1 ZINC000006235128 568880782 /nfs/dbraw/zinc/88/07/82/568880782.db2.gz IBYCJSJPFRQFIP-UHFFFAOYSA-N 0 0 436.430 5.401 50 30 IKEARN CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1 ZINC000100311451 568884391 /nfs/dbraw/zinc/88/43/91/568884391.db2.gz JYTIZSQDKOCWQI-UHFFFAOYSA-N 0 0 446.760 10.286 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccn1 ZINC000016400156 568887508 /nfs/dbraw/zinc/88/75/08/568887508.db2.gz WGBPAZJWJQUBBF-UHFFFAOYSA-N 0 0 448.857 5.418 50 30 IKEARN CCCCCCCCOc1ccc(/C=C(\C(C)=O)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000102965346 568891043 /nfs/dbraw/zinc/89/10/43/568891043.db2.gz DLMGCQGOUGKKMW-JJIBRWJFSA-N 0 0 441.999 6.999 50 30 IKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000014361398 568893193 /nfs/dbraw/zinc/89/31/93/568893193.db2.gz XYCQLOHKGJQYFM-CXUHLZMHSA-N 0 0 445.584 5.670 50 30 IKEARN O=C(/C=C/c1ccccc1OC(=O)c1ccc(OC(F)F)cc1)c1cc2ccccc2o1 ZINC000014359758 568893242 /nfs/dbraw/zinc/89/32/42/568893242.db2.gz ZNRKPXHGFKQTEU-SDNWHVSQSA-N 0 0 434.394 6.150 50 30 IKEARN CCN1C/C(=C\c2cccc(Cl)c2Cl)C(=O)/C(=C\c2cccc(Cl)c2Cl)C1 ZINC000025157596 568895505 /nfs/dbraw/zinc/89/55/05/568895505.db2.gz WCOCFSZLWNCZDP-CKOAPEAFSA-N 0 0 441.185 6.672 50 30 IKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000033703578 568896116 /nfs/dbraw/zinc/89/61/16/568896116.db2.gz LGCPWEPBLZUWIX-AQTBWJFISA-N 0 0 432.376 5.875 50 30 IKEARN Cc1ccc(Sc2ccc(/C=C3/CCc4c(C)cc(C)cc4C3=O)cc2[N+](=O)[O-])cc1 ZINC000033614801 568896185 /nfs/dbraw/zinc/89/61/85/568896185.db2.gz YTNJANKVPNWBIP-ZHZULCJRSA-N 0 0 429.541 6.884 50 30 IKEARN Cc1sc(NC(=O)c2cc(-c3ccccn3)nc3c(C)c(Cl)ccc23)c(C#N)c1C ZINC000006428708 568897482 /nfs/dbraw/zinc/89/74/82/568897482.db2.gz JXJTVKIJMDHEPL-UHFFFAOYSA-N 0 0 432.936 6.061 50 30 IKEARN N#CC1(c2ccccc2)C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000096400369 568899188 /nfs/dbraw/zinc/89/91/88/568899188.db2.gz YSGMUAQEMWZWRI-HHQODBOJSA-N 0 0 444.361 7.285 50 30 IKEARN O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3c4c(cccc42)CC3)c1[O-] ZINC000016450167 568903572 /nfs/dbraw/zinc/90/35/72/568903572.db2.gz QGFPTXKQJJTOIN-RWPZCVJISA-N 0 0 442.902 6.547 50 30 IKEARN C=CCN1C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N\N=C\c1ccc(OC)cc1 ZINC000001776048 568906530 /nfs/dbraw/zinc/90/65/30/568906530.db2.gz PZZFPISBOBBHCJ-MUESUYGVSA-N 0 0 448.375 5.065 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCCc1ccccc1 ZINC000006446134 568907515 /nfs/dbraw/zinc/90/75/15/568907515.db2.gz PHJNNKLPRMLXJA-UHFFFAOYSA-N 0 0 449.579 5.738 50 30 IKEARN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000001793194 568908097 /nfs/dbraw/zinc/90/80/97/568908097.db2.gz IGBNYMXRBBOXEL-ZPKJPUMHSA-N 0 0 435.936 5.505 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1S[C@H](CCC1CC1)c1ccccc1 ZINC000006457440 568908196 /nfs/dbraw/zinc/90/81/96/568908196.db2.gz CVDRPHRLIKSYGK-HSZRJFAPSA-N 0 0 438.518 7.663 50 30 IKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000001816343 568915246 /nfs/dbraw/zinc/91/52/46/568915246.db2.gz ACOVZVSVXFHXOI-UHFFFAOYSA-N 0 0 427.351 5.949 50 30 IKEARN O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000001817168 568915259 /nfs/dbraw/zinc/91/52/59/568915259.db2.gz VESMOZAZGAECCZ-UHFFFAOYSA-N 0 0 443.309 5.684 50 30 IKEARN Cc1ccc(OC2=CC(=O)c3c4c2noc4c2ccccc2c3OC(=O)c2ccccc2)cc1 ZINC000001833043 568915936 /nfs/dbraw/zinc/91/59/36/568915936.db2.gz AKRRLNBWYNAKOB-UHFFFAOYSA-N 0 0 447.446 6.125 50 30 IKEARN CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000001834944 568916140 /nfs/dbraw/zinc/91/61/40/568916140.db2.gz WCYAVJNHHMCZKO-MZJWZYIUSA-N 0 0 445.540 6.673 50 30 IKEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000001840596 568916401 /nfs/dbraw/zinc/91/64/01/568916401.db2.gz UCTZFVOFMWJZOB-AWEZNQCLSA-N 0 0 427.526 5.330 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000026796267 568916939 /nfs/dbraw/zinc/91/69/39/568916939.db2.gz VWXTVVQQICHXTF-UHFFFAOYSA-N 0 0 427.554 5.763 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)ccc1Cl ZINC000001881414 568917360 /nfs/dbraw/zinc/91/73/60/568917360.db2.gz RRYSWENITSUWEL-YSURURNPSA-N 0 0 446.677 7.114 50 30 IKEARN Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2/C=C/C(=O)c2ccccc2)cc1 ZINC000001902895 568918579 /nfs/dbraw/zinc/91/85/79/568918579.db2.gz SWUMXSRWWQVLQO-BUCZBDGVSA-N 0 0 434.560 7.431 50 30 IKEARN O=C(Oc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1)c1ccccc1Cl ZINC000006473686 568920055 /nfs/dbraw/zinc/92/00/55/568920055.db2.gz JHESMKBRSVCFND-ZHZULCJRSA-N 0 0 434.904 5.451 50 30 IKEARN CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1[N+](=O)[O-] ZINC000016511611 568920405 /nfs/dbraw/zinc/92/04/05/568920405.db2.gz PFOUTHINLBXPLA-OGLMXYFKSA-N 0 0 436.471 6.210 50 30 IKEARN N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Cl)cc1Cl ZINC000016524895 568921057 /nfs/dbraw/zinc/92/10/57/568921057.db2.gz OQJZSEOBQYODCN-UHFFFAOYSA-N 0 0 430.316 6.053 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@@H]2c1ccc(F)cc1 ZINC000016578006 568922896 /nfs/dbraw/zinc/92/28/96/568922896.db2.gz KVMFIBFCXDEJNW-LJQANCHMSA-N 0 0 446.547 5.901 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000016577983 568922900 /nfs/dbraw/zinc/92/29/00/568922900.db2.gz CBNPQCAWVGCRDG-HXUWFJFHSA-N 0 0 443.341 5.385 50 30 IKEARN CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 ZINC000001921036 568923318 /nfs/dbraw/zinc/92/33/18/568923318.db2.gz LZMWNURKEQTKJC-VULFUBBASA-N 0 0 449.348 7.011 50 30 IKEARN CCCCOc1ccc(/N=C2/c3ccccc3N(CN3CCc4ccccc4C3)C2=O)cc1 ZINC000016639169 568927531 /nfs/dbraw/zinc/92/75/31/568927531.db2.gz PZHSHECGOCXJSU-OHYPFYFLSA-N 0 0 439.559 5.349 50 30 IKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)cc1 ZINC000006500780 568927854 /nfs/dbraw/zinc/92/78/54/568927854.db2.gz OUUOMCCLLYKORX-TYGLDRHGSA-N 0 0 439.581 5.072 50 30 IKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(O)cc1)CCCC2 ZINC000002027081 568931859 /nfs/dbraw/zinc/93/18/59/568931859.db2.gz HYJXHVWPNGIWMA-UHFFFAOYSA-N 0 0 430.529 5.040 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1 ZINC000002028176 568934713 /nfs/dbraw/zinc/93/47/13/568934713.db2.gz IDQORKWCGQHRQS-UHFFFAOYSA-N 0 0 436.536 6.123 50 30 IKEARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000089573830 568937941 /nfs/dbraw/zinc/93/79/41/568937941.db2.gz ARHNADHKODIXKB-QGZVFWFLSA-N 0 0 444.512 5.096 50 30 IKEARN CCOc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1 ZINC000027017860 568937999 /nfs/dbraw/zinc/93/79/99/568937999.db2.gz GCEVMCSEUDKBBE-HMMYKYKNSA-N 0 0 445.540 6.136 50 30 IKEARN C=CCOc1c(Br)cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCC ZINC000002059346 568940959 /nfs/dbraw/zinc/94/09/59/568940959.db2.gz MRUDZENISIYLSZ-LDADJPATSA-N 0 0 442.309 5.066 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000169618329 568969402 /nfs/dbraw/zinc/96/94/02/568969402.db2.gz YBPJLLRZEYXKSF-UBFVSLLYSA-N 0 0 437.449 5.249 50 30 IKEARN N#Cc1cccc(CSc2nc(Oc3ccc4c(c3)OCO4)cc(-c3ccccc3)n2)c1 ZINC000036349471 569081726 /nfs/dbraw/zinc/08/17/26/569081726.db2.gz MVKLEDWYCAQLBQ-UHFFFAOYSA-N 0 0 439.496 5.829 50 30 IKEARN Cc1c(=O)c2cccc(-c3nc(C#N)c(NCc4cccnc4)o3)c2oc1-c1ccccc1 ZINC000036359877 569086505 /nfs/dbraw/zinc/08/65/05/569086505.db2.gz YUHSYLPRQXPYTE-UHFFFAOYSA-N 0 0 434.455 5.302 50 30 IKEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000065034384 569092009 /nfs/dbraw/zinc/09/20/09/569092009.db2.gz WCACJYIRFNTWQI-UHFFFAOYSA-N 0 0 438.453 5.289 50 30 IKEARN COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4sc(C)c(C)c4C#N)c32)cc1 ZINC000036619151 569124701 /nfs/dbraw/zinc/12/47/01/569124701.db2.gz BUXPMBOJDBDKLA-UHFFFAOYSA-N 0 0 444.516 5.578 50 30 IKEARN N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1 ZINC000238950316 569137994 /nfs/dbraw/zinc/13/79/94/569137994.db2.gz XRSQTRYZKZINBP-DEOSSOPVSA-N 0 0 444.485 5.894 50 30 IKEARN N#Cc1nc(-c2cccc3ccccc32)oc1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000170623865 569148383 /nfs/dbraw/zinc/14/83/83/569148383.db2.gz YAFNJFIUBLLUEG-UHFFFAOYSA-N 0 0 443.311 5.647 50 30 IKEARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSCc2cccc(C#N)c2)cc1 ZINC000009882247 569149504 /nfs/dbraw/zinc/14/95/04/569149504.db2.gz WCLXRLMXNYGZMR-RUZDIDTESA-N 0 0 441.556 5.178 50 30 IKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 ZINC000016728812 569160534 /nfs/dbraw/zinc/16/05/34/569160534.db2.gz GDKGJDBCJYJCEA-UHFFFAOYSA-N 0 0 442.506 7.029 50 30 IKEARN Cc1ccccc1C(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl ZINC000002071612 569162192 /nfs/dbraw/zinc/16/21/92/569162192.db2.gz MJLKQVLUJLZLEN-SFHVURJKSA-N 0 0 442.799 5.345 50 30 IKEARN CN1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837181 569162490 /nfs/dbraw/zinc/16/24/90/569162490.db2.gz LZBVPIXGKVMDTF-UHFFFAOYSA-N 0 0 430.558 5.137 50 30 IKEARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000017097324 569172702 /nfs/dbraw/zinc/17/27/02/569172702.db2.gz MCSNZOBIVIMKIB-GJZGRUSLSA-N 0 0 431.001 6.139 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000017097180 569173143 /nfs/dbraw/zinc/17/31/43/569173143.db2.gz INKNDIJRHADGJW-QFIPXVFZSA-N 0 0 430.577 5.537 50 30 IKEARN COc1cccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1O ZINC000008916802 569174628 /nfs/dbraw/zinc/17/46/28/569174628.db2.gz HEBKHGUEIXZJEZ-VWLOTQADSA-N 0 0 440.499 5.218 50 30 IKEARN C=CCc1ccccc1OCCn1cccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O ZINC000001120899 569176852 /nfs/dbraw/zinc/17/68/52/569176852.db2.gz QAAFDBZEQKJOJV-OQKWZONESA-N 0 0 432.907 5.294 50 30 IKEARN CCOc1ccc(-c2cc(C(=O)Nc3sc(C)c(CC)c3C#N)c3ccccc3n2)cc1 ZINC000002084399 569177286 /nfs/dbraw/zinc/17/72/86/569177286.db2.gz JXMDZSSHAKRNCM-UHFFFAOYSA-N 0 0 441.556 6.357 50 30 IKEARN CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000002771724 569177357 /nfs/dbraw/zinc/17/73/57/569177357.db2.gz INMBJBTYRUWKEK-VJGNERBWSA-N 0 0 445.522 5.370 50 30 IKEARN N#Cc1c2c(sc1/N=c1\oc3ccccc3cc1C(=O)Nc1ccccc1F)CCCC2 ZINC000002088938 569177384 /nfs/dbraw/zinc/17/73/84/569177384.db2.gz BRAMISPCCLCSJD-OLFWJLLRSA-N 0 0 443.503 5.869 50 30 IKEARN C=CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC=C ZINC000002080971 569177665 /nfs/dbraw/zinc/17/76/65/569177665.db2.gz XJNSOQAZJDGWSF-GIJQJNRQSA-N 0 0 431.822 5.092 50 30 IKEARN N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccc(Br)c2)n1 ZINC000003372190 569177802 /nfs/dbraw/zinc/17/78/02/569177802.db2.gz MMPWRTTZBDZGPZ-UHFFFAOYSA-N 0 0 429.705 5.132 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002446836 569180870 /nfs/dbraw/zinc/18/08/70/569180870.db2.gz RJGPKGONOZJSLG-UHFFFAOYSA-N 0 0 434.609 5.776 50 30 IKEARN CCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCC)cc3)cc2)cc1 ZINC000017886109 569181042 /nfs/dbraw/zinc/18/10/42/569181042.db2.gz JGPJVRJLTHAEQE-VFIVCBTMSA-N 0 0 428.576 7.546 50 30 IKEARN CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC ZINC000002111131 569181964 /nfs/dbraw/zinc/18/19/64/569181964.db2.gz GMLLHNJKYTUSNS-XEKAQFCISA-N 0 0 448.607 5.682 50 30 biogenic IKEARN COC(=O)c1ccc(/C=C2\C[C@@H](C(C)(C)C)C/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000252346960 569183038 /nfs/dbraw/zinc/18/30/38/569183038.db2.gz NADWIFYTOHURMR-BUBJVVLKSA-N 0 0 446.543 5.752 50 30 IKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000252429407 569183364 /nfs/dbraw/zinc/18/33/64/569183364.db2.gz LGYHSGZFCNGXQQ-UHFFFAOYSA-N 0 0 442.588 5.993 50 30 IKEARN COc1cccc(C=Nc2ccc(Oc3ccc(N=Cc4cccc(OC)c4)cc3)cc2)c1 ZINC000252462270 569184601 /nfs/dbraw/zinc/18/46/01/569184601.db2.gz REABBRDBSQZLRC-UHFFFAOYSA-N 0 0 436.511 6.997 50 30 IKEARN C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000002544623 569185890 /nfs/dbraw/zinc/18/58/90/569185890.db2.gz KMERTBHANXBNDF-UHFFFAOYSA-N 0 0 441.988 5.077 50 30 IKEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1cccc2ccccc21 ZINC000002553330 569185929 /nfs/dbraw/zinc/18/59/29/569185929.db2.gz KTXMQIHTBDFOMA-YZSQISJMSA-N 0 0 425.513 5.380 50 30 IKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccccc3)C3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 ZINC000002151252 569187292 /nfs/dbraw/zinc/18/72/92/569187292.db2.gz OOGDDBUSRLZRGE-VWLOTQADSA-N 0 0 434.539 5.659 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c(OC)c1 ZINC000002157999 569187742 /nfs/dbraw/zinc/18/77/42/569187742.db2.gz ZVQLILDKBSPAFO-JJFYIABZSA-N 0 0 436.847 5.193 50 30 biogenic IKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000252590122 569191730 /nfs/dbraw/zinc/19/17/30/569191730.db2.gz APCLDDMGYLAZJK-LSQMVHIFSA-N 0 0 437.524 5.167 50 30 IKEARN Nc1ccccc1N=C1c2ccccc2C(=O)C(Cc2ccccc2)=C1C(=O)c1ccccc1 ZINC000252591339 569192666 /nfs/dbraw/zinc/19/26/66/569192666.db2.gz AZWFQHSZUVISBN-UHFFFAOYSA-N 0 0 442.518 6.008 50 30 IKEARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000252593815 569192820 /nfs/dbraw/zinc/19/28/20/569192820.db2.gz BMJXXZBZQDANFB-DNKROPNVSA-N 0 0 444.556 5.551 50 30 IKEARN Cc1ccc(-c2csc3ncnc(N=NCc4cc(Br)ccc4O)c23)cc1 ZINC000252593024 569192828 /nfs/dbraw/zinc/19/28/28/569192828.db2.gz BIADEPGWLZNDBS-UHFFFAOYSA-N 0 0 439.338 5.581 50 30 IKEARN N#Cc1c2c(sc1N=Cc1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCCC2 ZINC000252593067 569192836 /nfs/dbraw/zinc/19/28/36/569192836.db2.gz BIUDHHGXKJUKGD-UHFFFAOYSA-N 0 0 441.383 7.135 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000002204960 569192945 /nfs/dbraw/zinc/19/29/45/569192945.db2.gz SLFGTAACOOUBFU-UHFFFAOYSA-N 0 0 425.536 5.562 50 30 IKEARN Clc1ccccc1/C=C/C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000252594606 569192975 /nfs/dbraw/zinc/19/29/75/569192975.db2.gz BTYMLZPPNWAYDA-PZAPUMBBSA-N 0 0 437.724 7.326 50 30 IKEARN CCOc1cc(N(CC)CC)ccc1/C=C1/SC(=Nc2ccc(OC)cc2)N(C)C1=O ZINC000252596229 569193169 /nfs/dbraw/zinc/19/31/69/569193169.db2.gz CHLBOIBYKICALE-LAJNNLEESA-N 0 0 439.581 5.174 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 ZINC000252595875 569193179 /nfs/dbraw/zinc/19/31/79/569193179.db2.gz CETBOSDRFADZJF-DNKROPNVSA-N 0 0 445.588 6.117 50 30 IKEARN O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252596074 569193181 /nfs/dbraw/zinc/19/31/81/569193181.db2.gz CGSSCFISYSKLIY-KAWQFOENSA-N 0 0 435.892 6.057 50 30 IKEARN Cc1cc2c(c(C)c1)NC(=O)/C2=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252597907 569193399 /nfs/dbraw/zinc/19/33/99/569193399.db2.gz CWAFIWKLHMDAAM-ZYATYYCISA-N 0 0 425.513 5.434 50 30 IKEARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1Cl ZINC000252598962 569193499 /nfs/dbraw/zinc/19/34/99/569193499.db2.gz DFQZKDUCCMXISQ-UHFFFAOYSA-N 0 0 442.354 5.358 50 30 IKEARN N#Cc1ccccc1CN=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000252598787 569193536 /nfs/dbraw/zinc/19/35/36/569193536.db2.gz DDYZKPVBNJSCGY-UHFFFAOYSA-N 0 0 428.293 5.377 50 30 aggregator IKEARN CCOc1cc(-c2nc3ccccn3c2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000252601719 569193627 /nfs/dbraw/zinc/19/36/27/569193627.db2.gz FBWGKZHVGGZGHK-UHFFFAOYSA-N 0 0 436.855 5.418 50 30 IKEARN CCOc1ccc(N2CCc3c2nc2ccccc2c3N=C2CCCN2c2ccccc2)cc1 ZINC000252602416 569193957 /nfs/dbraw/zinc/19/39/57/569193957.db2.gz FHPIWDILPWBGPQ-UHFFFAOYSA-N 0 0 448.570 6.658 50 30 IKEARN C=CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002210099 569194151 /nfs/dbraw/zinc/19/41/51/569194151.db2.gz SDAQVULZGDLZRJ-UHFFFAOYSA-N 0 0 428.601 6.065 50 30 IKEARN N#Cc1c(N=Cc2cccc(Br)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000252603915 569194176 /nfs/dbraw/zinc/19/41/76/569194176.db2.gz FULZOGCXGAKRCN-UHFFFAOYSA-N 0 0 427.301 6.998 50 30 IKEARN Cc1ccccc1N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C ZINC000252603611 569194195 /nfs/dbraw/zinc/19/41/95/569194195.db2.gz FSNQOLKXMCXULO-WPCCGSCNSA-N 0 0 428.513 5.841 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252606332 569194500 /nfs/dbraw/zinc/19/45/00/569194500.db2.gz GRDGUXROMHEQPC-SIFMURAYSA-N 0 0 428.557 6.326 50 30 IKEARN Cc1c(N=Cc2ccccc2OCCOc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000252606608 569194508 /nfs/dbraw/zinc/19/45/08/569194508.db2.gz GTTLREYZOWNBHV-UHFFFAOYSA-N 0 0 441.531 5.001 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 ZINC000252607171 569194512 /nfs/dbraw/zinc/19/45/12/569194512.db2.gz GYWBLQYMNLXOHM-ZRAGWZJNSA-N 0 0 448.519 5.647 50 30 IKEARN COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000252607004 569194539 /nfs/dbraw/zinc/19/45/39/569194539.db2.gz GXMBUPUSJQJUTO-MPVWDOOLSA-N 0 0 430.529 5.508 50 30 IKEARN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252606819 569194549 /nfs/dbraw/zinc/19/45/49/569194549.db2.gz GVSWZUGWKHMTRH-MMKHHPBPSA-N 0 0 443.572 6.074 50 30 IKEARN CCCCNC(=O)CSc1nc2ccc(N=Cc3c(O)ccc4ccccc43)cc2s1 ZINC000252608355 569195175 /nfs/dbraw/zinc/19/51/75/569195175.db2.gz HJSUGTMSMSAVIU-UHFFFAOYSA-N 0 0 449.601 5.914 50 30 IKEARN C=CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(OCC)cc1 ZINC000252608131 569195208 /nfs/dbraw/zinc/19/52/08/569195208.db2.gz HGYGCBBSDLDYLK-QLMUGPIMSA-N 0 0 437.590 5.636 50 30 IKEARN COc1ccccc1C=Nc1ccc(Oc2ccc(N=Cc3ccccc3OC)cc2)cc1 ZINC000252608524 569195223 /nfs/dbraw/zinc/19/52/23/569195223.db2.gz HKYJFJYBGMISHG-UHFFFAOYSA-N 0 0 436.511 6.997 50 30 IKEARN COc1cc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)ccc1O ZINC000252611704 569197284 /nfs/dbraw/zinc/19/72/84/569197284.db2.gz ILWWEQVPBZWVPB-UHFFFAOYSA-N 0 0 427.835 5.643 50 30 IKEARN N#Cc1c2c(sc1N=Cc1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCC2 ZINC000252612217 569197375 /nfs/dbraw/zinc/19/73/75/569197375.db2.gz IQISPTBTJSQPJU-UHFFFAOYSA-N 0 0 427.356 6.745 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 ZINC000252612918 569197466 /nfs/dbraw/zinc/19/74/66/569197466.db2.gz IXCUEUGQJZAPJT-MPVWDOOLSA-N 0 0 437.609 5.977 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1C ZINC000252614479 569197522 /nfs/dbraw/zinc/19/75/22/569197522.db2.gz JKBFETATFPMYJS-HXUWFJFHSA-N 0 0 441.984 5.412 50 30 IKEARN Cc1ccc(N=C2S/C(=C/c3cc(Cl)ccc3O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252614431 569197564 /nfs/dbraw/zinc/19/75/64/569197564.db2.gz JJFHRYQLFXFWNT-IGUOQJQCSA-N 0 0 434.948 6.471 50 30 IKEARN COc1cccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O ZINC000252616694 569197646 /nfs/dbraw/zinc/19/76/46/569197646.db2.gz KDRHSIVWJBNKAY-FLDUPFSJSA-N 0 0 430.529 5.248 50 30 IKEARN CC(=O)Oc1ccc(-c2ccc(C=Nc3ccc4c(c3)nc(C)n4-c3ccccc3)cc2)cc1 ZINC000252616664 569197723 /nfs/dbraw/zinc/19/77/23/569197723.db2.gz KDBLRYRHQDNAKV-UHFFFAOYSA-N 0 0 445.522 6.677 50 30 IKEARN CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=Nc1ccccc1 ZINC000252616902 569197733 /nfs/dbraw/zinc/19/77/33/569197733.db2.gz KIDYNMCMMLZZCH-AWAAXKIWSA-N 0 0 449.488 5.487 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1ccc(C)c(Cl)c1 ZINC000252617476 569197822 /nfs/dbraw/zinc/19/78/22/569197822.db2.gz KTPDPPXJUVXQGD-HXUWFJFHSA-N 0 0 441.984 5.412 50 30 IKEARN Cc1cccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1 ZINC000252618120 569197833 /nfs/dbraw/zinc/19/78/33/569197833.db2.gz LECXDHANEYQVFW-YZWRYSEFSA-N 0 0 428.513 5.841 50 30 IKEARN O=C(Nc1sc2c(c1C=NNc1ccc3ccccc3c1)CCCC2)c1ccccc1 ZINC000252617947 569197839 /nfs/dbraw/zinc/19/78/39/569197839.db2.gz LCAYHXHPNCUWRB-UHFFFAOYSA-N 0 0 425.557 6.478 50 30 IKEARN CC(=NOC(=O)Nc1ccc(C)c(NC(=O)ON=C(C)c2ccccc2)c1)c1ccccc1 ZINC000252620556 569199321 /nfs/dbraw/zinc/19/93/21/569199321.db2.gz MGQARQKZPBWNEO-UHFFFAOYSA-N 0 0 444.491 5.940 50 30 IKEARN Cc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252620823 569201412 /nfs/dbraw/zinc/20/14/12/569201412.db2.gz MMQCPIFJAXNHKY-UNHHPBJVSA-N 0 0 428.557 6.434 50 30 IKEARN C(=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1ccccc1 ZINC000252621909 569201777 /nfs/dbraw/zinc/20/17/77/569201777.db2.gz NJYHHTCFAHCIPJ-HNRBIFIRSA-N 0 0 428.579 7.315 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1 ZINC000252622070 569201779 /nfs/dbraw/zinc/20/17/79/569201779.db2.gz NOASPRHBQUYARN-SMIHKQSGSA-N 0 0 436.902 5.019 50 30 IKEARN C=CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002212389 569201781 /nfs/dbraw/zinc/20/17/81/569201781.db2.gz FYDGJEFSRSYYPS-UHFFFAOYSA-N 0 0 428.601 6.065 50 30 IKEARN CC(C)COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252622348 569201858 /nfs/dbraw/zinc/20/18/58/569201858.db2.gz NTITWBAYXKMOTE-UYJNXHFOSA-N 0 0 442.584 6.526 50 30 IKEARN Clc1ccccc1C=Nc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000252622524 569201886 /nfs/dbraw/zinc/20/18/86/569201886.db2.gz NXJXNXLKSDAELX-UHFFFAOYSA-N 0 0 433.942 7.610 50 30 IKEARN Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccc(Br)cc2)n1 ZINC000252622846 569202066 /nfs/dbraw/zinc/20/20/66/569202066.db2.gz ODZQYOZRBGRAMF-UHFFFAOYSA-N 0 0 445.320 5.725 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2cccc(O)c2)C(=O)N1c1ccccc1CC ZINC000252623891 569202254 /nfs/dbraw/zinc/20/22/54/569202254.db2.gz PBRJFQKUOYRTIB-DNKROPNVSA-N 0 0 428.557 6.326 50 30 IKEARN Cc1ccc(N=C2S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252624210 569202614 /nfs/dbraw/zinc/20/26/14/569202614.db2.gz PIYTUXFPRDSHRQ-UNHHPBJVSA-N 0 0 428.557 6.434 50 30 IKEARN Cc1cc(=O)oc2c1ccc(O)c2CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000252624418 569202820 /nfs/dbraw/zinc/20/28/20/569202820.db2.gz PNORUVCVLCSBBV-UHFFFAOYSA-N 0 0 448.482 5.377 50 30 IKEARN Oc1ccc(N=C/C=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 ZINC000252624826 569202879 /nfs/dbraw/zinc/20/28/79/569202879.db2.gz PVZCVHBQXAGIBJ-SKDFXZMKSA-N 0 0 435.346 6.847 50 30 IKEARN Cc1nn(-c2ccccn2)c2c1C(=Nc1ccc(C)cc1)C(=CNc1ccc(C)cc1)CC2 ZINC000252624762 569202896 /nfs/dbraw/zinc/20/28/96/569202896.db2.gz PUPPBZVRWXBMAI-KDJMRDEISA-N 0 0 433.559 6.256 50 30 IKEARN Cc1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1 ZINC000252625635 569203209 /nfs/dbraw/zinc/20/32/09/569203209.db2.gz QOFSONJZHICVCA-DZQLAOGOSA-N 0 0 432.614 7.099 50 30 IKEARN Cc1ccc(N=C2SC(=NN=Cc3ccccc3O)N=C2Nc2ccc(C)cc2)cc1 ZINC000252626025 569203214 /nfs/dbraw/zinc/20/32/14/569203214.db2.gz QUQPMXIGAFXLML-UHFFFAOYSA-N 0 0 427.533 5.496 50 30 IKEARN COc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OC ZINC000252626181 569203250 /nfs/dbraw/zinc/20/32/50/569203250.db2.gz QXYJCFCFJPHJHK-GUGSDYAWSA-N 0 0 444.556 6.129 50 30 IKEARN CCOc1ccc(-c2csc(=NN=C(C)c3ccc(Br)cc3)n2C)cc1 ZINC000252626162 569203313 /nfs/dbraw/zinc/20/33/13/569203313.db2.gz QXTMKZXSDMTSPV-UHFFFAOYSA-N 0 0 430.371 5.240 50 30 IKEARN COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC ZINC000252626584 569203390 /nfs/dbraw/zinc/20/33/90/569203390.db2.gz RBRZIZZMGSUBAI-GQUXDKRHSA-N 0 0 444.556 6.129 50 30 IKEARN C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(Cl)c(Cl)c1 ZINC000252626659 569203410 /nfs/dbraw/zinc/20/34/10/569203410.db2.gz RCXMEQWTKYVIIY-POSJOTSYSA-N 0 0 448.400 6.154 50 30 IKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(Cl)c(Cl)c1 ZINC000252626658 569203415 /nfs/dbraw/zinc/20/34/15/569203415.db2.gz RCXMEQWTKYVIIY-LNRIGYFWSA-N 0 0 448.400 6.154 50 30 IKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000252627158 569203429 /nfs/dbraw/zinc/20/34/29/569203429.db2.gz RNUUUNQDFWLRLC-SKYIDQJDSA-N 0 0 436.920 5.863 50 30 IKEARN COc1ccc(-c2nc(N=Cc3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000252627332 569203545 /nfs/dbraw/zinc/20/35/45/569203545.db2.gz RSAOEYAJYLAAKS-UHFFFAOYSA-N 0 0 431.473 5.850 50 30 IKEARN COc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000252628716 569203815 /nfs/dbraw/zinc/20/38/15/569203815.db2.gz SWCRZESAOKBJCZ-UHFFFAOYSA-N 0 0 441.256 5.861 50 30 IKEARN O=C(Oc1cccc(C=Nc2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000252629500 569203839 /nfs/dbraw/zinc/20/38/39/569203839.db2.gz UHOGWYKLSXUNRB-UHFFFAOYSA-N 0 0 425.784 5.126 50 30 IKEARN Clc1ccc(/C=C/C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 ZINC000252629728 569203851 /nfs/dbraw/zinc/20/38/51/569203851.db2.gz UMMQOWRJBFAPFS-BGEXJYOBSA-N 0 0 427.718 7.871 50 30 IKEARN Cc1ccc(C)c2c1NC(=O)/C2=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252629903 569203948 /nfs/dbraw/zinc/20/39/48/569203948.db2.gz UPYQLDIQRLVHEO-ZOXZCZEASA-N 0 0 425.513 5.434 50 30 IKEARN N#Cc1c2c(sc1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl)CCCC2 ZINC000252629953 569204116 /nfs/dbraw/zinc/20/41/16/569204116.db2.gz URASCPXDCZNQTG-UHFFFAOYSA-N 0 0 441.383 7.135 50 30 IKEARN C=C(C)CSc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 ZINC000002218433 569204201 /nfs/dbraw/zinc/20/42/01/569204201.db2.gz BPQMDWAIKAXFSB-UHFFFAOYSA-N 0 0 426.998 6.206 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1cccs1 ZINC000002222059 569204572 /nfs/dbraw/zinc/20/45/72/569204572.db2.gz SYTLBLXMSPZHGW-YVLHZVERSA-N 0 0 427.275 5.346 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc21 ZINC000252632017 569204861 /nfs/dbraw/zinc/20/48/61/569204861.db2.gz VOFBKTRGDNDUCS-QFIPXVFZSA-N 0 0 429.545 5.295 50 30 IKEARN CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1ccccc1 ZINC000252632475 569204880 /nfs/dbraw/zinc/20/48/80/569204880.db2.gz VUGMMPHYXGXGSI-JOCHJYFZSA-N 0 0 431.561 5.600 50 30 IKEARN Cc1ccccc1N=C1S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C ZINC000252632068 569204898 /nfs/dbraw/zinc/20/48/98/569204898.db2.gz VPPYNVKVOBODLN-SIFMURAYSA-N 0 0 427.573 6.178 50 30 IKEARN Cc1ccc(C(=O)c2c(/C=C/c3ccc(N(C)C)cc3)oc3cc(C#N)c(C#N)cc32)cc1 ZINC000066089264 569205710 /nfs/dbraw/zinc/20/57/10/569205710.db2.gz XOKRZCINIOKPRL-MDWZMJQESA-N 0 0 431.495 5.952 50 30 IKEARN CC(=NOCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1 ZINC000252634248 569206884 /nfs/dbraw/zinc/20/68/84/569206884.db2.gz WLRGDZXANHXURB-UHFFFAOYSA-N 0 0 441.512 5.926 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000252634616 569207203 /nfs/dbraw/zinc/20/72/03/569207203.db2.gz WPFBBTWDGNTPRR-UHFFFAOYSA-N 0 0 427.685 6.367 50 30 IKEARN CCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=Nc1ccc(C)c(C)c1 ZINC000252634793 569207799 /nfs/dbraw/zinc/20/77/99/569207799.db2.gz WQVAFROCZAAHDK-SYVFOUEHSA-N 0 0 445.382 5.698 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1 ZINC000252635896 569207962 /nfs/dbraw/zinc/20/79/62/569207962.db2.gz XBISUPUJBROKNQ-NYUHAYNDSA-N 0 0 446.956 5.380 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 ZINC000252635528 569207967 /nfs/dbraw/zinc/20/79/67/569207967.db2.gz WXWAAZQLYYRCHU-IBORXNHRSA-N 0 0 440.565 5.507 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1 ZINC000252635660 569207984 /nfs/dbraw/zinc/20/79/84/569207984.db2.gz WZCYQMKGKHOEPA-BZMHFZIGSA-N 0 0 425.579 5.469 50 30 IKEARN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(C)cc1C ZINC000252635574 569207985 /nfs/dbraw/zinc/20/79/85/569207985.db2.gz WYZPCDUQQNAHHL-QLMUGPIMSA-N 0 0 439.606 5.696 50 30 IKEARN CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252635951 569208099 /nfs/dbraw/zinc/20/80/99/569208099.db2.gz XCYWWJXXNPXLAA-HOMYTQLHSA-N 0 0 446.956 5.467 50 30 IKEARN Cc1cccc(C)c1NC(=O)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000252636148 569208105 /nfs/dbraw/zinc/20/81/05/569208105.db2.gz XFEOMXUJUXWTTC-UHFFFAOYSA-N 0 0 439.437 5.612 50 30 IKEARN O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000252639512 569208307 /nfs/dbraw/zinc/20/83/07/569208307.db2.gz YLAYICMIVDQPCF-UHFFFAOYSA-N 0 0 425.469 6.481 50 30 IKEARN COc1ccc(OC)c(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000252640615 569208640 /nfs/dbraw/zinc/20/86/40/569208640.db2.gz YVSUAAIWHCGNFG-GCNWNYGFSA-N 0 0 444.556 6.129 50 30 IKEARN CC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1Cl ZINC000252642529 569209485 /nfs/dbraw/zinc/20/94/85/569209485.db2.gz ZMZKOUTWWJXFQD-UHFFFAOYSA-N 0 0 436.386 6.105 50 30 IKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000252643158 569209491 /nfs/dbraw/zinc/20/94/91/569209491.db2.gz ZSXWMYUORRBFDB-UHFFFAOYSA-N 0 0 443.348 6.409 50 30 IKEARN C(=NN1CCN(c2ccccn2)CC1)C1=C(Sc2nc3ccccc3s2)CCCC1 ZINC000252678030 569210523 /nfs/dbraw/zinc/21/05/23/569210523.db2.gz CNHFBRBHWKWDPA-UHFFFAOYSA-N 0 0 435.622 5.420 50 30 IKEARN Cc1ccc(C=NN=C2c3ccccc3C(=O)C2C(=O)C(c2ccccc2)c2ccccc2)o1 ZINC000252679494 569210666 /nfs/dbraw/zinc/21/06/66/569210666.db2.gz NIUOLHPWJOKCPA-ZRDONGIOSA-N 0 0 446.506 6.252 50 30 IKEARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 ZINC000002232332 569210736 /nfs/dbraw/zinc/21/07/36/569210736.db2.gz CFLWGKJVMIGWKM-UOODYVSWSA-N 0 0 435.936 5.505 50 30 IKEARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccccc1Cl ZINC000003660029 569212152 /nfs/dbraw/zinc/21/21/52/569212152.db2.gz KHRNUMWVUWLTGF-UHFFFAOYSA-N 0 0 429.719 5.890 50 30 IKEARN Cc1ccc2nc(-c3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3Cl)oc2c1 ZINC000003084991 569213118 /nfs/dbraw/zinc/21/31/18/569213118.db2.gz VTCHEWBHEJYAAH-KBKYJPHKSA-N 0 0 425.315 7.183 50 30 IKEARN Cc1ccc(C)c(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c1 ZINC000003079746 569213185 /nfs/dbraw/zinc/21/31/85/569213185.db2.gz HLUHYHGXGIRLAA-BRJLIKDPSA-N 0 0 443.286 6.488 50 30 IKEARN Cc1cccc2oc(-c3ccc(/N=C/c4cccc(I)c4)cc3)nc21 ZINC000003115296 569213278 /nfs/dbraw/zinc/21/32/78/569213278.db2.gz HGWQVWUQVRYCAG-YDZHTSKRSA-N 0 0 438.268 6.158 50 30 IKEARN Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(O)c(C)c1Cl ZINC000003113681 569213290 /nfs/dbraw/zinc/21/32/90/569213290.db2.gz FNNDXTLINNBMAU-NSKAYECMSA-N 0 0 445.733 7.528 50 30 IKEARN CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1 ZINC000027467981 569215167 /nfs/dbraw/zinc/21/51/67/569215167.db2.gz LLQMXXAAJQVTJZ-UZWMFBFFSA-N 0 0 449.594 7.497 50 30 IKEARN CCCCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCCC)cc2O)c(O)c1 ZINC000027467526 569215180 /nfs/dbraw/zinc/21/51/80/569215180.db2.gz MOIWEMXEOCCSMZ-MKYUKRCKSA-N 0 0 440.584 6.469 50 30 biogenic IKEARN O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000002260623 569215656 /nfs/dbraw/zinc/21/56/56/569215656.db2.gz AZWJIZXTGQYDCH-UHFFFAOYSA-N 0 0 449.153 5.795 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 ZINC000002260898 569215723 /nfs/dbraw/zinc/21/57/23/569215723.db2.gz CBMGLGXAELNEDX-UHFFFAOYSA-N 0 0 448.698 6.877 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002264647 569216027 /nfs/dbraw/zinc/21/60/27/569216027.db2.gz NVEVZQSYCHHYFG-UHFFFAOYSA-N 0 0 435.959 5.510 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(/N=C/c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000002264748 569216161 /nfs/dbraw/zinc/21/61/61/569216161.db2.gz ASRMNYHYZJEDPI-STBIYBPSSA-N 0 0 442.567 5.058 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000002265601 569216163 /nfs/dbraw/zinc/21/61/63/569216163.db2.gz VAORXMRSTSZONZ-UHFFFAOYSA-N 0 0 434.584 6.184 50 30 IKEARN COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000002267408 569216312 /nfs/dbraw/zinc/21/63/12/569216312.db2.gz CPPNJCAOVMBKSV-ZOODIOSSSA-N 0 0 437.564 7.403 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002254768 569216829 /nfs/dbraw/zinc/21/68/29/569216829.db2.gz ZDCIXMVQIMUCDE-UHFFFAOYSA-N 0 0 428.601 6.244 50 30 IKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)c2ccccc2)c1C#N ZINC000002274875 569217186 /nfs/dbraw/zinc/21/71/86/569217186.db2.gz GDBKWMVCOYVKSY-UHFFFAOYSA-N 0 0 436.536 6.271 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002276668 569217822 /nfs/dbraw/zinc/21/78/22/569217822.db2.gz NRXWTULIFTWMEG-WCQPBMKCSA-N 0 0 431.561 5.483 50 30 IKEARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2sc3c(c2C#N)CCCC3)c1 ZINC000027520273 569218226 /nfs/dbraw/zinc/21/82/26/569218226.db2.gz ZLHMFDCVVCUHNT-GNVQSUKOSA-N 0 0 439.540 6.038 50 30 IKEARN CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000012362682 569256798 /nfs/dbraw/zinc/25/67/98/569256798.db2.gz GGQIDQJAIYDGEX-MBOSRBAXSA-N 0 0 427.585 5.436 50 30 biogenic IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@H]23)cc1 ZINC000025541260 569257424 /nfs/dbraw/zinc/25/74/24/569257424.db2.gz VBLKGSKRRMCRKY-GVURRWLTSA-N 0 0 444.637 5.681 50 30 IKEARN C[Si](C)(C)CCOCn1ccc2c1ncnc2-c1cnn([C@H](CC#N)C2CCCC2)c1 ZINC000197927812 569262891 /nfs/dbraw/zinc/26/28/91/569262891.db2.gz QHQSWYIJDFMBNE-OAQYLSRUSA-N 0 0 436.636 5.252 50 30 IKEARN CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1 ZINC000138166194 569262893 /nfs/dbraw/zinc/26/28/93/569262893.db2.gz RBYDFXAPMDTYEB-LPTDTENNSA-N 0 0 440.634 6.060 50 30 IKEARN CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)ccc1O ZINC000027527954 569263478 /nfs/dbraw/zinc/26/34/78/569263478.db2.gz AHQKVZCGGJHCHU-LNLSZRECSA-N 0 0 438.597 5.783 50 30 IKEARN C=CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002292123 569267998 /nfs/dbraw/zinc/26/79/98/569267998.db2.gz ZLVCQRLMQDFLIR-UHFFFAOYSA-N 0 0 428.601 6.244 50 30 biogenic IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002291658 569268009 /nfs/dbraw/zinc/26/80/09/569268009.db2.gz VEILOHJORFMSSY-XMMPIXPASA-N 0 0 432.907 6.711 50 30 IKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)NC3=O)c2C)cc1 ZINC000002293441 569268021 /nfs/dbraw/zinc/26/80/21/569268021.db2.gz RDXBLRRUYBTFEI-PXLXIMEGSA-N 0 0 445.544 5.162 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000245226590 569269396 /nfs/dbraw/zinc/26/93/96/569269396.db2.gz FFPWFNSTHNZZLR-YLTWVVNKSA-N 0 0 448.636 6.356 50 30 biogenic IKEARN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000245253981 569269703 /nfs/dbraw/zinc/26/97/03/569269703.db2.gz WVXXEBLHRGPWQV-KUWSSDOMSA-N 0 0 446.635 6.498 50 30 IKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000027547198 569271320 /nfs/dbraw/zinc/27/13/20/569271320.db2.gz VRJMMVCEVLBWOQ-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN Cc1ccsc1[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2 ZINC000027547685 569271327 /nfs/dbraw/zinc/27/13/27/569271327.db2.gz NRPBZKZATKYGSE-HXUWFJFHSA-N 0 0 446.494 5.682 50 30 IKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 ZINC000002307088 569271816 /nfs/dbraw/zinc/27/18/16/569271816.db2.gz LBJNAPCRWZIAOS-QNGOZBTKSA-N 0 0 447.585 5.325 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O ZINC000002307931 569271972 /nfs/dbraw/zinc/27/19/72/569271972.db2.gz XUIROGDAGSHYTR-JYAWBRCSSA-N 0 0 439.581 5.037 50 30 IKEARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000002317871 569272607 /nfs/dbraw/zinc/27/26/07/569272607.db2.gz OHNRAPDMFWAIHH-UHFFFAOYSA-N 0 0 427.703 5.342 50 30 IKEARN CCCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)c1C#N ZINC000002311191 569272851 /nfs/dbraw/zinc/27/28/51/569272851.db2.gz QMSXPBZBFHMBGL-UHFFFAOYSA-N 0 0 435.980 6.727 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000253617488 569273559 /nfs/dbraw/zinc/27/35/59/569273559.db2.gz PMBSWZWCNKVWLV-ZKUCRLQPSA-N 0 0 442.684 7.139 50 30 IKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000027572014 569273723 /nfs/dbraw/zinc/27/37/23/569273723.db2.gz MBICDKHQHBALRV-UHFFFAOYSA-N 0 0 427.972 5.712 50 30 IKEARN O=C(Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1 ZINC000002337808 569274912 /nfs/dbraw/zinc/27/49/12/569274912.db2.gz KGCKHEAGJASTTJ-UHFFFAOYSA-N 0 0 438.266 5.501 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H]3O[C@@H]3[C@]21C ZINC000257346888 569279913 /nfs/dbraw/zinc/27/99/13/569279913.db2.gz CYPQELKXBYBDOE-VQGJRAMWSA-N 0 0 446.628 5.154 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 ZINC000257348103 569280098 /nfs/dbraw/zinc/28/00/98/569280098.db2.gz BKOGUJNRCSWUNA-QSWPNCQTSA-N 0 0 446.653 5.473 50 30 IKEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@@]3(C)[C@H]1CC2 ZINC000257348116 569280201 /nfs/dbraw/zinc/28/02/01/569280201.db2.gz BNXIOYCVQJVXLJ-AIQOFOBISA-N 0 0 434.617 6.332 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257349271 569280408 /nfs/dbraw/zinc/28/04/08/569280408.db2.gz MXIKNOBYVNLDDR-SDECMKDGSA-N 0 0 430.677 7.378 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000257349962 569280482 /nfs/dbraw/zinc/28/04/82/569280482.db2.gz SWTNFHMWIPZFLE-GUHVTRCWSA-N 0 0 448.647 6.860 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000257350153 569280585 /nfs/dbraw/zinc/28/05/85/569280585.db2.gz VEEBKUQFPONGGR-MNGODGMHSA-N 0 0 444.700 7.171 50 30 IKEARN C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)CC1=O ZINC000257356410 569280833 /nfs/dbraw/zinc/28/08/33/569280833.db2.gz HVPFVUHFUULZFU-UJDYKWCVSA-N 0 0 434.693 5.641 50 30 IKEARN C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O ZINC000257357608 569280861 /nfs/dbraw/zinc/28/08/61/569280861.db2.gz PBCULPOTNCGYFY-IQMZCNMPSA-N 0 0 442.596 5.328 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000257358569 569280927 /nfs/dbraw/zinc/28/09/27/569280927.db2.gz VEEBKUQFPONGGR-FLTUUUFBSA-N 0 0 444.700 7.171 50 30 IKEARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257358209 569280997 /nfs/dbraw/zinc/28/09/97/569280997.db2.gz SDPXLBMMNBJQCT-YDWIZNKBSA-N 0 0 449.635 5.201 50 30 IKEARN O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(/C=N/OCc2ccccc2Cl)c1 ZINC000263639782 569282466 /nfs/dbraw/zinc/28/24/66/569282466.db2.gz INKIQJDMBKSQIL-BRJLIKDPSA-N 0 0 441.837 5.578 50 30 IKEARN COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000253501626 569283557 /nfs/dbraw/zinc/28/35/57/569283557.db2.gz PFLCXOYUUHWAGR-NHMXABCESA-N 0 0 439.640 5.984 50 30 biogenic IKEARN C=C(C)[C@H]1CC[C@@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253531387 569283898 /nfs/dbraw/zinc/28/38/98/569283898.db2.gz IIMYCYVBVMITJJ-RLMZKIFHSA-N 0 0 425.657 6.062 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000253532005 569284025 /nfs/dbraw/zinc/28/40/25/569284025.db2.gz IKAYYSYGCHKPAB-IGVIKAMMSA-N 0 0 443.716 6.987 50 30 IKEARN CC(=O)ON=C(C)[C@]12C[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253532395 569284052 /nfs/dbraw/zinc/28/40/52/569284052.db2.gz GGQIDQJAIYDGEX-JGDZRIMMSA-N 0 0 427.585 5.436 50 30 IKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000000662100 569284864 /nfs/dbraw/zinc/28/48/64/569284864.db2.gz YRQJZMSDFJVHIA-UHFFFAOYSA-N 0 0 443.450 5.378 50 30 IKEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)c1 ZINC000000662176 569284922 /nfs/dbraw/zinc/28/49/22/569284922.db2.gz MTCRJHFQANNJRZ-UHFFFAOYSA-N 0 0 444.343 5.666 50 30 IKEARN CCN1c2ccc(C(=O)OCCC(F)(F)F)cc2N(CC)/C1=C/C=Nc1ccccc1 ZINC000334157051 569285742 /nfs/dbraw/zinc/28/57/42/569285742.db2.gz QFKDXSSZHQWLSX-WMJFYXQMSA-N 0 0 431.458 5.706 50 30 IKEARN C=C(C)CSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4 ZINC000002361056 569286846 /nfs/dbraw/zinc/28/68/46/569286846.db2.gz XLUXNILKVIAAIB-FQEVSTJZSA-N 0 0 434.656 5.751 50 30 IKEARN N#Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c(N2CCCCCC2)cc1C#N ZINC000008384438 569289652 /nfs/dbraw/zinc/28/96/52/569289652.db2.gz PAUMCLNXQUHMEY-UHFFFAOYSA-N 0 0 445.526 6.213 50 30 IKEARN N#Cc1cc2c(nc1SCC(=O)N(c1ccccc1)c1ccccc1)CCCCCC2 ZINC000008414571 569289690 /nfs/dbraw/zinc/28/96/90/569289690.db2.gz SUEZPXHGYMHXAZ-UHFFFAOYSA-N 0 0 427.573 6.069 50 30 IKEARN CCOC(=O)CCCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000008441146 569289776 /nfs/dbraw/zinc/28/97/76/569289776.db2.gz RRXWTYAEQMAJGE-UHFFFAOYSA-N 0 0 432.545 5.731 50 30 IKEARN COc1ccc(-c2cc(-c3cccs3)nc(SCC(=O)OC(C)(C)C)c2C#N)cc1 ZINC000008448491 569289801 /nfs/dbraw/zinc/28/98/01/569289801.db2.gz YKPUIXLTXHPZAS-UHFFFAOYSA-N 0 0 438.574 5.791 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2C#N)cc1 ZINC000008441105 569289807 /nfs/dbraw/zinc/28/98/07/569289807.db2.gz COOYHJOIGRQXBC-UHFFFAOYSA-N 0 0 449.579 6.635 50 30 IKEARN COc1ccc(-c2cc(-c3cccs3)nc(SCc3ccccc3Cl)c2C#N)cc1 ZINC000008448660 569289810 /nfs/dbraw/zinc/28/98/10/569289810.db2.gz MMEHGAMSVBGPCS-UHFFFAOYSA-N 0 0 449.000 7.303 50 30 IKEARN CCCCSC[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N ZINC000008442334 569289815 /nfs/dbraw/zinc/28/98/15/569289815.db2.gz YGLCRZTWVACOAJ-QFIPXVFZSA-N 0 0 448.657 6.582 50 30 IKEARN CS[C@H]1CCCC[C@@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008443533 569289822 /nfs/dbraw/zinc/28/98/22/569289822.db2.gz QIDCGABYEHXGCU-AZGAKELHSA-N 0 0 446.641 6.416 50 30 IKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1C ZINC000008441079 569289827 /nfs/dbraw/zinc/28/98/27/569289827.db2.gz ZXCFHKTXRKRCRC-UHFFFAOYSA-N 0 0 449.579 6.635 50 30 IKEARN Cc1cc(C)n(C(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)n1 ZINC000008456413 569289889 /nfs/dbraw/zinc/28/98/89/569289889.db2.gz AHGNYHMMLLICSS-UHFFFAOYSA-N 0 0 442.519 5.672 50 30 IKEARN COc1cccc(CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)c1 ZINC000008451021 569289891 /nfs/dbraw/zinc/28/98/91/569289891.db2.gz ADQKWBBPUSXLGT-UHFFFAOYSA-N 0 0 432.545 6.789 50 30 IKEARN COc1ccc(C=O)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000008456236 569289904 /nfs/dbraw/zinc/28/99/04/569289904.db2.gz KPOVJOZPYQLCMA-UHFFFAOYSA-N 0 0 428.435 5.752 50 30 IKEARN CCCSc1ccccc1NC(=O)CSc1nc(-c2cccc(OC)c2)ccc1C#N ZINC000008451072 569289927 /nfs/dbraw/zinc/28/99/27/569289927.db2.gz ORFRBBHFSIKAMI-UHFFFAOYSA-N 0 0 449.601 5.862 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1sc3nc(-c4cccs4)ccc3c1N)CCCC2 ZINC000008451280 569289940 /nfs/dbraw/zinc/28/99/40/569289940.db2.gz JMNZLRJNUCCLSS-UHFFFAOYSA-N 0 0 436.587 5.671 50 30 IKEARN CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000008451239 569289972 /nfs/dbraw/zinc/28/99/72/569289972.db2.gz XSOBHQJBUJOPPJ-UHFFFAOYSA-N 0 0 442.009 5.963 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc(OC)c3)c2C#N)cc1 ZINC000008742262 569290191 /nfs/dbraw/zinc/29/01/91/569290191.db2.gz ICSGVPNUUAUASG-UHFFFAOYSA-N 0 0 438.552 6.597 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CC/C2=C\c1ccco1 ZINC000008767082 569290324 /nfs/dbraw/zinc/29/03/24/569290324.db2.gz DLWZBEVNZKGYDE-GHRIWEEISA-N 0 0 444.943 7.239 50 30 IKEARN Cc1ccc(-c2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c3c2CCCC3)cc1 ZINC000008781826 569290657 /nfs/dbraw/zinc/29/06/57/569290657.db2.gz AFWUPRKHRPFYIV-UHFFFAOYSA-N 0 0 439.411 7.407 50 30 IKEARN Cc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000008857098 569291407 /nfs/dbraw/zinc/29/14/07/569291407.db2.gz OCXRYRIXDALDHC-VGHNRZQDSA-N 0 0 442.317 6.806 50 30 IKEARN COc1ccc(C(=O)/C=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000008857417 569291548 /nfs/dbraw/zinc/29/15/48/569291548.db2.gz ZUVZCVGRAQQFML-XNTDXEJSSA-N 0 0 445.971 7.085 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008888194 569291910 /nfs/dbraw/zinc/29/19/10/569291910.db2.gz PVCQIYANENDXBU-BGEKPKEUSA-N 0 0 436.895 5.981 50 30 IKEARN COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008888346 569292020 /nfs/dbraw/zinc/29/20/20/569292020.db2.gz IEBOWXSPUXZXHK-UHFFFAOYSA-N 0 0 443.334 5.984 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c1C#N ZINC000009130397 569293946 /nfs/dbraw/zinc/29/39/46/569293946.db2.gz FHPOTEJYQQSYNE-HOCLYGCPSA-N 0 0 449.458 5.193 50 30 IKEARN C[C@H](Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000009161334 569294065 /nfs/dbraw/zinc/29/40/65/569294065.db2.gz WVUHYZSQFIYXGI-AWEZNQCLSA-N 0 0 442.462 6.264 50 30 IKEARN COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)no2)c1 ZINC000009597835 569297419 /nfs/dbraw/zinc/29/74/19/569297419.db2.gz FUETUFSSHFXHMC-OAHLLOKOSA-N 0 0 435.549 5.687 50 30 IKEARN COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)no1 ZINC000009597845 569297425 /nfs/dbraw/zinc/29/74/25/569297425.db2.gz UBSUMNIDYLNHGT-AWEZNQCLSA-N 0 0 435.549 5.687 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002397544 569298601 /nfs/dbraw/zinc/29/86/01/569298601.db2.gz PNWDSOUKILEGBI-UHFFFAOYSA-N 0 0 430.552 5.537 50 30 IKEARN COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 ZINC000002398385 569298639 /nfs/dbraw/zinc/29/86/39/569298639.db2.gz VMYXYEPJBJGKLA-YVNNLAQVSA-N 0 0 438.838 5.461 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C1CCCCC1 ZINC000002400298 569299482 /nfs/dbraw/zinc/29/94/82/569299482.db2.gz HJRFXIZPQPKQKE-NDENLUEZSA-N 0 0 427.294 5.551 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2CCc2ccccc2)c1=O ZINC000002407410 569300344 /nfs/dbraw/zinc/30/03/44/569300344.db2.gz GKIPIMAHLAFRFW-UHFFFAOYSA-N 0 0 439.563 5.508 50 30 IKEARN N#Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)sc2c1CCCC2 ZINC000002415881 569300814 /nfs/dbraw/zinc/30/08/14/569300814.db2.gz CFSKKUUAOMDHJV-UHFFFAOYSA-N 0 0 426.497 5.524 50 30 IKEARN Cc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccccc1 ZINC000002413263 569301153 /nfs/dbraw/zinc/30/11/53/569301153.db2.gz LLAAQIOQSCJUBY-NRFANRHFSA-N 0 0 436.515 5.267 50 30 IKEARN CCCCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002416482 569301532 /nfs/dbraw/zinc/30/15/32/569301532.db2.gz FUNKOUYYKOPHGF-UHFFFAOYSA-N 0 0 442.610 5.422 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O ZINC000002424312 569302338 /nfs/dbraw/zinc/30/23/38/569302338.db2.gz UUHIEPDWWKMOLD-MYKKPKGFSA-N 0 0 436.435 5.047 50 30 IKEARN C[C@H](c1ccccc1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002423687 569302380 /nfs/dbraw/zinc/30/23/80/569302380.db2.gz RKESSTGBNYZSFV-LLVKDONJSA-N 0 0 434.380 5.279 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1OC ZINC000002424204 569302394 /nfs/dbraw/zinc/30/23/94/569302394.db2.gz LXMGYQGRPKVZJN-KSEXSDGBSA-N 0 0 440.854 5.692 50 30 IKEARN Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccccc2)cc1 ZINC000002428656 569302899 /nfs/dbraw/zinc/30/28/99/569302899.db2.gz MYPMKLZNDNABPC-OAQYLSRUSA-N 0 0 436.515 5.267 50 30 IKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1 ZINC000002429740 569302951 /nfs/dbraw/zinc/30/29/51/569302951.db2.gz VLQVXLSZAIYTGH-KSEXSDGBSA-N 0 0 440.854 5.692 50 30 IKEARN O=C(/C=C/c1ccc(Cl)cc1)c1cc(F)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000011867658 569303089 /nfs/dbraw/zinc/30/30/89/569303089.db2.gz RLMRDGMPZIOTPM-QDEBKDIKSA-N 0 0 425.799 5.503 50 30 IKEARN O=C(/C=C/c1cccs1)c1cc(Cl)ccc1OC(=O)c1ccccc1Br ZINC000011867660 569303109 /nfs/dbraw/zinc/30/31/09/569303109.db2.gz ZNEXTHWTEFPJDX-CMDGGOBGSA-N 0 0 447.737 6.279 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000011868137 569303136 /nfs/dbraw/zinc/30/31/36/569303136.db2.gz XSJPPSIEMSOJIA-KGENOOAVSA-N 0 0 449.506 6.928 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 ZINC000002443727 569304132 /nfs/dbraw/zinc/30/41/32/569304132.db2.gz OTVAGLKLTIJFNW-UHFFFAOYSA-N 0 0 437.355 6.405 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c(OC)c1 ZINC000002447386 569304525 /nfs/dbraw/zinc/30/45/25/569304525.db2.gz QEQRJXQJVVELOU-APSNUPSMSA-N 0 0 442.846 5.268 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O ZINC000002449011 569304683 /nfs/dbraw/zinc/30/46/83/569304683.db2.gz RRZKAHDGSFROPK-UHFFFAOYSA-N 0 0 443.595 6.155 50 30 IKEARN N#Cc1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c(c1C(F)(F)F)CCC2 ZINC000012956980 569305283 /nfs/dbraw/zinc/30/52/83/569305283.db2.gz YNZDFIHWWPTZJW-UHFFFAOYSA-N 0 0 445.388 5.210 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000070004375 569308292 /nfs/dbraw/zinc/30/82/92/569308292.db2.gz SPRPKEWDKVWIRV-HSZRJFAPSA-N 0 0 447.332 5.201 50 30 IKEARN N#Cc1ccccc1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCC1 ZINC000013059263 569308353 /nfs/dbraw/zinc/30/83/53/569308353.db2.gz KTKJHVKOSSOTFI-UHFFFAOYSA-N 0 0 443.597 6.404 50 30 IKEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1oc2ccc(OC)cc2c1C ZINC000013096923 569309316 /nfs/dbraw/zinc/30/93/16/569309316.db2.gz NYFKMFMBDMHJEY-UHFFFAOYSA-N 0 0 430.254 5.002 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3cc(Cl)c4c(c3)OCCCO4)cc2)cc1 ZINC000013095566 569309410 /nfs/dbraw/zinc/30/94/10/569309410.db2.gz ZFZPSQCXTFVHIE-NYYWCZLTSA-N 0 0 431.875 5.659 50 30 IKEARN Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013098867 569309688 /nfs/dbraw/zinc/30/96/88/569309688.db2.gz YYZJFZVWTORWOV-UHFFFAOYSA-N 0 0 439.972 5.035 50 30 IKEARN CCc1cc(SCC(=O)Nc2cccc(SC)c2)n2c3ccccc3nc2c1C#N ZINC000013141687 569311488 /nfs/dbraw/zinc/31/14/88/569311488.db2.gz CZJIROOOHIZTHZ-UHFFFAOYSA-N 0 0 432.574 5.374 50 30 IKEARN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4cccc(C#N)c4)cc3)n2)cc1C ZINC000013360715 569314038 /nfs/dbraw/zinc/31/40/38/569314038.db2.gz CDPAECUEMJKYNG-UHFFFAOYSA-N 0 0 429.501 5.298 50 30 IKEARN CC(C)[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000328592472 569317205 /nfs/dbraw/zinc/31/72/05/569317205.db2.gz SOXFWCHWFGPACR-PKTZIBPZSA-N 0 0 430.504 5.589 50 30 IKEARN CC[C@@](O)(CNC(=O)c1c(C)cccc1Br)c1ccc(Br)cc1 ZINC000328596515 569318010 /nfs/dbraw/zinc/31/80/10/569318010.db2.gz YWHMYGPYLTXMDN-GOSISDBHSA-N 0 0 441.163 5.122 50 30 IKEARN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000078870167 569319619 /nfs/dbraw/zinc/31/96/19/569319619.db2.gz DZKXYCPUMLCATK-NRFANRHFSA-N 0 0 437.975 5.098 50 30 IKEARN CC(C)c1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000019682078 569326262 /nfs/dbraw/zinc/32/62/62/569326262.db2.gz FJONRWHYWONIQI-UHFFFAOYSA-N 0 0 443.982 5.458 50 30 IKEARN CCCc1cc(N2CCN(Cc3ccccc3Cl)CC2)n2c3ccccc3nc2c1C#N ZINC000019808428 569329786 /nfs/dbraw/zinc/32/97/86/569329786.db2.gz OGRRPFHHQYACIF-UHFFFAOYSA-N 0 0 443.982 5.287 50 30 IKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1Cl ZINC000019820339 569330052 /nfs/dbraw/zinc/33/00/52/569330052.db2.gz UHZGTUGQZUTPCI-UHFFFAOYSA-N 0 0 438.984 6.440 50 30 IKEARN C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)CCC4CCCCC4)sc3C)cc21 ZINC000019820219 569330101 /nfs/dbraw/zinc/33/01/01/569330101.db2.gz AMUKXSZXMSNJET-UHFFFAOYSA-N 0 0 439.581 5.329 50 30 IKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1OC ZINC000019820343 569330104 /nfs/dbraw/zinc/33/01/04/569330104.db2.gz BNKCXTUEYQMSHE-UHFFFAOYSA-N 0 0 434.565 5.795 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)c(Cl)c1 ZINC000019841247 569330196 /nfs/dbraw/zinc/33/01/96/569330196.db2.gz QJZWYOQUPMMQNB-UHFFFAOYSA-N 0 0 437.902 5.461 50 30 IKEARN CC[C@H](C)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 ZINC000019852354 569330407 /nfs/dbraw/zinc/33/04/07/569330407.db2.gz CFGCPZUVSMONEC-AWEZNQCLSA-N 0 0 447.589 5.380 50 30 IKEARN N#Cc1c(N)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(N)c2c1-c1cccs1 ZINC000019852948 569330409 /nfs/dbraw/zinc/33/04/09/569330409.db2.gz BIPVSKROUWQYHC-UHFFFAOYSA-N 0 0 434.590 5.460 50 30 IKEARN COc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2C#N)cc1 ZINC000019947275 569332178 /nfs/dbraw/zinc/33/21/78/569332178.db2.gz RXYPXBNFVMSZGK-UHFFFAOYSA-N 0 0 442.544 5.181 50 30 IKEARN Oc1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 ZINC000020033372 569332577 /nfs/dbraw/zinc/33/25/77/569332577.db2.gz BRGJIRDEULZHNL-SKWFZLDSSA-N 0 0 444.578 7.020 50 30 IKEARN Oc1ccccc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000020033377 569332595 /nfs/dbraw/zinc/33/25/95/569332595.db2.gz BRGJIRDEULZHNL-VVLOWPPNSA-N 0 0 444.578 7.020 50 30 IKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1O ZINC000020034024 569332607 /nfs/dbraw/zinc/33/26/07/569332607.db2.gz KJOAVGRKHOLIJL-JFLMPSFJSA-N 0 0 427.435 5.865 50 30 IKEARN CCOc1ccc(/C=C2\CC/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC ZINC000020115301 569334995 /nfs/dbraw/zinc/33/49/95/569334995.db2.gz SBYXGUHVARNWRU-KBNZVFGVSA-N 0 0 436.548 6.111 50 30 IKEARN Cc1ccc(CSc2nc3n(n2)[C@@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)c(C)c1 ZINC000020134131 569335551 /nfs/dbraw/zinc/33/55/51/569335551.db2.gz DHMSTSBBSKJNKE-QFIPXVFZSA-N 0 0 434.540 5.348 50 30 IKEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 ZINC000020134148 569335572 /nfs/dbraw/zinc/33/55/72/569335572.db2.gz LKEWDCYFOAAIBX-HSZRJFAPSA-N 0 0 446.576 5.218 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@@H](c3cccc(Cl)c3)C12 ZINC000020135539 569335663 /nfs/dbraw/zinc/33/56/63/569335663.db2.gz XRIFHMCNQUKSLS-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1ccc(OCc2ccccc2)cc1)CC(=O)N3 ZINC000020150258 569336207 /nfs/dbraw/zinc/33/62/07/569336207.db2.gz IXHIHSJYVCEXNU-GOSISDBHSA-N 0 0 440.528 5.761 50 30 IKEARN O=C1/C(=C/c2cccc(Br)c2)CS/C1=C\c1cccc(Br)c1 ZINC000020151941 569336470 /nfs/dbraw/zinc/33/64/70/569336470.db2.gz SRRKCHWZJUBXCB-WEDCBCPPSA-N 0 0 436.168 5.952 50 30 IKEARN C=CCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152154 569336648 /nfs/dbraw/zinc/33/66/48/569336648.db2.gz LGYCUKMPRHGPTJ-WQRHYEAKSA-N 0 0 446.931 5.549 50 30 IKEARN N#Cc1c(-c2ccccc2)ccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020219051 569356824 /nfs/dbraw/zinc/35/68/24/569356824.db2.gz TXEYIHRJHRAXQS-UHFFFAOYSA-N 0 0 443.860 5.014 50 30 IKEARN C=CCN1C(=S)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C)=C1C ZINC000096278254 569389101 /nfs/dbraw/zinc/38/91/01/569389101.db2.gz CKFDOFQBRZLEMP-HXUWFJFHSA-N 0 0 445.510 5.344 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1ccc(C(F)(F)F)cc1 ZINC000096280158 569389524 /nfs/dbraw/zinc/38/95/24/569389524.db2.gz KTBSASSDJWGUEP-UHFFFAOYSA-N 0 0 430.470 5.803 50 30 IKEARN C=CCn1c(C)nnc1SCc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000096289592 569390681 /nfs/dbraw/zinc/39/06/81/569390681.db2.gz AHAYCZFMGFWXAI-UHFFFAOYSA-N 0 0 446.498 5.014 50 30 IKEARN C=CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1ccc(C)cc1 ZINC000096291023 569390972 /nfs/dbraw/zinc/39/09/72/569390972.db2.gz HOWMDSPVNKBPEZ-UHFFFAOYSA-N 0 0 444.560 5.255 50 30 IKEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000096346567 569397167 /nfs/dbraw/zinc/39/71/67/569397167.db2.gz MVJQJXABALXQCO-MOPGFXCFSA-N 0 0 426.545 5.811 50 30 IKEARN CCCCOc1ccc(NSC(=S)Nc2cc(C)nc(SCCCC)n2)cc1 ZINC000096562575 569401166 /nfs/dbraw/zinc/40/11/66/569401166.db2.gz QBXBQVQGCMGVSS-UHFFFAOYSA-N 0 0 436.672 6.534 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000096580174 569401536 /nfs/dbraw/zinc/40/15/36/569401536.db2.gz XQRHHEAEMRWLDQ-DNVJHFABSA-N 0 0 441.943 5.686 50 30 IKEARN C=CCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000002493471 569405567 /nfs/dbraw/zinc/40/55/67/569405567.db2.gz FMPDRPSBKCXPIH-OAHLLOKOSA-N 0 0 443.569 5.119 50 30 IKEARN CCCSc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000002504246 569406238 /nfs/dbraw/zinc/40/62/38/569406238.db2.gz NLIFCNUNWPYLPG-HNNXBMFYSA-N 0 0 427.595 5.204 50 30 IKEARN O=C(Nc1ccccc1C(F)(F)F)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000028048879 569406590 /nfs/dbraw/zinc/40/65/90/569406590.db2.gz PDTOPJUDDDVYQR-UHFFFAOYSA-N 0 0 431.414 5.824 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052168 569406785 /nfs/dbraw/zinc/40/67/85/569406785.db2.gz AHLJQHUISPHXIK-SBUREZEXSA-N 0 0 434.923 5.993 50 30 IKEARN Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051618 569406837 /nfs/dbraw/zinc/40/68/37/569406837.db2.gz ACQYNELHLXNPJA-HRAATJIYSA-N 0 0 435.321 5.704 50 30 IKEARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052308 569406857 /nfs/dbraw/zinc/40/68/57/569406857.db2.gz DMOJYYSNYXAHLQ-JTSKRJEESA-N 0 0 448.906 5.381 50 30 IKEARN COC(=O)c1ccc(N2Cc3ccccc3C2=NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000254599970 569407718 /nfs/dbraw/zinc/40/77/18/569407718.db2.gz AEVFNYLEFIKKQP-UHFFFAOYSA-N 0 0 439.298 5.387 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(F)cc3)c2c1 ZINC000028182407 569408643 /nfs/dbraw/zinc/40/86/43/569408643.db2.gz UMHGZQYWTQOCAL-UHFFFAOYSA-N 0 0 431.463 6.455 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 ZINC000028182545 569408732 /nfs/dbraw/zinc/40/87/32/569408732.db2.gz FOPXAJBARZWKLR-GATIEOLUSA-N 0 0 447.893 6.649 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2ccccc21 ZINC000028182586 569408780 /nfs/dbraw/zinc/40/87/80/569408780.db2.gz VLDBJTIDQPKCOH-QFEZKATASA-N 0 0 427.475 6.304 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1F ZINC000002624554 569411502 /nfs/dbraw/zinc/41/15/02/569411502.db2.gz MKLOZWYSUVEOOB-UHFFFAOYSA-N 0 0 444.535 5.668 50 30 IKEARN N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccccc4Br)o3)cc2)cc1 ZINC000002624383 569411546 /nfs/dbraw/zinc/41/15/46/569411546.db2.gz AMDPQJLHLTYOAX-UHFFFAOYSA-N 0 0 432.277 5.617 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C ZINC000002626039 569411717 /nfs/dbraw/zinc/41/17/17/569411717.db2.gz ACWBFFLIWKLSTI-UHFFFAOYSA-N 0 0 447.539 5.048 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C ZINC000002626898 569411736 /nfs/dbraw/zinc/41/17/36/569411736.db2.gz YHYYMHRKBFOQGQ-UHFFFAOYSA-N 0 0 446.551 5.653 50 30 IKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)c1C ZINC000002628462 569412001 /nfs/dbraw/zinc/41/20/01/569412001.db2.gz IVDOZSODORMCML-UHFFFAOYSA-N 0 0 438.527 5.854 50 30 IKEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCc1csc(-c2ccccc2)n1 ZINC000002634041 569412787 /nfs/dbraw/zinc/41/27/87/569412787.db2.gz OXPQXTSASQDPJA-UHFFFAOYSA-N 0 0 437.615 5.937 50 30 IKEARN O=C1c2ccccc2C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000002635422 569412898 /nfs/dbraw/zinc/41/28/98/569412898.db2.gz RZYOLVDVNATONR-OAHLLOKOSA-N 0 0 437.208 5.226 50 30 IKEARN O=C1c2ccccc2C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000002635423 569412931 /nfs/dbraw/zinc/41/29/31/569412931.db2.gz RZYOLVDVNATONR-HNNXBMFYSA-N 0 0 437.208 5.226 50 30 IKEARN Cc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1-c1ccccc1 ZINC000215705960 569413245 /nfs/dbraw/zinc/41/32/45/569413245.db2.gz CRDXIJBMJQVOCZ-UHFFFAOYSA-N 0 0 428.439 5.073 50 30 IKEARN CCc1cc2c(ncnc2SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 ZINC000002639369 569413345 /nfs/dbraw/zinc/41/33/45/569413345.db2.gz GLQPXVPRCCSIAR-LLVKDONJSA-N 0 0 428.608 5.042 50 30 IKEARN O=C(CSc1ccc(/N=C/c2cccnc2Cl)cc1)Nc1ccc2ccccc2c1 ZINC000215724134 569414146 /nfs/dbraw/zinc/41/41/46/569414146.db2.gz IZWOPSPHGBZDPA-JFLMPSFJSA-N 0 0 431.948 6.370 50 30 IKEARN Cc1cc(C#N)c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1-c1ccccc1 ZINC000215734916 569414629 /nfs/dbraw/zinc/41/46/29/569414629.db2.gz OLHKCWXPDVXMJI-UHFFFAOYSA-N 0 0 443.450 5.558 50 30 IKEARN N#Cc1c(N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002678388 569416636 /nfs/dbraw/zinc/41/66/36/569416636.db2.gz MDOCUJBIZRLWOL-QGZVFWFLSA-N 0 0 446.762 5.176 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C#N ZINC000002739036 569419190 /nfs/dbraw/zinc/41/91/90/569419190.db2.gz KKHVZTVTTAMNAN-UHFFFAOYSA-N 0 0 445.426 5.064 50 30 IKEARN CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)cc1 ZINC000002739310 569419192 /nfs/dbraw/zinc/41/91/92/569419192.db2.gz CLPDLIRHZNCABD-RTWAWAEBSA-N 0 0 434.992 6.881 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000002740257 569419204 /nfs/dbraw/zinc/41/92/04/569419204.db2.gz PRFSQXPENOLKOG-LBPRGKRZSA-N 0 0 429.010 6.891 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2C)c(C#N)c1C ZINC000002746595 569419920 /nfs/dbraw/zinc/41/99/20/569419920.db2.gz BRNBNKFRTAOWHU-UHFFFAOYSA-N 0 0 447.988 5.170 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(Cl)cccc3Cl)sc2C1 ZINC000002750878 569420166 /nfs/dbraw/zinc/42/01/66/569420166.db2.gz AEFNJFRNTLIMGK-LXKVQUBZSA-N 0 0 433.404 6.729 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3c(C)onc3-c3ccccc3)sc2C1 ZINC000002757210 569420283 /nfs/dbraw/zinc/42/02/83/569420283.db2.gz WGRKUFMHQURTPG-KRWDZBQOSA-N 0 0 433.577 6.377 50 30 IKEARN Clc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc(Br)cc3)ccc2o1 ZINC000002756900 569420375 /nfs/dbraw/zinc/42/03/75/569420375.db2.gz OHPYJYQMIULWFR-DFJXIDDLSA-N 0 0 437.724 7.326 50 30 IKEARN Cc1c(C#N)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc1C(=O)N(C)C ZINC000002761686 569420490 /nfs/dbraw/zinc/42/04/90/569420490.db2.gz VSSCAJXDBVEWFM-FQEVSTJZSA-N 0 0 435.574 5.102 50 30 IKEARN Cc1ccc(C)c(-c2csc(NC(=O)/C=C/c3ccc(Br)cc3)c2C#N)c1 ZINC000002773632 569420808 /nfs/dbraw/zinc/42/08/08/569420808.db2.gz JBUKEJILUJRXRX-JXMROGBWSA-N 0 0 437.362 6.318 50 30 IKEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000002790144 569421381 /nfs/dbraw/zinc/42/13/81/569421381.db2.gz GRPWGWOYMSKWNZ-QPSGOUHRSA-N 0 0 433.267 5.299 50 30 IKEARN CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC ZINC000002792446 569421502 /nfs/dbraw/zinc/42/15/02/569421502.db2.gz UBCZTMJKKKKYAV-KRWDZBQOSA-N 0 0 440.609 5.749 50 30 IKEARN COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F ZINC000002792430 569421565 /nfs/dbraw/zinc/42/15/65/569421565.db2.gz YDOQOOZSHDYPDV-CYBMUJFWSA-N 0 0 434.508 5.633 50 30 IKEARN CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F ZINC000002792484 569421585 /nfs/dbraw/zinc/42/15/85/569421585.db2.gz BDKOMLFURYDYAF-CQSZACIVSA-N 0 0 448.535 6.023 50 30 IKEARN CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000002801646 569422285 /nfs/dbraw/zinc/42/22/85/569422285.db2.gz HELZYYZRTNHBFB-SNVBAGLBSA-N 0 0 436.027 5.247 50 30 IKEARN CCCO[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)c1ccccc1)C(F)(F)F ZINC000670420944 569422979 /nfs/dbraw/zinc/42/29/79/569422979.db2.gz DBUAPPJYRIGNCY-NWDGAFQWSA-N 0 0 430.238 5.362 50 30 IKEARN COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)c1 ZINC000002865516 569423609 /nfs/dbraw/zinc/42/36/09/569423609.db2.gz XKSLESOXXWKMRE-UHFFFAOYSA-N 0 0 432.936 5.760 50 30 IKEARN C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N ZINC000002871686 569423723 /nfs/dbraw/zinc/42/37/23/569423723.db2.gz NSMQBOKQDWPGQI-ZDUSSCGKSA-N 0 0 437.462 5.271 50 30 IKEARN Cc1sc(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)c(C#N)c1C ZINC000002868171 569423745 /nfs/dbraw/zinc/42/37/45/569423745.db2.gz BVHGQGCCLJDNAU-UHFFFAOYSA-N 0 0 441.556 6.491 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)c1C#N ZINC000002875637 569423811 /nfs/dbraw/zinc/42/38/11/569423811.db2.gz CBUXUPICCUPHSE-UHFFFAOYSA-N 0 0 445.426 5.064 50 30 IKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000002911304 569424936 /nfs/dbraw/zinc/42/49/36/569424936.db2.gz FWHJWOGMXAQAPN-UHFFFAOYSA-N 0 0 431.315 5.094 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)cc1 ZINC000002942022 569426783 /nfs/dbraw/zinc/42/67/83/569426783.db2.gz MCUIUKATYMKOCQ-LTGZKZEYSA-N 0 0 446.374 7.077 50 30 IKEARN CC(C)c1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 ZINC000057270722 569430273 /nfs/dbraw/zinc/43/02/73/569430273.db2.gz HNBJZBPADCUIAX-QHCPKHFHSA-N 0 0 435.618 5.611 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S ZINC000002980599 569434120 /nfs/dbraw/zinc/43/41/20/569434120.db2.gz PGWTUMPYMHBWLY-WQRHYEAKSA-N 0 0 436.385 5.960 50 30 IKEARN Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1cccc(C)c1C ZINC000002995160 569435059 /nfs/dbraw/zinc/43/50/59/569435059.db2.gz QCDVQMAPZBDBHX-UVHMKAGCSA-N 0 0 430.577 5.243 50 30 IKEARN Cc1ccc(-n2c3nc(SCC#N)n(-c4ccccc4)c(=O)c3sc2=S)c(C)c1 ZINC000003026851 569436249 /nfs/dbraw/zinc/43/62/49/569436249.db2.gz HNAXKLMPXXODFX-UHFFFAOYSA-N 0 0 436.587 5.200 50 30 IKEARN Cc1ccccc1-n1c2nc(SCC#N)n(-c3ccccc3F)c(=O)c2sc1=S ZINC000003026522 569436296 /nfs/dbraw/zinc/43/62/96/569436296.db2.gz MNZBBRUNDXYTPB-UHFFFAOYSA-N 0 0 440.550 5.031 50 30 IKEARN N#Cc1c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 ZINC000003066954 569439555 /nfs/dbraw/zinc/43/95/55/569439555.db2.gz FWWXKTOQVIBTNM-UHFFFAOYSA-N 0 0 427.323 5.773 50 30 IKEARN O=C(C[C@H](N=Cc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000003082505 569439942 /nfs/dbraw/zinc/43/99/42/569439942.db2.gz JAVCPZROVXFRMI-CPHRPENTSA-N 0 0 434.106 5.679 50 30 IKEARN O=C(C[C@@H](N=Cc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000003082507 569439947 /nfs/dbraw/zinc/43/99/47/569439947.db2.gz JAVCPZROVXFRMI-YJCKXXIQSA-N 0 0 434.106 5.679 50 30 IKEARN Cc1cccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2[N+](=O)[O-])c1 ZINC000003089528 569439976 /nfs/dbraw/zinc/43/99/76/569439976.db2.gz ZJMGXLJNSDMHLY-YDZHTSKRSA-N 0 0 439.265 5.636 50 30 IKEARN Clc1ccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)c(Cl)c1 ZINC000003102956 569440192 /nfs/dbraw/zinc/44/01/92/569440192.db2.gz IWYWAJTYHPKRQH-BHGWPJFGSA-N 0 0 446.131 7.315 50 30 IKEARN CCOC(=O)c1cc(C#N)c(SCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000003104576 569440275 /nfs/dbraw/zinc/44/02/75/569440275.db2.gz ODSSKYTXFXHUKH-UHFFFAOYSA-N 0 0 442.462 6.108 50 30 IKEARN CCOC(=O)c1cc(C#N)c(SCc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000003104581 569440277 /nfs/dbraw/zinc/44/02/77/569440277.db2.gz AZSKCYGQXVDNIA-UHFFFAOYSA-N 0 0 443.355 6.396 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1Cl ZINC000003113725 569440367 /nfs/dbraw/zinc/44/03/67/569440367.db2.gz KGOZCZHHFUHTFM-OPEKNORGSA-N 0 0 431.706 7.214 50 30 IKEARN COc1ccc(/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1Cl ZINC000003113616 569440383 /nfs/dbraw/zinc/44/03/83/569440383.db2.gz UPDOHHFVZSRQTR-FBCYGCLPSA-N 0 0 449.526 5.338 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1)c1ccc(F)cc1 ZINC000003143871 569440855 /nfs/dbraw/zinc/44/08/55/569440855.db2.gz OALXEKMRBZNENG-STBIYBPSSA-N 0 0 436.442 6.604 50 30 IKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1cccc(C(F)(F)F)c1 ZINC000003171590 569441234 /nfs/dbraw/zinc/44/12/34/569441234.db2.gz NRXBHFZOVBRXCM-UHFFFAOYSA-N 0 0 435.858 5.199 50 30 IKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000003202427 569441616 /nfs/dbraw/zinc/44/16/16/569441616.db2.gz QPMFWOVRCQXTJL-ZMOGYAJESA-N 0 0 435.277 5.795 50 30 IKEARN C=CCn1c(S[C@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O ZINC000003220467 569441956 /nfs/dbraw/zinc/44/19/56/569441956.db2.gz NIVQKFDCMPSBJF-IBGZPJMESA-N 0 0 429.570 5.538 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2[C@@H](C)CC)nc2sc(C)c(C)c2c1=O ZINC000003249956 569442847 /nfs/dbraw/zinc/44/28/47/569442847.db2.gz IOUJUOAZZHJWNF-AWEZNQCLSA-N 0 0 441.622 5.505 50 30 IKEARN N#CCCN(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccccc1 ZINC000003260052 569443190 /nfs/dbraw/zinc/44/31/90/569443190.db2.gz QZYNACZQQJFXQS-UHFFFAOYSA-N 0 0 447.541 5.128 50 30 IKEARN C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003282272 569443922 /nfs/dbraw/zinc/44/39/22/569443922.db2.gz XZAXXHAISRZBFW-UHFFFAOYSA-N 0 0 435.593 5.932 50 30 IKEARN N#Cc1cccc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 ZINC000003299635 569444937 /nfs/dbraw/zinc/44/49/37/569444937.db2.gz ABOLMQZNXOXHHE-UHFFFAOYSA-N 0 0 432.486 5.480 50 30 IKEARN N#Cc1ccc(-c2csc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 ZINC000003306500 569445247 /nfs/dbraw/zinc/44/52/47/569445247.db2.gz VKRXMNUAKMDOCH-UHFFFAOYSA-N 0 0 430.341 6.456 50 30 IKEARN Cc1sc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c(C#N)c1C ZINC000058032892 569445633 /nfs/dbraw/zinc/44/56/33/569445633.db2.gz GANJLAQVKDRTCC-UHFFFAOYSA-N 0 0 444.379 5.798 50 30 IKEARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1cccc(C#N)c1 ZINC000003318301 569445808 /nfs/dbraw/zinc/44/58/08/569445808.db2.gz KFTZKRRKCJLBEU-UHFFFAOYSA-N 0 0 439.924 5.167 50 30 IKEARN N#Cc1c(NC(=O)COC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000003345093 569447066 /nfs/dbraw/zinc/44/70/66/569447066.db2.gz PDVHNZTWZRXLMB-UHFFFAOYSA-N 0 0 430.938 5.162 50 30 IKEARN CC(C)(C)c1ccc(-c2nnc(SCCOc3ccc(C#N)cc3)n2C2CCCC2)cc1 ZINC000003370726 569448433 /nfs/dbraw/zinc/44/84/33/569448433.db2.gz PGUFAGIKWZRIDC-UHFFFAOYSA-N 0 0 446.620 6.400 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003378964 569448717 /nfs/dbraw/zinc/44/87/17/569448717.db2.gz QLBOTIHDASZKSR-UHFFFAOYSA-N 0 0 447.903 5.284 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1Sc1ccc(Cl)cc1[N+](=O)[O-])CCCC3 ZINC000003416962 569450282 /nfs/dbraw/zinc/45/02/82/569450282.db2.gz QZEMOVAVHUFLJR-UHFFFAOYSA-N 0 0 433.942 5.236 50 30 IKEARN N#CCSc1ccccc1NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000003533902 569453484 /nfs/dbraw/zinc/45/34/84/569453484.db2.gz SUUMXHOOCHEJGY-UHFFFAOYSA-N 0 0 431.542 5.596 50 30 IKEARN CCCCCCCc1ccc(-c2noc(-c3c(C)onc3-c3ccccc3Cl)n2)cc1 ZINC000003584693 569454451 /nfs/dbraw/zinc/45/44/51/569454451.db2.gz SMIGWRDFGLUSGL-UHFFFAOYSA-N 0 0 435.955 7.533 50 30 IKEARN CC(C)(C)c1cc(Sc2c(Cl)c(Cl)nc(C#N)c2Cl)cc(C(C)(C)C)c1O ZINC000003771002 569456445 /nfs/dbraw/zinc/45/64/45/569456445.db2.gz RSEHBHCBBAOBOB-UHFFFAOYSA-N 0 0 443.827 7.365 50 30 IKEARN CCCCCN(CCCCC)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004016168 569458171 /nfs/dbraw/zinc/45/81/71/569458171.db2.gz LSIDPRICDYDZJC-HKOYGPOVSA-N 0 0 441.532 6.136 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000004074963 569458666 /nfs/dbraw/zinc/45/86/66/569458666.db2.gz NSTOXWAGNZTKNY-AFMDSPMNSA-N 0 0 427.479 5.141 50 30 IKEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000218606102 569458749 /nfs/dbraw/zinc/45/87/49/569458749.db2.gz NRYXEJASFVQXCP-HXUWFJFHSA-N 0 0 444.535 5.020 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000004089324 569458796 /nfs/dbraw/zinc/45/87/96/569458796.db2.gz PTORMSCEGKEQOG-SLJQUXCSSA-N 0 0 443.597 5.903 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\Cc2ccccc2)N(C2CCCCC2)C1=O ZINC000004108360 569459133 /nfs/dbraw/zinc/45/91/33/569459133.db2.gz VQFJVUYSBOEGII-QDJRPKQISA-N 0 0 435.618 5.862 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\Cc2ccccc2)N(c2ccc(O)cc2)C1=O ZINC000004109157 569459149 /nfs/dbraw/zinc/45/91/49/569459149.db2.gz YCTLPJOYWKAKGX-QDJRPKQISA-N 0 0 445.569 5.439 50 30 IKEARN CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004136667 569460290 /nfs/dbraw/zinc/46/02/90/569460290.db2.gz NNQNRYRVBVWMBP-BYEYKRMRSA-N 0 0 427.577 5.272 50 30 IKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004150329 569460498 /nfs/dbraw/zinc/46/04/98/569460498.db2.gz KNCPPOGHVALJQT-GOSISDBHSA-N 0 0 427.570 5.010 50 30 IKEARN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=S)Nc1ccccc1 ZINC000004179947 569460702 /nfs/dbraw/zinc/46/07/02/569460702.db2.gz YVOJZXNZYHUZQJ-YDZHTSKRSA-N 0 0 427.574 5.034 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)c1 ZINC000004212718 569461021 /nfs/dbraw/zinc/46/10/21/569461021.db2.gz CDSXDISTSAHLGR-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[NH+]1CCC(C)CC1 ZINC000004311474 569461967 /nfs/dbraw/zinc/46/19/67/569461967.db2.gz ZGHHYFNDDMTZKI-LPWJOBEDSA-N 0 0 441.656 6.396 50 30 IKEARN CCOc1ccc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437628 569462131 /nfs/dbraw/zinc/46/21/31/569462131.db2.gz VPKDATREAJAAQO-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN COc1ccccc1NC(=NC(=O)c1ccc(C)c(F)c1)NCCc1c[nH]c2ccccc12 ZINC000066437713 569462160 /nfs/dbraw/zinc/46/21/60/569462160.db2.gz JNZRIAJXMYQVGY-UHFFFAOYSA-N 0 0 444.510 5.065 50 30 IKEARN CCOc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437649 569462175 /nfs/dbraw/zinc/46/21/75/569462175.db2.gz CWYCPWTYJIDKGG-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1 ZINC000066437683 569462210 /nfs/dbraw/zinc/46/22/10/569462210.db2.gz YUEGGYKFJSDUPG-UHFFFAOYSA-N 0 0 444.510 5.146 50 30 IKEARN O=C(/C=C\c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000008383739 569462694 /nfs/dbraw/zinc/46/26/94/569462694.db2.gz KISDMIYGCXSOEN-NVNXTCNLSA-N 0 0 443.318 5.113 50 30 IKEARN CCC[C@@H](C#N)C(NC(=O)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1 ZINC000008431185 569464246 /nfs/dbraw/zinc/46/42/46/569464246.db2.gz COUWWYKITBTFJN-QFIPXVFZSA-N 0 0 447.376 6.063 50 30 IKEARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1C ZINC000008708144 569470681 /nfs/dbraw/zinc/47/06/81/569470681.db2.gz HIGJPRACMMWXIZ-UHFFFAOYSA-N 0 0 433.533 5.215 50 30 IKEARN C[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N ZINC000008710564 569470912 /nfs/dbraw/zinc/47/09/12/569470912.db2.gz WWYDROZIJODPRT-OAHLLOKOSA-N 0 0 436.309 5.552 50 30 IKEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)CCCC3 ZINC000008711339 569471011 /nfs/dbraw/zinc/47/10/11/569471011.db2.gz FPDDNVARDUICGI-KIBLKLHPSA-N 0 0 444.343 5.786 50 30 IKEARN COc1ccc(C=NNc2nc3ccccc3s2)cc1Oc1nc(Cl)ncc1F ZINC000008722658 569471836 /nfs/dbraw/zinc/47/18/36/569471836.db2.gz AABHRPMQKJQQEB-NUGSKGIGSA-N 0 0 429.864 5.126 50 30 IKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(F)cc2)[C@@H]3c2ccccc2)cc1 ZINC000008733569 569472509 /nfs/dbraw/zinc/47/25/09/569472509.db2.gz DBZUMVUNZTXCPW-HPFVHPJRSA-N 0 0 436.482 7.038 50 30 IKEARN C=CCSc1ncc(/C=N/OCc2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000008733710 569472555 /nfs/dbraw/zinc/47/25/55/569472555.db2.gz PYYDIBNVJCTOPL-DHRITJCHSA-N 0 0 432.376 6.067 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008741058 569472935 /nfs/dbraw/zinc/47/29/35/569472935.db2.gz WJEPMNBLTRWJAB-NRFANRHFSA-N 0 0 444.512 5.543 50 30 IKEARN C=CCNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N ZINC000008762242 569474270 /nfs/dbraw/zinc/47/42/70/569474270.db2.gz VAWCFYAVYSGKIH-UHFFFAOYSA-N 0 0 427.360 6.212 50 30 IKEARN COc1cccc(-c2c(C#N)c(SCc3cccs3)nc3c2C[C@H](C(C)(C)C)CC3)c1 ZINC000008781201 569475632 /nfs/dbraw/zinc/47/56/32/569475632.db2.gz ZTOMHXIHDYCCPG-GOSISDBHSA-N 0 0 448.657 7.134 50 30 IKEARN CC(=O)[C@@H](/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008781450 569475638 /nfs/dbraw/zinc/47/56/38/569475638.db2.gz TXCHEWSILUXDLK-VKKHMPROSA-N 0 0 448.133 5.647 50 30 IKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c(C)c1 ZINC000008781002 569475667 /nfs/dbraw/zinc/47/56/67/569475667.db2.gz IWXOANAZMTURTK-CIAFOILYSA-N 0 0 433.489 5.672 50 30 IKEARN Cc1ccccc1-c1nc(SCc2ccc(Cl)cc2Cl)c(C#N)c2c1CCC2 ZINC000008781831 569475714 /nfs/dbraw/zinc/47/57/14/569475714.db2.gz BMTBKIQTHNZKRB-UHFFFAOYSA-N 0 0 425.384 7.017 50 30 IKEARN Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)cc2Cl)cc1 ZINC000008781898 569475715 /nfs/dbraw/zinc/47/57/15/569475715.db2.gz IYJUREOCRKGNQL-AUEPDCJTSA-N 0 0 436.751 6.574 50 30 IKEARN Fc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1 ZINC000008782143 569475773 /nfs/dbraw/zinc/47/57/73/569475773.db2.gz RHRDSKFSTDBEMA-LGJNPRDNSA-N 0 0 439.943 6.285 50 30 IKEARN N#Cc1c2c(c(-c3ccccc3)nc1Sc1ncc(C(F)(F)F)cc1Cl)CCC2 ZINC000008782275 569475832 /nfs/dbraw/zinc/47/58/32/569475832.db2.gz XEZSEJXFXCJRHC-UHFFFAOYSA-N 0 0 431.870 6.327 50 30 IKEARN C=CCNC(=S)N=NCc1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 ZINC000008798169 569476404 /nfs/dbraw/zinc/47/64/04/569476404.db2.gz BDKXCPUGBGLTEF-WYMPLXKRSA-N 0 0 438.380 5.366 50 30 IKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2 ZINC000008809609 569476509 /nfs/dbraw/zinc/47/65/09/569476509.db2.gz XDJIPEQCEZPUCS-UHFFFAOYSA-N 0 0 448.975 5.988 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3cc(F)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000008809664 569476510 /nfs/dbraw/zinc/47/65/10/569476510.db2.gz XWOXPOUXBUXFEU-SDHSZQHLSA-N 0 0 437.449 5.249 50 30 IKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccccc2Cl)c1C#N ZINC000008809738 569476519 /nfs/dbraw/zinc/47/65/19/569476519.db2.gz QIGYMGQSSIDDJI-UHFFFAOYSA-N 0 0 442.971 7.242 50 30 IKEARN COc1cccc(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)c1 ZINC000008809737 569476534 /nfs/dbraw/zinc/47/65/34/569476534.db2.gz ZBWSOZNGDDVKHX-UHFFFAOYSA-N 0 0 449.000 7.303 50 30 IKEARN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000008809748 569476556 /nfs/dbraw/zinc/47/65/56/569476556.db2.gz KSBOFSXCICFQQR-KKMLCIJBSA-N 0 0 427.504 7.014 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccccc1 ZINC000008817534 569476944 /nfs/dbraw/zinc/47/69/44/569476944.db2.gz MFMWGLPWFDZYFX-FQEVSTJZSA-N 0 0 430.460 5.218 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)o1 ZINC000008817537 569476962 /nfs/dbraw/zinc/47/69/62/569476962.db2.gz HBQGFLGBTVZPQP-NRFANRHFSA-N 0 0 444.512 5.597 50 30 IKEARN Cc1ccc(C)c(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc32)c1 ZINC000008818464 569477028 /nfs/dbraw/zinc/47/70/28/569477028.db2.gz RSZGNIQCBYVQFY-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc(/N=N/c4ccccc4)cc3)o1)CCCC2 ZINC000008826552 569477558 /nfs/dbraw/zinc/47/75/58/569477558.db2.gz DZGXQTANPNRZJP-UMJYARSTSA-N 0 0 436.540 7.925 50 30 IKEARN CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2C=Nc2nc[nH]n2)cc1 ZINC000008842882 569478447 /nfs/dbraw/zinc/47/84/47/569478447.db2.gz QFWNIMNQASCRKV-LJGKHRNASA-N 0 0 443.345 5.289 50 30 IKEARN COc1ccc(NC(=O)CCSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)cc1 ZINC000008843589 569478471 /nfs/dbraw/zinc/47/84/71/569478471.db2.gz MKLDEFJMCJRJMB-UHFFFAOYSA-N 0 0 437.487 5.399 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)Nc1nccs1 ZINC000008843596 569478483 /nfs/dbraw/zinc/47/84/83/569478483.db2.gz ZRWKZNNATQDFBK-UHFFFAOYSA-N 0 0 434.468 5.216 50 30 IKEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)o1 ZINC000008844559 569478576 /nfs/dbraw/zinc/47/85/76/569478576.db2.gz UTWTXJMCJFFQHV-UHFFFAOYSA-N 0 0 429.432 5.035 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cc(Cl)ccc3O)cc2)cc1 ZINC000008844389 569478585 /nfs/dbraw/zinc/47/85/85/569478585.db2.gz WUFMTJSBUSOEBA-WUXMJOGZSA-N 0 0 427.909 5.051 50 30 IKEARN O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1 ZINC000008853792 569479641 /nfs/dbraw/zinc/47/96/41/569479641.db2.gz DEXHNMVTDNITDK-IOXBOXJCSA-N 0 0 447.266 5.876 50 30 IKEARN Cc1ccn2c(/C=N/OCc3cccc(C(F)(F)F)c3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000008855356 569479657 /nfs/dbraw/zinc/47/96/57/569479657.db2.gz BKQBBQYUKFZLBF-XODNFHPESA-N 0 0 443.856 6.533 50 30 IKEARN N#Cc1c(SCc2ccccc2Cl)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000008857535 569479854 /nfs/dbraw/zinc/47/98/54/569479854.db2.gz DWKPEUHDGFEPDC-UHFFFAOYSA-N 0 0 436.964 7.434 50 30 IKEARN C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000008869471 569480437 /nfs/dbraw/zinc/48/04/37/569480437.db2.gz SLFKMUZAMXAILW-QHCPKHFHSA-N 0 0 427.456 5.005 50 30 IKEARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1 ZINC000008869690 569480509 /nfs/dbraw/zinc/48/05/09/569480509.db2.gz XZVFPPHQPOQPAP-XOFWUJAUSA-N 0 0 447.535 5.029 50 30 IKEARN CC[C@H](C)c1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008874992 569481062 /nfs/dbraw/zinc/48/10/62/569481062.db2.gz ZEOQAZHMZKHYCM-RUTRRBQKSA-N 0 0 447.535 6.402 50 30 IKEARN COc1ccc(CCNc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1 ZINC000039404131 569481546 /nfs/dbraw/zinc/48/15/46/569481546.db2.gz YKSUXZXPXFAEHV-UHFFFAOYSA-N 0 0 429.476 5.357 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1 ZINC000008900546 569484096 /nfs/dbraw/zinc/48/40/96/569484096.db2.gz AEKSMWQYSWQZJG-UHFFFAOYSA-N 0 0 442.569 5.473 50 30 IKEARN COc1cc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(C)c2)cc(OC)c1 ZINC000008913006 569485167 /nfs/dbraw/zinc/48/51/67/569485167.db2.gz WCSSZLMRFCIOKE-UHFFFAOYSA-N 0 0 448.548 5.337 50 30 IKEARN C=CCN(C(=O)Cn1c2cnccc2nc1SCc1ccc(F)cc1)c1ccccc1 ZINC000008913079 569485187 /nfs/dbraw/zinc/48/51/87/569485187.db2.gz RTKRXRHBSLSALX-UHFFFAOYSA-N 0 0 432.524 5.082 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C(\C(=O)c1ccc(C)cc1)c1nc2ccccc2o1 ZINC000008915580 569485569 /nfs/dbraw/zinc/48/55/69/569485569.db2.gz ATVSEIKSHPXOSM-CPNJWEJPSA-N 0 0 429.472 5.586 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 ZINC000008915583 569485576 /nfs/dbraw/zinc/48/55/76/569485576.db2.gz GZDPBPIDRXYYQE-OQKWZONESA-N 0 0 442.471 6.338 50 30 IKEARN Cc1ccc(NC(=S)N/N=C/c2cn(CCCOc3ccccc3)c3ccccc23)cc1 ZINC000008916873 569485857 /nfs/dbraw/zinc/48/58/57/569485857.db2.gz PGQYILAPUPAZOQ-OVVQPSECSA-N 0 0 442.588 5.739 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cc(C)ccc3C)ccc2C1=O ZINC000008917836 569486095 /nfs/dbraw/zinc/48/60/95/569486095.db2.gz VTCLAYRVPPCBBN-ZRGSRPPYSA-N 0 0 446.499 5.524 50 30 biogenic IKEARN CN1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000008923789 569487076 /nfs/dbraw/zinc/48/70/76/569487076.db2.gz ARPAFDSZYQMWJD-BRJLIKDPSA-N 0 0 444.387 6.046 50 30 IKEARN C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1 ZINC000008927527 569487303 /nfs/dbraw/zinc/48/73/03/569487303.db2.gz WLRGDZXANHXURB-OGLMXYFKSA-N 0 0 441.512 5.926 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc21 ZINC000008926858 569487310 /nfs/dbraw/zinc/48/73/10/569487310.db2.gz IBBMSKMQHGJUTR-QFIPXVFZSA-N 0 0 435.907 5.108 50 30 IKEARN C=CCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000008934122 569487888 /nfs/dbraw/zinc/48/78/88/569487888.db2.gz FWFBMORQGDLJPJ-SFHVURJKSA-N 0 0 449.338 5.449 50 30 IKEARN C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nc2sc(C)c(C)c2c1=O ZINC000008944320 569488902 /nfs/dbraw/zinc/48/89/02/569488902.db2.gz VWSRGZRCAOMKMN-UHFFFAOYSA-N 0 0 444.969 5.257 50 30 IKEARN CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000008951398 569489846 /nfs/dbraw/zinc/48/98/46/569489846.db2.gz UNEWJJCUZQOVOH-LEBHLANCSA-N 0 0 441.003 5.097 50 30 IKEARN Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008951403 569489851 /nfs/dbraw/zinc/48/98/51/569489851.db2.gz QLQURPUFSUZIKX-ORWNMUSCSA-N 0 0 449.001 5.344 50 30 IKEARN CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c21)CC(C)(C)OC3 ZINC000008951504 569489906 /nfs/dbraw/zinc/48/99/06/569489906.db2.gz JXFOTWYEALWKAC-AFUMVMLFSA-N 0 0 438.549 5.688 50 30 IKEARN Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008951404 569489910 /nfs/dbraw/zinc/48/99/10/569489910.db2.gz QLQURPUFSUZIKX-QQZPLFJDSA-N 0 0 449.001 5.344 50 30 IKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)c1cc2ccccc2oc1=O ZINC000008952095 569490008 /nfs/dbraw/zinc/49/00/08/569490008.db2.gz DSVSOYJJQDLSFF-UHFFFAOYSA-N 0 0 432.888 5.355 50 30 IKEARN CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@@H]1c1ccc(F)cc1 ZINC000008965003 569491231 /nfs/dbraw/zinc/49/12/31/569491231.db2.gz BTMOUTKVMTXKRI-GOSISDBHSA-N 0 0 440.927 5.774 50 30 IKEARN CCCCOc1cccc(NC(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)c1 ZINC000008964943 569491300 /nfs/dbraw/zinc/49/13/00/569491300.db2.gz KZORTAUQZNCWBR-UHFFFAOYSA-N 0 0 432.549 5.233 50 30 IKEARN COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[C@H](C(C)(C)C)CC3)c1 ZINC000008965036 569491342 /nfs/dbraw/zinc/49/13/42/569491342.db2.gz KAXHYVZWVXAUCZ-GOSISDBHSA-N 0 0 448.657 7.134 50 30 IKEARN CCN(CC)c1ccc(N/N=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000008965447 569491452 /nfs/dbraw/zinc/49/14/52/569491452.db2.gz RMWZSBQMRHAPTC-RRAHZORUSA-N 0 0 443.532 5.102 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CSc1nn(-c3ccccc3)c(=S)s1)CCCC2 ZINC000008982000 569494497 /nfs/dbraw/zinc/49/44/97/569494497.db2.gz JZWLVUYIVRTNIF-UHFFFAOYSA-N 0 0 444.632 5.206 50 30 IKEARN N#Cc1c(/N=C/N2CCOCC2)n(Cc2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000008984096 569494715 /nfs/dbraw/zinc/49/47/15/569494715.db2.gz JCQBVOJAZNDGLZ-DFKUXCBWSA-N 0 0 446.554 5.734 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl ZINC000008986404 569494820 /nfs/dbraw/zinc/49/48/20/569494820.db2.gz VQYYGXZPSUHTPV-DEOSSOPVSA-N 0 0 443.374 6.691 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2ccccc21 ZINC000008992127 569495292 /nfs/dbraw/zinc/49/52/92/569495292.db2.gz VLDBJTIDQPKCOH-AFUMVMLFSA-N 0 0 427.475 6.304 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(C(F)(F)F)c2C1 ZINC000008992206 569495293 /nfs/dbraw/zinc/49/52/93/569495293.db2.gz PPYSDCPHSOLLIL-AWEZNQCLSA-N 0 0 438.946 7.069 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3C#N)n2)cc1 ZINC000008991672 569495336 /nfs/dbraw/zinc/49/53/36/569495336.db2.gz IBZPCAJQLMHHDK-UHFFFAOYSA-N 0 0 425.435 5.812 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C1=O)cn2C ZINC000008993368 569495456 /nfs/dbraw/zinc/49/54/56/569495456.db2.gz IFUWCPPNCLLQCD-BRJLIKDPSA-N 0 0 439.467 5.331 50 30 IKEARN O=C(Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000008995327 569495626 /nfs/dbraw/zinc/49/56/26/569495626.db2.gz DJXRKRPJYJIITR-AFUMVMLFSA-N 0 0 447.834 5.873 50 30 IKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008996268 569495821 /nfs/dbraw/zinc/49/58/21/569495821.db2.gz DXCFOPCZNVXJEO-QHCPKHFHSA-N 0 0 442.515 5.171 50 30 IKEARN Clc1ccc(-c2[nH]c(-c3cccc(C#Cc4ccccc4)c3)nc2-c2ccccc2)cc1 ZINC000008996963 569495868 /nfs/dbraw/zinc/49/58/68/569495868.db2.gz YJGDKEUHTZMXGH-UHFFFAOYSA-N 0 0 430.938 7.464 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C ZINC000009008750 569496394 /nfs/dbraw/zinc/49/63/94/569496394.db2.gz XTXKQCXRYHKGAZ-IBGZPJMESA-N 0 0 438.936 5.505 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000009019811 569496889 /nfs/dbraw/zinc/49/68/89/569496889.db2.gz CELIVHCDEHZDQM-UIAIJNLVSA-N 0 0 431.561 5.483 50 30 IKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCC2 ZINC000009034249 569497264 /nfs/dbraw/zinc/49/72/64/569497264.db2.gz QPNJNFARZCHREM-UHFFFAOYSA-N 0 0 434.948 5.598 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21)c1ccc(Cl)cc1 ZINC000009034206 569497284 /nfs/dbraw/zinc/49/72/84/569497284.db2.gz NDPSVOLUTWUQOG-XODNFHPESA-N 0 0 441.749 7.093 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 ZINC000009041812 569497589 /nfs/dbraw/zinc/49/75/89/569497589.db2.gz JSFKICSOFRAUDZ-IBGZPJMESA-N 0 0 432.526 5.449 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009043461 569497805 /nfs/dbraw/zinc/49/78/05/569497805.db2.gz WVONAXLVMLGYRK-NRFANRHFSA-N 0 0 448.544 5.250 50 30 IKEARN COc1ccccc1/C=C/C=C(/C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 ZINC000009051004 569498702 /nfs/dbraw/zinc/49/87/02/569498702.db2.gz YQEMXUADESEJHZ-UXZDSFPZSA-N 0 0 441.483 5.833 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(F)cc1)OCCCO4 ZINC000009058674 569499279 /nfs/dbraw/zinc/49/92/79/569499279.db2.gz NVTWLRKJNSNUFL-NRFANRHFSA-N 0 0 445.534 5.627 50 30 IKEARN CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(OC)cc2OC)c2c(C)oc(C)c21 ZINC000009065000 569499602 /nfs/dbraw/zinc/49/96/02/569499602.db2.gz OCVLRMFLQLGZQC-UHFFFAOYSA-N 0 0 445.515 5.749 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000009086066 569500581 /nfs/dbraw/zinc/50/05/81/569500581.db2.gz KRMWPKMMWHBYRD-SFHVURJKSA-N 0 0 448.744 5.481 50 30 IKEARN N#Cc1c(OCC(=O)c2ccc(Br)cc2)nc2c(c1-c1ccccc1)CCCC2 ZINC000009086539 569500661 /nfs/dbraw/zinc/50/06/61/569500661.db2.gz FDAYTGFJCMZTCP-UHFFFAOYSA-N 0 0 447.332 5.523 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000245241332 569500709 /nfs/dbraw/zinc/50/07/09/569500709.db2.gz ANTLLZHQDMIOLB-WOTIJCTKSA-N 0 0 447.446 6.959 50 30 biogenic IKEARN N#Cc1cc([N+](=O)[O-])ccc1NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000009086883 569500765 /nfs/dbraw/zinc/50/07/65/569500765.db2.gz LFLIWQIINFKGBN-UHFFFAOYSA-N 0 0 429.372 6.184 50 30 IKEARN C[C@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000009125600 569504687 /nfs/dbraw/zinc/50/46/87/569504687.db2.gz DRMHMHGWBDFNDR-QGZVFWFLSA-N 0 0 438.000 5.632 50 30 IKEARN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009152920 569507922 /nfs/dbraw/zinc/50/79/22/569507922.db2.gz IWUJMPKWRQTWMZ-NRFANRHFSA-N 0 0 429.520 5.295 50 30 IKEARN COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009152912 569507927 /nfs/dbraw/zinc/50/79/27/569507927.db2.gz WJTMMYBVMOFQPO-NRFANRHFSA-N 0 0 429.520 5.295 50 30 IKEARN C[C@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1sccc1C#N ZINC000009156002 569508277 /nfs/dbraw/zinc/50/82/77/569508277.db2.gz IVLRFJOLVJKSBI-INIZCTEOSA-N 0 0 432.574 5.331 50 30 IKEARN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000009177717 569509673 /nfs/dbraw/zinc/50/96/73/569509673.db2.gz KQQBUTFVBPHWHZ-JOCHJYFZSA-N 0 0 446.890 5.081 50 30 IKEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2CCCSc3ccccc32)c1C#N ZINC000009204866 569511358 /nfs/dbraw/zinc/51/13/58/569511358.db2.gz UGKMXHDIMAHVJK-UHFFFAOYSA-N 0 0 436.606 5.027 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009234041 569513893 /nfs/dbraw/zinc/51/38/93/569513893.db2.gz TUOYNQGJFHENKH-LJQANCHMSA-N 0 0 438.574 5.728 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000009237373 569514228 /nfs/dbraw/zinc/51/42/28/569514228.db2.gz FELDPBAPVBFUGX-JOCHJYFZSA-N 0 0 440.524 5.696 50 30 IKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009243279 569514864 /nfs/dbraw/zinc/51/48/64/569514864.db2.gz XKQKLJWHSKBKCX-HSZRJFAPSA-N 0 0 446.503 5.335 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000009272883 569517985 /nfs/dbraw/zinc/51/79/85/569517985.db2.gz YBKMOOLMLHACHQ-JOCHJYFZSA-N 0 0 432.907 5.189 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000009272884 569518042 /nfs/dbraw/zinc/51/80/42/569518042.db2.gz YBKMOOLMLHACHQ-QFIPXVFZSA-N 0 0 432.907 5.189 50 30 IKEARN COc1ccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c43)c(=O)[nH]c2c1 ZINC000009290825 569519756 /nfs/dbraw/zinc/51/97/56/569519756.db2.gz LSIUAXAWVZWLGJ-KBKYJPHKSA-N 0 0 427.489 5.067 50 30 IKEARN COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1 ZINC000009296702 569520499 /nfs/dbraw/zinc/52/04/99/569520499.db2.gz MHQVCTXHXIKVRG-XDHOZWIPSA-N 0 0 438.892 5.278 50 30 IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc32)s1 ZINC000009301876 569520802 /nfs/dbraw/zinc/52/08/02/569520802.db2.gz ZTEXITHKHWRTMF-OAQYLSRUSA-N 0 0 441.512 5.091 50 30 IKEARN CCc1ccccc1/N=C1/S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C ZINC000009305399 569521246 /nfs/dbraw/zinc/52/12/46/569521246.db2.gz FPTGZPMOTJGPMO-ASAQIREPSA-N 0 0 447.516 5.959 50 30 IKEARN CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2Cl)cc1 ZINC000009307543 569521410 /nfs/dbraw/zinc/52/14/10/569521410.db2.gz TUFPCBPLXUEIEL-UHFFFAOYSA-N 0 0 446.963 6.150 50 30 IKEARN CCCc1cc(SCC(=O)Nc2cccc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000009308101 569521442 /nfs/dbraw/zinc/52/14/42/569521442.db2.gz WQUHKYWGWYMDOT-UHFFFAOYSA-N 0 0 434.952 5.696 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccc1Cl ZINC000009307972 569521484 /nfs/dbraw/zinc/52/14/84/569521484.db2.gz NESUIOAPIDIPJC-UHFFFAOYSA-N 0 0 426.973 5.386 50 30 IKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCc2ccccc2)cc1 ZINC000009308489 569521541 /nfs/dbraw/zinc/52/15/41/569521541.db2.gz IUGTYIHTRXNSQC-UHFFFAOYSA-N 0 0 430.555 6.221 50 30 IKEARN C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000009310026 569521731 /nfs/dbraw/zinc/52/17/31/569521731.db2.gz SDKUGTDDYYBFSW-AZGAKELHSA-N 0 0 446.934 6.156 50 30 IKEARN COc1ccc(C=NNc2nc3ccccc3s2)cc1OCc1c(F)cccc1Cl ZINC000009310459 569521765 /nfs/dbraw/zinc/52/17/65/569521765.db2.gz KOEJQVOJPMBGKZ-BRJLIKDPSA-N 0 0 441.915 6.122 50 30 IKEARN COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000009312246 569521880 /nfs/dbraw/zinc/52/18/80/569521880.db2.gz YEMALLOEYDMFDR-HSZRJFAPSA-N 0 0 436.552 5.551 50 30 IKEARN COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000009313188 569521914 /nfs/dbraw/zinc/52/19/14/569521914.db2.gz YEMALLOEYDMFDR-QHCPKHFHSA-N 0 0 436.552 5.551 50 30 IKEARN CC1(C)C[C@@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2c1ccc(Br)cc1 ZINC000009312808 569521953 /nfs/dbraw/zinc/52/19/53/569521953.db2.gz LGNBPKGJXMXFNJ-NRFANRHFSA-N 0 0 444.398 5.202 50 30 IKEARN COc1ccc(NC(=O)c2ccc(N=NC(C)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000009332412 569523103 /nfs/dbraw/zinc/52/31/03/569523103.db2.gz MJRYJKTYOLZRAM-AFUMVMLFSA-N 0 0 438.871 5.345 50 30 IKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000009341263 569523898 /nfs/dbraw/zinc/52/38/98/569523898.db2.gz UYEUAWPQWZIVAR-UHFFFAOYSA-N 0 0 448.297 6.098 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000009348667 569524533 /nfs/dbraw/zinc/52/45/33/569524533.db2.gz KWPKGDWTQNXEAG-BCHBDCPOSA-N 0 0 425.241 6.305 50 30 IKEARN N#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccc(F)cc4)cc3)[nH]2)cc1 ZINC000009354933 569525149 /nfs/dbraw/zinc/52/51/49/569525149.db2.gz ULSOAIKMJVGHAH-UHFFFAOYSA-N 0 0 443.481 6.652 50 30 IKEARN CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@]2(C(C)(C)C)C1=O ZINC000009357875 569525585 /nfs/dbraw/zinc/52/55/85/569525585.db2.gz AVACOHUQWPOENZ-YBAFNYOBSA-N 0 0 440.591 6.302 50 30 IKEARN CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@@]2(C(C)(C)C)C1=O ZINC000009357877 569525648 /nfs/dbraw/zinc/52/56/48/569525648.db2.gz AVACOHUQWPOENZ-ZBOUVJLGSA-N 0 0 440.591 6.302 50 30 IKEARN N#Cc1c2c(c(Nc3cc(Cl)c(Cl)cc3Cl)n3c4ccccc4nc13)CCC2 ZINC000009360482 569525779 /nfs/dbraw/zinc/52/57/79/569525779.db2.gz MZWOLAIISKVEMF-UHFFFAOYSA-N 0 0 427.722 6.552 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl ZINC000009370730 569526793 /nfs/dbraw/zinc/52/67/93/569526793.db2.gz WLSWQWVNLFYOOH-NRFANRHFSA-N 0 0 438.310 6.085 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000009370809 569526796 /nfs/dbraw/zinc/52/67/96/569526796.db2.gz LREHHTWOUITJQE-OAQYLSRUSA-N 0 0 448.862 5.340 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009370736 569526869 /nfs/dbraw/zinc/52/68/69/569526869.db2.gz XXNYPZYFQKYNGI-JELBAWGMSA-N 0 0 440.455 5.086 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O ZINC000009379899 569527752 /nfs/dbraw/zinc/52/77/52/569527752.db2.gz XUIROGDAGSHYTR-MNWLEOAJSA-N 0 0 439.581 5.037 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1 ZINC000009379981 569527783 /nfs/dbraw/zinc/52/77/83/569527783.db2.gz GCEVMCSEUDKBBE-HKWRFOASSA-N 0 0 445.540 6.136 50 30 IKEARN O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 ZINC000009379757 569527819 /nfs/dbraw/zinc/52/78/19/569527819.db2.gz HZYBHUSUBXHFHT-NSFRLNINSA-N 0 0 449.428 5.888 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009380392 569527898 /nfs/dbraw/zinc/52/78/98/569527898.db2.gz SNKHLBGAXQLCIW-JOCHJYFZSA-N 0 0 432.907 5.189 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009385633 569528446 /nfs/dbraw/zinc/52/84/46/569528446.db2.gz UPVBIHAEZRFNQU-UHFFFAOYSA-N 0 0 433.515 5.462 50 30 IKEARN Cc1c(C#N)c(NC(=O)Cc2cccc3ccccc32)sc1Cc1ccc2c(c1)OCO2 ZINC000009390677 569528681 /nfs/dbraw/zinc/52/86/81/569528681.db2.gz ATULNHIVIJZSIP-UHFFFAOYSA-N 0 0 440.524 5.582 50 30 IKEARN Cc1c(C#N)c(NC(=O)c2cccc3ccccc32)sc1Cc1ccc2c(c1)OCO2 ZINC000009390675 569528725 /nfs/dbraw/zinc/52/87/25/569528725.db2.gz XOUZKYYFRKODRK-UHFFFAOYSA-N 0 0 426.497 5.653 50 30 IKEARN Cc1c(C#N)c(NC(=O)CCSc2ccccc2)sc1Cc1ccc2c(c1)OCO2 ZINC000009390688 569528773 /nfs/dbraw/zinc/52/87/73/569528773.db2.gz SCZXSRKYVXDDPV-UHFFFAOYSA-N 0 0 436.558 5.369 50 30 IKEARN N#Cc1c(SCc2cccc3ccccc32)nc(-c2cccs2)cc1C(F)(F)F ZINC000009418513 569532460 /nfs/dbraw/zinc/53/24/60/569532460.db2.gz OOZGBWZBGQQILF-UHFFFAOYSA-N 0 0 426.488 7.146 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c2cc(OC)ccc21 ZINC000009421000 569532708 /nfs/dbraw/zinc/53/27/08/569532708.db2.gz QTMITFRAHAIIGD-WSDLNYQXSA-N 0 0 433.504 5.546 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C1=O)cn2C ZINC000009422045 569532850 /nfs/dbraw/zinc/53/28/50/569532850.db2.gz ZFISQKDUXOBPSZ-ZMOGYAJESA-N 0 0 445.515 5.597 50 30 IKEARN COc1ccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)cc1 ZINC000009422874 569532886 /nfs/dbraw/zinc/53/28/86/569532886.db2.gz PSQSOJLGCKRUFN-UHFFFAOYSA-N 0 0 449.498 5.370 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c2ccccc21 ZINC000009422826 569532903 /nfs/dbraw/zinc/53/29/03/569532903.db2.gz GHHYLIPCYGXOQC-ZVHZXABRSA-N 0 0 441.458 5.944 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C1=O)cn2C ZINC000009422529 569532921 /nfs/dbraw/zinc/53/29/21/569532921.db2.gz CDPUQQUCSWXIIK-BHGWPJFGSA-N 0 0 443.430 5.161 50 30 IKEARN Cc1c2c(ccc1OC(=O)c1ccc(F)cc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009423562 569532928 /nfs/dbraw/zinc/53/29/28/569532928.db2.gz XCNZOZVRYVMGQD-YDZHTSKRSA-N 0 0 427.431 5.461 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000009423048 569532966 /nfs/dbraw/zinc/53/29/66/569532966.db2.gz XAFSHQILHXJWIC-CQSZACIVSA-N 0 0 438.946 7.069 50 30 IKEARN Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 ZINC000009423602 569532970 /nfs/dbraw/zinc/53/29/70/569532970.db2.gz CTEWFGVGVMEDSK-FSJBWODESA-N 0 0 429.859 5.667 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCc3ccccc3)n2)cc1OC ZINC000009423268 569532974 /nfs/dbraw/zinc/53/29/74/569532974.db2.gz ICWIDLVQPCPJGA-UHFFFAOYSA-N 0 0 444.478 5.991 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c2ccccc21 ZINC000009423622 569533017 /nfs/dbraw/zinc/53/30/17/569533017.db2.gz VTWNAFPHVFGPMF-VWVVIRKJSA-N 0 0 435.523 6.678 50 30 IKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424260 569533098 /nfs/dbraw/zinc/53/30/98/569533098.db2.gz UUMOJUBWCNJEIZ-RCDICMHDSA-N 0 0 449.890 5.035 50 30 IKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424261 569533102 /nfs/dbraw/zinc/53/31/02/569533102.db2.gz UUMOJUBWCNJEIZ-PEBXRYMYSA-N 0 0 449.890 5.035 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S ZINC000009425742 569533242 /nfs/dbraw/zinc/53/32/42/569533242.db2.gz FPKPCJGNHOORCE-HKWRFOASSA-N 0 0 445.993 5.575 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc32)c(OC)c1 ZINC000009428587 569533566 /nfs/dbraw/zinc/53/35/66/569533566.db2.gz BZOVXRBOVHBUTF-JVWAILMASA-N 0 0 442.519 5.547 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(F)c3)sc2C1 ZINC000009434399 569534679 /nfs/dbraw/zinc/53/46/79/569534679.db2.gz GOLHMTYNORBMKP-CQSZACIVSA-N 0 0 429.586 5.427 50 30 IKEARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1OC ZINC000009433998 569534725 /nfs/dbraw/zinc/53/47/25/569534725.db2.gz SMDOXOQBDZXXEU-RUZDIDTESA-N 0 0 431.513 5.579 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000009454079 569536660 /nfs/dbraw/zinc/53/66/60/569536660.db2.gz ZNHQUHCKIGMDLT-HSZRJFAPSA-N 0 0 446.503 5.117 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1c3ccccc3cc3ccccc31)C1=C(CC(C)(C)CC1=O)N2 ZINC000009462461 569537326 /nfs/dbraw/zinc/53/73/26/569537326.db2.gz XOJYKUMIUPRRGA-SSEXGKCCSA-N 0 0 446.594 7.832 50 30 IKEARN COc1ccc2c(c1)nc(SCC(=O)[C@@H](C#N)c1nc(C)cs1)cc2-c1ccccc1 ZINC000009465039 569537872 /nfs/dbraw/zinc/53/78/72/569537872.db2.gz NYKLDOIUVRAZKW-HXUWFJFHSA-N 0 0 445.569 5.644 50 30 IKEARN CCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009465474 569537964 /nfs/dbraw/zinc/53/79/64/569537964.db2.gz ZKHOKWUADQIYFE-HHHXNRCGSA-N 0 0 448.607 6.713 50 30 IKEARN Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1 ZINC000009476906 569539133 /nfs/dbraw/zinc/53/91/33/569539133.db2.gz XZMSGUMZNPEWPN-YVNNLAQVSA-N 0 0 448.858 5.350 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009482653 569539482 /nfs/dbraw/zinc/53/94/82/569539482.db2.gz YDEVQCXZQIFRED-QKKBWIMNSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009482640 569539498 /nfs/dbraw/zinc/53/94/98/569539498.db2.gz YDEVQCXZQIFRED-SPLOXXLWSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009482648 569539500 /nfs/dbraw/zinc/53/95/00/569539500.db2.gz YDEVQCXZQIFRED-LHSJRXKWSA-N 0 0 441.314 5.954 50 30 IKEARN COc1ccc(/C=C(/C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)c(OC)c1 ZINC000009483953 569539521 /nfs/dbraw/zinc/53/95/21/569539521.db2.gz AYWGLLXWKRHNOW-UYRXBGFRSA-N 0 0 445.471 5.286 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1 ZINC000009488025 569539842 /nfs/dbraw/zinc/53/98/42/569539842.db2.gz ODYMRBPZHOQQTA-RXFWQSSRSA-N 0 0 447.534 5.699 50 30 IKEARN Cc1[nH]c2ccccc2c1C(=O)c1oc2ccccc2c1-c1cc(C#N)c(=O)n(C2CC2)c1 ZINC000009494249 569540858 /nfs/dbraw/zinc/54/08/58/569540858.db2.gz VQKDXVAAOSTPRY-UHFFFAOYSA-N 0 0 433.467 5.489 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccc(OC)c1 ZINC000009498676 569541359 /nfs/dbraw/zinc/54/13/59/569541359.db2.gz RDFBKHBKFXEYQB-UHFFFAOYSA-N 0 0 441.556 5.782 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000009508016 569542196 /nfs/dbraw/zinc/54/21/96/569542196.db2.gz IOSYIHROUVPLMR-UHFFFAOYSA-N 0 0 445.935 5.190 50 30 IKEARN C=CCN(C(=O)CSc1nnc(-c2cccs2)o1)c1nc(-c2ccccc2)cs1 ZINC000009509224 569542533 /nfs/dbraw/zinc/54/25/33/569542533.db2.gz BUDDXGUXBPWESQ-UHFFFAOYSA-N 0 0 440.575 5.233 50 30 IKEARN Cc1cccc(OCCn2cc(/C=N/NC(=S)NCc3ccccc3)c3ccccc32)c1 ZINC000009553942 569546768 /nfs/dbraw/zinc/54/67/68/569546768.db2.gz VOEQSOJKNXJFMI-MTDXEUNCSA-N 0 0 442.588 5.027 50 30 IKEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009562085 569547203 /nfs/dbraw/zinc/54/72/03/569547203.db2.gz UZVXMBNKSRIHPE-UHFFFAOYSA-N 0 0 445.935 5.190 50 30 IKEARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 ZINC000009576835 569548096 /nfs/dbraw/zinc/54/80/96/569548096.db2.gz WIEOBCKVSNPFEZ-MTJSOVHGSA-N 0 0 426.877 5.032 50 30 IKEARN COc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccccc2)cc1OC ZINC000009584137 569549329 /nfs/dbraw/zinc/54/93/29/569549329.db2.gz ISVUMPNRRMBHKQ-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000009583849 569549337 /nfs/dbraw/zinc/54/93/37/569549337.db2.gz BNOJJRVSBBMYQX-AWEZNQCLSA-N 0 0 428.579 5.169 50 30 IKEARN Cc1cc(SCC(=O)Nc2c(Cl)cccc2Cl)n2c3ccccc3nc2c1C#N ZINC000009588031 569549814 /nfs/dbraw/zinc/54/98/14/569549814.db2.gz WCOGGQKFULOXCY-UHFFFAOYSA-N 0 0 441.343 5.705 50 30 IKEARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597382 569550956 /nfs/dbraw/zinc/55/09/56/569550956.db2.gz YVUYQXCLOWMDBF-HXUWFJFHSA-N 0 0 433.939 5.939 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000009601018 569551526 /nfs/dbraw/zinc/55/15/26/569551526.db2.gz RKVRSJGSJWAWLW-CHJDUVSTSA-N 0 0 431.535 6.916 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000009601024 569551567 /nfs/dbraw/zinc/55/15/67/569551567.db2.gz YDSDGVVXZWVWDR-URAOTHONSA-N 0 0 445.518 6.636 50 30 IKEARN CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009602019 569551666 /nfs/dbraw/zinc/55/16/66/569551666.db2.gz AOSIQHVFWXGOAG-QFIPXVFZSA-N 0 0 447.970 5.323 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@H](c3cccs3)C12 ZINC000009608546 569552132 /nfs/dbraw/zinc/55/21/32/569552132.db2.gz NRXZLRQOWQBRAK-GOSISDBHSA-N 0 0 428.970 5.307 50 30 IKEARN Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)s2)c1 ZINC000009616766 569553299 /nfs/dbraw/zinc/55/32/99/569553299.db2.gz XPLGCYLJBQIEAO-UHFFFAOYSA-N 0 0 441.607 5.133 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000009632938 569554123 /nfs/dbraw/zinc/55/41/23/569554123.db2.gz ADUQFDXVSNNGNN-UHFFFAOYSA-N 0 0 447.903 5.030 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)nnc1-c1ccoc1C ZINC000009635107 569554543 /nfs/dbraw/zinc/55/45/43/569554543.db2.gz VXVFMSYEZNECAE-UHFFFAOYSA-N 0 0 427.529 5.579 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Br)cc1 ZINC000009635938 569554673 /nfs/dbraw/zinc/55/46/73/569554673.db2.gz FMSCHFWHVYOSSH-JOCHJYFZSA-N 0 0 432.361 6.803 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2C1 ZINC000009640031 569555360 /nfs/dbraw/zinc/55/53/60/569555360.db2.gz NRLZCQKYUVMKKX-LBPRGKRZSA-N 0 0 435.599 6.335 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SC(=Cc2cccc(O)c2)C1=O ZINC000009659931 569556708 /nfs/dbraw/zinc/55/67/08/569556708.db2.gz KDKZPOZVPZDJMA-SXGWCWSVSA-N 0 0 436.316 5.243 50 30 IKEARN C=CCn1c(S[C@@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000009669844 569558158 /nfs/dbraw/zinc/55/81/58/569558158.db2.gz NFKAFHCXWRFVRF-HXUWFJFHSA-N 0 0 441.000 5.486 50 30 IKEARN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)S2)cc1 ZINC000009720923 569563317 /nfs/dbraw/zinc/56/33/17/569563317.db2.gz YHMVZBXKXHSXDK-STZFKDTASA-N 0 0 432.549 5.088 50 30 IKEARN COCCCN1C(=O)/C(=C/c2ccc(Br)s2)S/C1=N\c1ccccc1 ZINC000009720639 569563347 /nfs/dbraw/zinc/56/33/47/569563347.db2.gz HTFUJRNXZFWFNP-WOWDFQAJSA-N 0 0 437.384 5.151 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccc(F)cc1 ZINC000009725663 569563813 /nfs/dbraw/zinc/56/38/13/569563813.db2.gz UGWQYNQJSQUZJY-UHFFFAOYSA-N 0 0 426.517 5.825 50 30 IKEARN C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1ccccc1C#N ZINC000009729569 569564264 /nfs/dbraw/zinc/56/42/64/569564264.db2.gz BITMMWGSGPGUGX-ZDUSSCGKSA-N 0 0 436.587 5.858 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(Br)c2)C1=O ZINC000009731067 569564498 /nfs/dbraw/zinc/56/44/98/569564498.db2.gz GEUCTLMLMPOZKC-WJDWOHSUSA-N 0 0 448.313 5.132 50 30 IKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000009731353 569564586 /nfs/dbraw/zinc/56/45/86/569564586.db2.gz NPMPKRNHXJLMHA-UHFFFAOYSA-N 0 0 441.999 6.054 50 30 IKEARN COc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009731754 569564663 /nfs/dbraw/zinc/56/46/63/569564663.db2.gz VGBRQKMWBAOVAT-OAQYLSRUSA-N 0 0 434.927 5.265 50 30 IKEARN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000009731821 569564732 /nfs/dbraw/zinc/56/47/32/569564732.db2.gz VVWNYNGQYQHAER-NRFANRHFSA-N 0 0 434.927 5.265 50 30 IKEARN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000009731823 569564752 /nfs/dbraw/zinc/56/47/52/569564752.db2.gz VVWNYNGQYQHAER-OAQYLSRUSA-N 0 0 434.927 5.265 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009779435 569567366 /nfs/dbraw/zinc/56/73/66/569567366.db2.gz FQFPHGIEPQTZQF-SKCUWOTOSA-N 0 0 436.555 6.243 50 30 IKEARN COc1ccc2ccccc2c1[C@@H]1N=C(SCc2ccccc2C#N)NC(C)=C1C(C)=O ZINC000009781512 569567607 /nfs/dbraw/zinc/56/76/07/569567607.db2.gz FTVVYLCMCNFUBV-RUZDIDTESA-N 0 0 441.556 5.517 50 30 IKEARN C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000009790739 569568214 /nfs/dbraw/zinc/56/82/14/569568214.db2.gz XLXWZEPFJNLZEQ-CQSZACIVSA-N 0 0 431.920 5.199 50 30 IKEARN Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(C#N)c(C)c1C ZINC000009794521 569568413 /nfs/dbraw/zinc/56/84/13/569568413.db2.gz MONHPYVQMOUKCO-GOSISDBHSA-N 0 0 436.562 5.003 50 30 IKEARN CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)Nc3ccc(C#N)cc3)ccc21 ZINC000009805428 569568756 /nfs/dbraw/zinc/56/87/56/569568756.db2.gz JQVHQIWDFKPLBY-SFHVURJKSA-N 0 0 438.531 5.680 50 30 IKEARN O=C(CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000009849827 569571402 /nfs/dbraw/zinc/57/14/02/569571402.db2.gz RTQUVIKQMWQVQF-UAPGPWSHSA-N 0 0 435.936 5.505 50 30 IKEARN CCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(C)c3)nn21 ZINC000009856594 569571602 /nfs/dbraw/zinc/57/16/02/569571602.db2.gz WSGBRJIXRZQUHN-HSZRJFAPSA-N 0 0 446.576 5.300 50 30 IKEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(Cl)c3)nn21 ZINC000009856510 569571605 /nfs/dbraw/zinc/57/16/05/569571605.db2.gz YDQRHFWLDWPXQK-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(Cl)c3)nn21 ZINC000009856508 569571610 /nfs/dbraw/zinc/57/16/10/569571610.db2.gz YDQRHFWLDWPXQK-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN CCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3C)nn21 ZINC000009856592 569571614 /nfs/dbraw/zinc/57/16/14/569571614.db2.gz IWUCKSFKRGXOJQ-QHCPKHFHSA-N 0 0 446.576 5.300 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009861357 569571993 /nfs/dbraw/zinc/57/19/93/569571993.db2.gz FNGFQLCUZHNXMT-SANMLTNESA-N 0 0 434.536 5.401 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000009861343 569572006 /nfs/dbraw/zinc/57/20/06/569572006.db2.gz YRYPSTAXPBKBDQ-DEOSSOPVSA-N 0 0 443.374 6.691 50 30 IKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000009907626 569573176 /nfs/dbraw/zinc/57/31/76/569573176.db2.gz GRBPHZITUAMPKJ-DCMOEJRUSA-N 0 0 447.604 5.950 50 30 IKEARN CC(C)c1ccc(-c2c3c(nc(SCC(=O)c4ccc(Cl)cc4)c2C#N)CCC3)cc1 ZINC000009968632 569575923 /nfs/dbraw/zinc/57/59/23/569575923.db2.gz ZJNWAZPRZTWUGX-UHFFFAOYSA-N 0 0 447.003 6.861 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009969608 569576085 /nfs/dbraw/zinc/57/60/85/569576085.db2.gz SYGILBHLEIZYAT-JOCHJYFZSA-N 0 0 449.890 5.276 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 ZINC000009969651 569576125 /nfs/dbraw/zinc/57/61/25/569576125.db2.gz PTPHRRPTKJFIMD-IBGZPJMESA-N 0 0 432.303 5.156 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C1CCCCC1 ZINC000009983868 569576605 /nfs/dbraw/zinc/57/66/05/569576605.db2.gz LELCTUIKPVUACS-UHFFFAOYSA-N 0 0 425.385 5.549 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009993292 569576950 /nfs/dbraw/zinc/57/69/50/569576950.db2.gz LXZOJAMPWCKESK-OAQYLSRUSA-N 0 0 426.497 5.388 50 30 IKEARN C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000010022527 569577269 /nfs/dbraw/zinc/57/72/69/569577269.db2.gz TXOUNTYLZDPTCN-CYBMUJFWSA-N 0 0 430.599 5.439 50 30 IKEARN C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000010240475 569579749 /nfs/dbraw/zinc/57/97/49/569579749.db2.gz WFJIPMXVPDBLCP-OAHLLOKOSA-N 0 0 444.963 5.235 50 30 IKEARN COc1cc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc(OC)c1OC ZINC000010435157 569582178 /nfs/dbraw/zinc/58/21/78/569582178.db2.gz PCIGBRMWJUUTNV-PSCYQSDVSA-N 0 0 448.544 5.611 50 30 IKEARN C(=NN=c1[nH]c2ccccc2s1)c1cn(CCCOc2ccccc2)c2ccccc12 ZINC000001839959 569582763 /nfs/dbraw/zinc/58/27/63/569582763.db2.gz KHXFVHBMLFENTE-YZSQISJMSA-N 0 0 426.545 6.166 50 30 IKEARN O=[N+]([O-])c1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl ZINC000012125388 569584180 /nfs/dbraw/zinc/58/41/80/569584180.db2.gz WBYXWUVOJJARGW-UFWORHAWSA-N 0 0 437.706 5.580 50 30 IKEARN Cc1ccc(OCCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1 ZINC000001866422 569584306 /nfs/dbraw/zinc/58/43/06/569584306.db2.gz LMXRLTCMULQZCL-WPWMEQJKSA-N 0 0 440.572 6.475 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCC/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000025692681 569587279 /nfs/dbraw/zinc/58/72/79/569587279.db2.gz FDLQEQJYIXTTDH-DJJIWSAGSA-N 0 0 433.247 6.030 50 30 IKEARN CCCCCCCCCCCCCCCCN(CCNS(C)(=O)=O)c1ccccc1 ZINC000101015823 569588147 /nfs/dbraw/zinc/58/81/47/569588147.db2.gz VOFBIYJXGJBCGH-UHFFFAOYSA-N 0 0 438.722 6.524 50 30 IKEARN CCCCCCCCCCCCCCCCN(C(=S)c1ccccc1)c1ccccc1 ZINC000100970362 569588173 /nfs/dbraw/zinc/58/81/73/569588173.db2.gz NBMBZISJYCYPKZ-UHFFFAOYSA-N 0 0 437.737 9.350 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c([O-])c1 ZINC000100730671 569588183 /nfs/dbraw/zinc/58/81/83/569588183.db2.gz CSGHZFMNVVSDIF-UHFFFAOYSA-N 0 0 438.652 8.483 50 30 IKEARN C=CCn1c(CSc2nc3ccccc3s2)nnc1SC/C=C/c1ccccc1 ZINC000001895701 120690320 /nfs/dbraw/zinc/69/03/20/120690320.db2.gz NJHGNCNYKLXGRB-DHZHZOJOSA-N 0 0 436.631 6.172 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(OC)cc1 ZINC000030738666 122584905 /nfs/dbraw/zinc/58/49/05/122584905.db2.gz UAVDEMZBOXQRKS-ZMPCKTLKSA-N 0 0 439.606 5.860 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccc(F)cc1 ZINC000102148997 123570632 /nfs/dbraw/zinc/57/06/32/123570632.db2.gz MQPMPYKFHPMQJI-QLNITERQSA-N 0 0 433.961 5.863 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000102148747 123570659 /nfs/dbraw/zinc/57/06/59/123570659.db2.gz XEPZYMMCFVOVPS-UZLGTQPFSA-N 0 0 449.523 6.090 50 30 IKEARN Cc1nn(-c2cc(Oc3cc(C)c(Cl)c(C)c3)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000632477 193864292 /nfs/dbraw/zinc/86/42/92/193864292.db2.gz SRGLPOQPGOUCAG-UHFFFAOYSA-N 0 0 430.899 5.154 50 30 IKEARN C[C@@H]1CCc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c(C#N)cc2C1 ZINC000000688337 132229348 /nfs/dbraw/zinc/22/93/48/132229348.db2.gz XPSXZBKURPIYAJ-MRXNPFEDSA-N 0 0 443.597 6.000 50 30 IKEARN CCCc1cc(N2CCN(c3ccccc3Cl)CC2)n2c3ccccc3nc2c1C#N ZINC000001472974 132245911 /nfs/dbraw/zinc/24/59/11/132245911.db2.gz FWPALGKVACPFQR-UHFFFAOYSA-N 0 0 429.955 5.292 50 30 IKEARN N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccccc31)CCCCC2 ZINC000008412920 132281529 /nfs/dbraw/zinc/28/15/29/132281529.db2.gz SHWVRZVVLCDYJQ-UHFFFAOYSA-N 0 0 443.597 6.144 50 30 IKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCN(c5ccccc5)CC4)o3)o2)cc1 ZINC000008844490 132295893 /nfs/dbraw/zinc/29/58/93/132295893.db2.gz OMLMSMYXPJLGRK-UHFFFAOYSA-N 0 0 440.503 5.020 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002444650 517339273 /nfs/dbraw/zinc/33/92/73/517339273.db2.gz SZRDGFJAHOUEQX-UHFFFAOYSA-N 0 0 432.420 7.028 50 30 IKEARN CC(C)(O)C#Cc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000716580 517401617 /nfs/dbraw/zinc/40/16/17/517401617.db2.gz VIYNQJJVSTUSIF-UHFFFAOYSA-N 0 0 432.560 5.209 50 30 IKEARN CCCCCCCC(=O)N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl ZINC000003065898 517554615 /nfs/dbraw/zinc/55/46/15/517554615.db2.gz XVDBULGDXDEIJG-OAHLLOKOSA-N 0 0 439.861 6.561 50 30 IKEARN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)o2)c1 ZINC000016194125 518027644 /nfs/dbraw/zinc/02/76/44/518027644.db2.gz YLAFORKVHYADGE-UNOMPAQXSA-N 0 0 438.892 5.278 50 30 IKEARN Brc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3)n2)cc1 ZINC000008927094 518207888 /nfs/dbraw/zinc/20/78/88/518207888.db2.gz DODLVKDMATVLFP-PCLIKHOPSA-N 0 0 429.321 6.019 50 30 IKEARN Brc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3cccnc3)n2)cc1 ZINC000013304965 518207916 /nfs/dbraw/zinc/20/79/16/518207916.db2.gz BDCSUSLGGSUOBI-MFKUBSTISA-N 0 0 430.309 5.414 50 30 IKEARN Brc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000008927037 518209281 /nfs/dbraw/zinc/20/92/81/518209281.db2.gz CYWAKAIZJBYRED-PCLIKHOPSA-N 0 0 429.321 6.019 50 30 IKEARN C#CCCCCCCCCC(=O)O[C@H]1OCCO[C@@H]1OC(=O)CCCCCCCCC#C ZINC000006013654 518246712 /nfs/dbraw/zinc/24/67/12/518246712.db2.gz VIBSGKFRYYRQHJ-CLJLJLNGSA-N 0 0 448.600 5.280 50 30 IKEARN C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000012326766 518250717 /nfs/dbraw/zinc/25/07/17/518250717.db2.gz ARSMZRBTDXBWAZ-UHFFFAOYSA-N 0 0 449.547 5.228 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000012342680 518264608 /nfs/dbraw/zinc/26/46/08/518264608.db2.gz IEKMDENAYOCECQ-LICLKQGHSA-N 0 0 448.378 5.075 50 30 IKEARN CC(=O)c1cc(C)c(C)cc1NC(=O)C(=Nc1ccc(C)c(C)c1)C(=O)c1cccs1 ZINC000020138850 518275543 /nfs/dbraw/zinc/27/55/43/518275543.db2.gz PSWXQESTVXIHFM-RWEWTDSWSA-N 0 0 432.545 5.778 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000002165135 518316021 /nfs/dbraw/zinc/31/60/21/518316021.db2.gz GDWZBCGLGZEQML-MHWRWJLKSA-N 0 0 438.719 5.900 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000002164786 518317012 /nfs/dbraw/zinc/31/70/12/518317012.db2.gz RNZFBYOSZMLDMB-SXGWCWSVSA-N 0 0 438.719 5.900 50 30 IKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC ZINC000046076276 518329206 /nfs/dbraw/zinc/32/92/06/518329206.db2.gz BXYFSIPWMQVGEK-LJQANCHMSA-N 0 0 433.529 5.309 50 30 IKEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC ZINC000021157855 518329879 /nfs/dbraw/zinc/32/98/79/518329879.db2.gz UTCNMEYWJZABDN-GOSISDBHSA-N 0 0 437.948 5.953 50 30 IKEARN C#Cc1cccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)c1 ZINC000012369950 518363226 /nfs/dbraw/zinc/36/32/26/518363226.db2.gz ZFJUUHDOHLWLQW-UHFFFAOYSA-N 0 0 429.570 5.273 50 30 IKEARN C(=N/c1ccccc1)\C1=C(c2ccccc2)S[C@@H](c2ccccc2)C(Cc2ccccc2)=C1 ZINC000012376235 518378492 /nfs/dbraw/zinc/37/84/92/518378492.db2.gz YNKQRWKIVXESQW-WDTGHZBBSA-N 0 0 443.615 8.457 50 30 IKEARN C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843454 518457731 /nfs/dbraw/zinc/45/77/31/518457731.db2.gz LTXABRYQWSVRFB-OFWBYEQRSA-N 0 0 426.535 7.149 50 30 IKEARN C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C ZINC000035843424 518457752 /nfs/dbraw/zinc/45/77/52/518457752.db2.gz XCJZOJHUHJDEGQ-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000036026020 518460283 /nfs/dbraw/zinc/46/02/83/518460283.db2.gz MNOLWTJPNGKKBZ-FXVMGJAWSA-N 0 0 448.364 5.216 50 30 IKEARN C/C(=N\N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000044607947 518461693 /nfs/dbraw/zinc/46/16/93/518461693.db2.gz MUKOVGSSZRZHGH-LBEGURLNSA-N 0 0 448.935 6.092 50 30 IKEARN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000012343301 518463233 /nfs/dbraw/zinc/46/32/33/518463233.db2.gz KDJZJWFRDXECQO-OGLMXYFKSA-N 0 0 443.348 6.409 50 30 IKEARN C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 ZINC000013306064 518470478 /nfs/dbraw/zinc/47/04/78/518470478.db2.gz AKOOWZMDMWNBHZ-NDZAJKAJSA-N 0 0 435.483 5.865 50 30 IKEARN C/C(=N\OC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000008454629 518471010 /nfs/dbraw/zinc/47/10/10/518471010.db2.gz QWWRJVFHVPGQED-NJZRLIGZSA-N 0 0 436.555 7.223 50 30 IKEARN C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000013564407 518585843 /nfs/dbraw/zinc/58/58/43/518585843.db2.gz FYGNZWIUSAWRQA-SVBPBHIXSA-N 0 0 439.555 5.041 50 30 IKEARN C=C(C)C(=O)N(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000009235176 518586824 /nfs/dbraw/zinc/58/68/24/518586824.db2.gz IDXJTIWZDBAFJH-LJAQVGFWSA-N 0 0 448.651 5.866 50 30 IKEARN CC(C)(C)C(=O)ON=C(Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl ZINC000012369977 518592530 /nfs/dbraw/zinc/59/25/30/518592530.db2.gz OLOYNOSEGWGGPR-UHFFFAOYSA-N 0 0 449.256 6.255 50 30 IKEARN C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1 ZINC000013607374 518617850 /nfs/dbraw/zinc/61/78/50/518617850.db2.gz CRQHQYIIKZBRJC-UHFFFAOYSA-N 0 0 434.517 5.237 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002254400 518624660 /nfs/dbraw/zinc/62/46/60/518624660.db2.gz RAEQNQWAFWENMY-UHFFFAOYSA-N 0 0 444.600 5.944 50 30 biogenic IKEARN C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 ZINC000001805261 518625578 /nfs/dbraw/zinc/62/55/78/518625578.db2.gz DYKIIDUHIXADND-UHFFFAOYSA-N 0 0 428.601 6.244 50 30 biogenic IKEARN C=C(C)Cn1c(SCC(=O)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000000641508 518640360 /nfs/dbraw/zinc/64/03/60/518640360.db2.gz CGUIJMJGEITCDX-UHFFFAOYSA-N 0 0 428.554 5.027 50 30 IKEARN C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000012243410 518650545 /nfs/dbraw/zinc/65/05/45/518650545.db2.gz CPUSWMHVHOVEAO-FMIVXFBMSA-N 0 0 436.914 5.594 50 30 IKEARN C=C1[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000013304927 518667207 /nfs/dbraw/zinc/66/72/07/518667207.db2.gz CRZLCZVPGSGGGD-VSGBNLITSA-N 0 0 444.534 6.400 50 30 IKEARN C=CC(=O)OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103548157 518682672 /nfs/dbraw/zinc/68/26/72/518682672.db2.gz UOJGGAYAADUVAH-UHFFFAOYSA-N 0 0 446.203 5.625 50 30 IKEARN C=CCCC(=O)N1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1 ZINC000023331030 518692917 /nfs/dbraw/zinc/69/29/17/518692917.db2.gz PMEAHJMNNKABIM-UHFFFAOYSA-N 0 0 440.509 6.381 50 30 IKEARN C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@@H]2CCCCO2)C1 ZINC000012327399 518694463 /nfs/dbraw/zinc/69/44/63/518694463.db2.gz CEPHYRMQGZVQQA-NRFANRHFSA-N 0 0 441.593 5.359 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000036203030 518697541 /nfs/dbraw/zinc/69/75/41/518697541.db2.gz AQDKFJAETBTABE-QHCPKHFHSA-N 0 0 427.560 5.720 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2)C[C@@H]2CCCO2)o1 ZINC000036203351 518697810 /nfs/dbraw/zinc/69/78/10/518697810.db2.gz OKNNNLKYXQKWDU-DEOSSOPVSA-N 0 0 439.596 5.589 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2)C[C@H]2CCCO2)o1 ZINC000036203356 518698320 /nfs/dbraw/zinc/69/83/20/518698320.db2.gz OKNNNLKYXQKWDU-XMMPIXPASA-N 0 0 439.596 5.589 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000036203034 518698651 /nfs/dbraw/zinc/69/86/51/518698651.db2.gz AQDKFJAETBTABE-HSZRJFAPSA-N 0 0 427.560 5.720 50 30 IKEARN C=CCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCC=C)n1 ZINC000004631052 518699735 /nfs/dbraw/zinc/69/97/35/518699735.db2.gz LJAPGEFYDLJXSO-UHFFFAOYSA-N 0 0 441.660 7.572 50 30 IKEARN C=CCC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346152 518723714 /nfs/dbraw/zinc/72/37/14/518723714.db2.gz GJUPBECMBSSCDT-DEOSSOPVSA-N 0 0 449.595 5.057 50 30 IKEARN C=CCN(C(=O)Cn1c2cnccc2nc1SCc1cccc(C)c1)c1ccccc1 ZINC000008913004 518735908 /nfs/dbraw/zinc/73/59/08/518735908.db2.gz YROMJWWVTPYXLJ-UHFFFAOYSA-N 0 0 428.561 5.251 50 30 IKEARN C=CCN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000012807741 518738908 /nfs/dbraw/zinc/73/89/08/518738908.db2.gz PCEZKOHCESRDIX-UHFFFAOYSA-N 0 0 437.952 5.423 50 30 IKEARN C=CCN(C(=O)c1ccnc(Cl)c1)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000021711084 518740626 /nfs/dbraw/zinc/74/06/26/518740626.db2.gz KPLWBVISLBZMMC-UHFFFAOYSA-N 0 0 435.936 5.853 50 30 IKEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000004806922 518746360 /nfs/dbraw/zinc/74/63/60/518746360.db2.gz CQFIZFFEMRHTBS-UHFFFAOYSA-N 0 0 430.589 5.175 50 30 IKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)CC(C)C ZINC000036051364 518757816 /nfs/dbraw/zinc/75/78/16/518757816.db2.gz BYDFHLKSDOKLBR-UHFFFAOYSA-N 0 0 444.579 5.155 50 30 IKEARN C=CCN(CC=C)C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000012343633 518768650 /nfs/dbraw/zinc/76/86/50/518768650.db2.gz PGPVNRYRWRGYOP-UHFFFAOYSA-N 0 0 436.584 6.335 50 30 IKEARN C=CCN(Cc1ccc(Cl)s1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000020682028 518781565 /nfs/dbraw/zinc/78/15/65/518781565.db2.gz GMEIOKPZGFNWQK-UHFFFAOYSA-N 0 0 445.972 5.694 50 30 IKEARN C=CCN(Cc1ccc(Cl)s1)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000013128518 518782026 /nfs/dbraw/zinc/78/20/26/518782026.db2.gz LLPLJNAKELZIQX-UHFFFAOYSA-N 0 0 426.929 5.603 50 30 IKEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036107098 518794997 /nfs/dbraw/zinc/79/49/97/518794997.db2.gz SFHOQOMLQIBURP-UHFFFAOYSA-N 0 0 426.969 5.821 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2cc(C(C)C)ccc2C)c1 ZINC000013109514 518818448 /nfs/dbraw/zinc/81/84/48/518818448.db2.gz WIOJIPKSNHBZDF-UHFFFAOYSA-N 0 0 449.572 5.719 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CCCC)cc2)c1 ZINC000012681928 518819751 /nfs/dbraw/zinc/81/97/51/518819751.db2.gz JMVHJJVMOUXRJC-UHFFFAOYSA-N 0 0 448.588 5.663 50 30 IKEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc([C@H](C)CC)cc2)CC1=O ZINC000004910491 518872364 /nfs/dbraw/zinc/87/23/64/518872364.db2.gz JFCBJJQXBQGVQF-IFMALSPDSA-N 0 0 431.580 5.521 50 30 IKEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2cccc(C)c2)cc1 ZINC000037557885 518902900 /nfs/dbraw/zinc/90/29/00/518902900.db2.gz HCIWZUUMMAIKMS-UHFFFAOYSA-N 0 0 427.548 5.387 50 30 IKEARN C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095137 518923895 /nfs/dbraw/zinc/92/38/95/518923895.db2.gz CUNYULOBYNDRQS-UZTOHYMASA-N 0 0 449.554 5.379 50 30 IKEARN C=CCNc1oc(Cc2cccc3ccccc32)nc1P(=O)(OCCC)OCCC ZINC000080345690 518967434 /nfs/dbraw/zinc/96/74/34/518967434.db2.gz GKKGPBOOPVZUSH-UHFFFAOYSA-N 0 0 428.469 5.688 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2cc(F)cc(F)c2)C(=O)C[C@H]1c1ccccc1Cl ZINC000037280084 518969184 /nfs/dbraw/zinc/96/91/84/518969184.db2.gz BVGPGOCUWCICKK-IBGZPJMESA-N 0 0 431.866 5.138 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@H]1c1ccccc1Cl ZINC000037280138 518969329 /nfs/dbraw/zinc/96/93/29/518969329.db2.gz BXVCNSLZTHRPOM-IBGZPJMESA-N 0 0 430.331 5.513 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2cc(F)cc(F)c2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000037280086 518969486 /nfs/dbraw/zinc/96/94/86/518969486.db2.gz BVGPGOCUWCICKK-LJQANCHMSA-N 0 0 431.866 5.138 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000037577364 518969728 /nfs/dbraw/zinc/96/97/28/518969728.db2.gz BSECAYXAXSLNAE-GOSISDBHSA-N 0 0 431.866 5.138 50 30 IKEARN C=CCOC(=O)C1C(C)=Nc2nc(-c3ccc(Cl)cc3)nn2[C@@H]1c1ccc(CC)cc1 ZINC000013129737 518972690 /nfs/dbraw/zinc/97/26/90/518972690.db2.gz HVKKWIJYLWSTAL-OAQYLSRUSA-N 0 0 434.927 5.179 50 30 IKEARN CC(C)(C)c1cc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000018200387 519006386 /nfs/dbraw/zinc/00/63/86/519006386.db2.gz SSCBFLWVNGUNQZ-GOSISDBHSA-N 0 0 437.584 5.617 50 30 IKEARN CC(C)(C)c1cc2nc(C(F)(F)F)cc(NN=Cc3ccc(C(F)(F)F)cc3)n2n1 ZINC000012367279 519007170 /nfs/dbraw/zinc/00/71/70/519007170.db2.gz ZSPXTAKRORRFEA-NSKAYECMSA-N 0 0 429.368 5.510 50 30 IKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c(C)c1 ZINC000033364095 519008722 /nfs/dbraw/zinc/00/87/22/519008722.db2.gz OXBUWOPINDVTJF-KGENOOAVSA-N 0 0 447.585 5.244 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000009296685 519015276 /nfs/dbraw/zinc/01/52/76/519015276.db2.gz WFPCETNNZLDDSG-VCHYOVAHSA-N 0 0 436.316 5.808 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000036352197 519029595 /nfs/dbraw/zinc/02/95/95/519029595.db2.gz WOTSSRIGUXFNKR-NOZRDPDXSA-N 0 0 427.460 5.402 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000012194206 519029707 /nfs/dbraw/zinc/02/97/07/519029707.db2.gz XDMYLYYKULHGBB-IAPPQJPRSA-N 0 0 440.543 6.283 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000008817388 519030236 /nfs/dbraw/zinc/03/02/36/519030236.db2.gz FJEKASOJDJPVBY-HOFKKMOUSA-N 0 0 442.515 5.511 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000012194217 519030315 /nfs/dbraw/zinc/03/03/15/519030315.db2.gz GWNCCVGLRPMTRM-IXCJQBJRSA-N 0 0 440.543 6.281 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000229885030 519030661 /nfs/dbraw/zinc/03/06/61/519030661.db2.gz WOTSSRIGUXFNKR-ZCYQVOJMSA-N 0 0 427.460 5.402 50 30 IKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000001413009 519049241 /nfs/dbraw/zinc/04/92/41/519049241.db2.gz MJCMKTPAJJWGSN-WXTAPIANSA-N 0 0 428.601 7.025 50 30 IKEARN C=CCOc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1 ZINC000001748327 519050118 /nfs/dbraw/zinc/05/01/18/519050118.db2.gz NABRQIGCPCLNDL-UHFFFAOYSA-N 0 0 438.401 6.836 50 30 IKEARN CC(C)(C)c1ccccc1NC(=NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000012603702 519055296 /nfs/dbraw/zinc/05/52/96/519055296.db2.gz FPQLLCUBDVCPCI-UHFFFAOYSA-N 0 0 428.504 5.510 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NCCc1ccccc1)n2Cc1cccc(Cl)c1 ZINC000035908446 519064348 /nfs/dbraw/zinc/06/43/48/519064348.db2.gz WGMKQHUYAQIECG-UHFFFAOYSA-N 0 0 444.962 5.880 50 30 IKEARN C=CCSc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012733496 519078641 /nfs/dbraw/zinc/07/86/41/519078641.db2.gz OERJBRHKDATMFR-UHFFFAOYSA-N 0 0 447.585 5.350 50 30 IKEARN C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088241 519082932 /nfs/dbraw/zinc/08/29/32/519082932.db2.gz LAAKVMHMNRIVIJ-UHFFFAOYSA-N 0 0 427.303 6.726 50 30 IKEARN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCc1ccc(OC)c(OC)c1 ZINC000012421721 519123211 /nfs/dbraw/zinc/12/32/11/519123211.db2.gz WGKRSLSLNOHHLA-UHFFFAOYSA-N 0 0 428.536 5.105 50 30 IKEARN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000002123439 519130018 /nfs/dbraw/zinc/13/00/18/519130018.db2.gz KCGKFNDIPRRWLW-UHFFFAOYSA-N 0 0 428.459 5.604 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1Cl ZINC000022109434 519151144 /nfs/dbraw/zinc/15/11/44/519151144.db2.gz SFFRKNZZMKEFCL-BZZOAKBMSA-N 0 0 435.936 6.134 50 30 IKEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)c1ccc(F)cc1 ZINC000001895939 519158760 /nfs/dbraw/zinc/15/87/60/519158760.db2.gz VYZQSNXIIGFYDM-UHFFFAOYSA-N 0 0 436.533 5.425 50 30 IKEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1nnsc1Cl ZINC000021665316 519159483 /nfs/dbraw/zinc/15/94/83/519159483.db2.gz SXOJOGSXASEZQE-UHFFFAOYSA-N 0 0 432.983 5.108 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1cccc(Br)c1)CCCC3 ZINC000002391738 519159717 /nfs/dbraw/zinc/15/97/17/519159717.db2.gz IVJIBRJZSCEGOD-UHFFFAOYSA-N 0 0 447.423 5.578 50 30 IKEARN C=CCn1c(=S)n(C2c3ccccc3Oc3ccccc32)nc1-c1ccccc1Cl ZINC000012363682 519166040 /nfs/dbraw/zinc/16/60/40/519166040.db2.gz BSGYEPGONQURTC-UHFFFAOYSA-N 0 0 431.948 6.664 50 30 IKEARN C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000000672997 519186648 /nfs/dbraw/zinc/18/66/48/519186648.db2.gz AHISMWKYQQHRCZ-UHFFFAOYSA-N 0 0 444.560 5.236 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1SC/C(=C\C(=O)C(C)(C)C)C(C)(C)C ZINC000097171032 519189298 /nfs/dbraw/zinc/18/92/98/519189298.db2.gz OTKWGKUNSANVAC-SAPNQHFASA-N 0 0 445.604 5.862 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1cccc(Cl)c1 ZINC000013805723 519218519 /nfs/dbraw/zinc/21/85/19/519218519.db2.gz LIROWGCGBPQLRG-INIZCTEOSA-N 0 0 441.000 6.029 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1 ZINC000009261014 519220642 /nfs/dbraw/zinc/22/06/42/519220642.db2.gz NPYDWDODNYNBBU-UHFFFAOYSA-N 0 0 432.471 5.189 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(Cl)cc1 ZINC000002445070 519223580 /nfs/dbraw/zinc/22/35/80/519223580.db2.gz AZWRTKBGQRMNEH-UHFFFAOYSA-N 0 0 441.000 5.813 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1Cl ZINC000002450882 519223659 /nfs/dbraw/zinc/22/36/59/519223659.db2.gz KVAMWUXPNXHOBV-UHFFFAOYSA-N 0 0 441.000 5.813 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc(C)c(C)c2c1=O ZINC000002415275 519224402 /nfs/dbraw/zinc/22/44/02/519224402.db2.gz KLFATNGMPQZPJO-UHFFFAOYSA-N 0 0 427.595 5.115 50 30 IKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017098719 519236707 /nfs/dbraw/zinc/23/67/07/519236707.db2.gz HHPYCBDJNVOXNL-CYBMUJFWSA-N 0 0 434.005 6.402 50 30 IKEARN C=CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1cccc(Br)c1 ZINC000002342503 519245109 /nfs/dbraw/zinc/24/51/09/519245109.db2.gz RLQXUASKEYVZPV-UHFFFAOYSA-N 0 0 431.315 5.094 50 30 IKEARN C=CCn1c(S[C@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000009669845 519254770 /nfs/dbraw/zinc/25/47/70/519254770.db2.gz NFKAFHCXWRFVRF-FQEVSTJZSA-N 0 0 441.000 5.486 50 30 IKEARN C=CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccoc1C ZINC000012763332 519259626 /nfs/dbraw/zinc/25/96/26/519259626.db2.gz MDVWETAEEJFPAY-UHFFFAOYSA-N 0 0 440.528 5.692 50 30 IKEARN C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000013114665 519259987 /nfs/dbraw/zinc/25/99/87/519259987.db2.gz AQSTVXBZIBSFNU-QFIPXVFZSA-N 0 0 442.544 5.062 50 30 IKEARN C=CCn1c2ccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)cc2sc1=O ZINC000064473033 519262268 /nfs/dbraw/zinc/26/22/68/519262268.db2.gz UJPDNMAUIKMKGT-UHFFFAOYSA-N 0 0 425.897 5.118 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OC)c3OC(F)F)c12 ZINC000012681212 519266030 /nfs/dbraw/zinc/26/60/30/519266030.db2.gz RNWBLEPZCCOALG-OUKQBFOZSA-N 0 0 437.446 5.290 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OC(F)F)c3)c12 ZINC000012681217 519266076 /nfs/dbraw/zinc/26/60/76/519266076.db2.gz DMEYBTALIQWGEF-PKNBQFBNSA-N 0 0 437.446 5.290 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(OC)c(OCC)c3)c12 ZINC000012682923 519266247 /nfs/dbraw/zinc/26/62/47/519266247.db2.gz NTSBTSRKQZNXBO-VAWYXSNFSA-N 0 0 449.938 5.740 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3c(C)nn(CC(C)C)c3Cl)c12 ZINC000012682936 519266488 /nfs/dbraw/zinc/26/64/88/519266488.db2.gz VBXQUIUFBWOYQF-VAWYXSNFSA-N 0 0 435.959 5.494 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OC)c3OC(F)F)c12 ZINC000096925846 519267149 /nfs/dbraw/zinc/26/71/49/519267149.db2.gz RNWBLEPZCCOALG-SEYXRHQNSA-N 0 0 437.446 5.290 50 30 IKEARN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002752753 519370668 /nfs/dbraw/zinc/37/06/68/519370668.db2.gz WHMZWEKRMVITAW-NRFANRHFSA-N 0 0 443.355 5.773 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000012381903 519477300 /nfs/dbraw/zinc/47/73/00/519477300.db2.gz QMJDXUNAWVEDGN-BCHFMIIMSA-N 0 0 426.516 5.836 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000008818436 519584229 /nfs/dbraw/zinc/58/42/29/519584229.db2.gz KBIPPHDYJJXYAY-MHZLTWQESA-N 0 0 445.607 5.942 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl ZINC000000997878 519640421 /nfs/dbraw/zinc/64/04/21/519640421.db2.gz VGODSZIIWZSODU-JOCHJYFZSA-N 0 0 429.347 6.156 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257350705 519645906 /nfs/dbraw/zinc/64/59/06/519645906.db2.gz ZJFYDPFCQFKJHC-UGYLRBLDSA-N 0 0 430.677 7.740 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257347669 519756931 /nfs/dbraw/zinc/75/69/31/519756931.db2.gz PMBSWZWCNKVWLV-GYYYIBEDSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000257348655 519757146 /nfs/dbraw/zinc/75/71/46/519757146.db2.gz HTZDJVPKUOXQMG-HXXWEPEYSA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12 ZINC000257348676 519757379 /nfs/dbraw/zinc/75/73/79/519757379.db2.gz HXUGNDVVHVLCAY-SCZCOUFESA-N 0 0 442.684 7.139 50 30 IKEARN CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000815808 519759425 /nfs/dbraw/zinc/75/94/25/519759425.db2.gz TZUWKRAYJMAJJN-NSYGIPOTSA-N 0 0 430.529 5.653 50 30 IKEARN CC(=O)Sc1ccc(C#Cc2ccc(C#Cc3ccc(SC(C)=O)cc3)cc2)cc1 ZINC000042784430 519760155 /nfs/dbraw/zinc/76/01/55/519760155.db2.gz HTBKJDXAIPKGEY-UHFFFAOYSA-N 0 0 426.562 5.763 50 30 IKEARN CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000013568679 519782023 /nfs/dbraw/zinc/78/20/23/519782023.db2.gz YSNMAQAFVVBILW-HFJWLAOPSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000012736728 519799835 /nfs/dbraw/zinc/79/98/35/519799835.db2.gz QFYBVQLVAZZPEV-SNVBAGLBSA-N 0 0 429.752 5.220 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102607560 519840144 /nfs/dbraw/zinc/84/01/44/519840144.db2.gz KKJNQEZOLFNTKR-MOBKVPTQSA-N 0 0 435.907 5.678 50 30 IKEARN CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000009805292 519840402 /nfs/dbraw/zinc/84/04/02/519840402.db2.gz ZWOYZOAVXBSZMW-SLGOVJDISA-N 0 0 444.578 7.425 50 30 IKEARN CCCC(NCCc1c(C)[nH]c2ccc(OC)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140057 519884859 /nfs/dbraw/zinc/88/48/59/519884859.db2.gz JTYYNFYPFRLSLG-UHFFFAOYSA-N 0 0 444.575 5.387 50 30 IKEARN CCCC(Nc1ccc(NC(CCC)=C2C(=O)CCCC2=O)cc1)=C1C(=O)CCCC1=O ZINC000000721597 519884894 /nfs/dbraw/zinc/88/48/94/519884894.db2.gz KIMBWDXRGYKAHW-UHFFFAOYSA-N 0 0 436.552 5.263 50 30 IKEARN CCCCCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1OC ZINC000098021303 519966430 /nfs/dbraw/zinc/96/64/30/519966430.db2.gz LGSJAVJNBHTZMX-XMMPIXPASA-N 0 0 426.582 5.773 50 30 IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000060272634 519968670 /nfs/dbraw/zinc/96/86/70/519968670.db2.gz KIZIRRWZTGNUCT-KTKRTIGZSA-N 0 0 439.644 6.891 50 30 IKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000097958846 519970232 /nfs/dbraw/zinc/97/02/32/519970232.db2.gz WZZYFYYJSCDNGW-NLPPSYTOSA-N 0 0 438.528 6.065 50 30 IKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000101022342 519973883 /nfs/dbraw/zinc/97/38/83/519973883.db2.gz GEVYEZSWYNSSOX-MRXNPFEDSA-N 0 0 438.852 5.536 50 30 IKEARN CCCCCCCCCCCC(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1C(=O)N2 ZINC000102999847 519981104 /nfs/dbraw/zinc/98/11/04/519981104.db2.gz AQUSAPZXNLOPGB-UHFFFAOYSA-N 0 0 434.024 5.735 50 30 IKEARN CCCCCCCCCCCCC=C=CC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000049881746 519985828 /nfs/dbraw/zinc/98/58/28/519985828.db2.gz YGBSGZPIDCXNEH-QFIPXVFZSA-N 0 0 435.649 6.632 50 30 in-vitro IKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C[C@@H]1CCCO1 ZINC000103000666 519988314 /nfs/dbraw/zinc/98/83/14/519988314.db2.gz CLZPIKHJUYLPIC-NRFANRHFSA-N 0 0 435.609 5.322 50 30 IKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000097976977 519988529 /nfs/dbraw/zinc/98/85/29/519988529.db2.gz DZKDTGRLPNLYGZ-GOSISDBHSA-N 0 0 429.904 6.888 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)OC[C@]1(CO)CCCO1 ZINC000101020998 519994559 /nfs/dbraw/zinc/99/45/59/519994559.db2.gz NNCZMROTQMDGEM-RUZDIDTESA-N 0 0 427.670 6.516 50 30 IKEARN CCCCCCCCCCCCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC ZINC000101019862 519995091 /nfs/dbraw/zinc/99/50/91/519995091.db2.gz WKXSSRZTIIVWPN-UHFFFAOYSA-N 0 0 440.709 8.161 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1C ZINC000100856185 519995215 /nfs/dbraw/zinc/99/52/15/519995215.db2.gz KCJYGMRJLFKITG-UHFFFAOYSA-N 0 0 437.112 9.031 50 30 IKEARN CCCCCCCCCCCCCCCCCCSCCNC(=O)c1cccnc1 ZINC000033353745 519996652 /nfs/dbraw/zinc/99/66/52/519996652.db2.gz MDCWCMBOZLCTFU-UHFFFAOYSA-N 0 0 434.734 7.806 50 30 IKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1-c1ccccc1 ZINC000008440028 519997392 /nfs/dbraw/zinc/99/73/92/519997392.db2.gz KFBOERZAXRBGNF-UHFFFAOYSA-N 0 0 446.723 9.965 50 30 IKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000101014130 520000767 /nfs/dbraw/zinc/00/07/67/520000767.db2.gz XJFPDMABFJZFNK-UHFFFAOYSA-N 0 0 435.501 8.248 50 30 IKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000082034531 520001003 /nfs/dbraw/zinc/00/10/03/520001003.db2.gz IRLRPTGJQBWBNF-UHFFFAOYSA-N 0 0 426.623 6.354 50 30 IKEARN CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccccc1 ZINC000059069601 520007171 /nfs/dbraw/zinc/00/71/71/520007171.db2.gz XJEPUDKDCKLTSL-UHFFFAOYSA-N 0 0 429.777 10.335 50 30 IKEARN CCCCCCCCCCCNc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n21 ZINC000096021484 520015824 /nfs/dbraw/zinc/01/58/24/520015824.db2.gz PYWUVRLJASWXKI-UHFFFAOYSA-N 0 0 446.683 8.199 50 30 IKEARN CCCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 ZINC000100867996 520021315 /nfs/dbraw/zinc/02/13/15/520021315.db2.gz PJJHGXVGZRWLMN-FFTVJWTNSA-N 0 0 449.635 7.681 50 30 IKEARN CCCCCCCCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc21 ZINC000102818156 520028938 /nfs/dbraw/zinc/02/89/38/520028938.db2.gz RFXOYVOTMQHIJV-UHFFFAOYSA-N 0 0 448.542 6.202 50 30 IKEARN CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccc(O)cc31)O2 ZINC000002049078 520034072 /nfs/dbraw/zinc/03/40/72/520034072.db2.gz ROWVTODRWLDREG-GDLZYMKVSA-N 0 0 442.603 7.495 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(Br)c1 ZINC000101284695 520039463 /nfs/dbraw/zinc/03/94/63/520039463.db2.gz XVOQWIZSIDMNCI-LJQANCHMSA-N 0 0 447.377 5.233 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000100856768 520043032 /nfs/dbraw/zinc/04/30/32/520043032.db2.gz CTJRALVEOGVEIZ-NKFKGCMQSA-N 0 0 439.646 7.140 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 ZINC000102660522 520043629 /nfs/dbraw/zinc/04/36/29/520043629.db2.gz MVTQGERUFVZPPG-OQKWZONESA-N 0 0 436.548 6.424 50 30 IKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000059314295 520047495 /nfs/dbraw/zinc/04/74/95/520047495.db2.gz RSYAEGYTIQGKTB-KBSFFUMNSA-N 0 0 428.701 8.248 50 30 biogenic IKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253499438 520047636 /nfs/dbraw/zinc/04/76/36/520047636.db2.gz HDTQUHRXMVKWMI-MFAAEJLFSA-N 0 0 442.728 8.638 50 30 biogenic IKEARN CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1 ZINC000050861920 520055255 /nfs/dbraw/zinc/05/52/55/520055255.db2.gz ZJMZSABSTULIFS-UHFFFAOYSA-N 0 0 439.556 5.060 50 30 IKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000097940012 520061628 /nfs/dbraw/zinc/06/16/28/520061628.db2.gz ILOLDPMFRNCBBN-SFHVURJKSA-N 0 0 427.541 5.380 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000002397188 520061758 /nfs/dbraw/zinc/06/17/58/520061758.db2.gz FJLTYBUYHCNVMU-UHFFFAOYSA-N 0 0 430.552 5.900 50 30 IKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3 ZINC000002294992 520065495 /nfs/dbraw/zinc/06/54/95/520065495.db2.gz PVAUJKCPEHMIQR-HNNXBMFYSA-N 0 0 446.686 5.856 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 ZINC000002274702 520065530 /nfs/dbraw/zinc/06/55/30/520065530.db2.gz WKLMCIKLHYAYLD-UHFFFAOYSA-N 0 0 440.678 7.087 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O ZINC000002323804 520071230 /nfs/dbraw/zinc/07/12/30/520071230.db2.gz MCGGZVPZMLZSIY-UHFFFAOYSA-N 0 0 429.499 5.393 50 30 IKEARN CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000097954152 520072601 /nfs/dbraw/zinc/07/26/01/520072601.db2.gz IHSMSDRGLSGLOW-UHFFFAOYSA-N 0 0 439.563 5.871 50 30 IKEARN CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019817880 520105041 /nfs/dbraw/zinc/10/50/41/520105041.db2.gz UTQVSJHJECLOEL-UHFFFAOYSA-N 0 0 449.635 6.619 50 30 IKEARN CCCCCCSc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C#N ZINC000021630106 520108844 /nfs/dbraw/zinc/10/88/44/520108844.db2.gz DTPLSLFQMLZDGV-UHFFFAOYSA-N 0 0 442.588 6.326 50 30 IKEARN CC/C(=N\NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccc(Br)s1 ZINC000019637869 520179387 /nfs/dbraw/zinc/17/93/87/520179387.db2.gz WDYCRLQOBALNSB-HMMYKYKNSA-N 0 0 443.432 5.145 50 30 IKEARN CC/C(=N\Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2ccccc2F)cc1 ZINC000012369202 520180174 /nfs/dbraw/zinc/18/01/74/520180174.db2.gz IMPZROPIJDTEAI-ZXVVBBHZSA-N 0 0 432.373 6.613 50 30 IKEARN CC/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC ZINC000012402013 520206168 /nfs/dbraw/zinc/20/61/68/520206168.db2.gz FXLCHAHQBTVRRJ-LISDSOCTSA-N 0 0 444.984 5.630 50 30 IKEARN CCCCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000008454836 520247711 /nfs/dbraw/zinc/24/77/11/520247711.db2.gz FETMZSSJZUELET-GEECTANVSA-N 0 0 446.631 8.045 50 30 IKEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002390663 520249938 /nfs/dbraw/zinc/24/99/38/520249938.db2.gz PTRPJJTZUCKBIM-YDZHTSKRSA-N 0 0 435.380 5.992 50 30 IKEARN CC1(C)CC(=O)C([C@@H]2c3cc(Br)ccc3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000001097788 520252170 /nfs/dbraw/zinc/25/21/70/520252170.db2.gz KKGFFQSFDZJSEK-IBGZPJMESA-N 0 0 445.353 5.770 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O ZINC000059387306 520257709 /nfs/dbraw/zinc/25/77/09/520257709.db2.gz HGQREQVFYITSMS-UHFFFAOYSA-N 0 0 444.369 5.128 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 ZINC000019537723 520258190 /nfs/dbraw/zinc/25/81/90/520258190.db2.gz IQQGVXGHPFVZJJ-UHFFFAOYSA-N 0 0 428.370 5.422 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cc(Cl)cc2c1OCOC2 ZINC000000718334 520259473 /nfs/dbraw/zinc/25/94/73/520259473.db2.gz ABUMMQZPAAXTEC-XMMPIXPASA-N 0 0 445.946 6.560 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(Cl)ccc1N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012856901 520259967 /nfs/dbraw/zinc/25/99/67/520259967.db2.gz PYHDSFIVPNGLHK-HXUWFJFHSA-N 0 0 432.307 6.124 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccccc4)nn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000021658674 520260490 /nfs/dbraw/zinc/26/04/90/520260490.db2.gz QOFOVDHFAAHVSP-HSZRJFAPSA-N 0 0 448.364 5.971 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(F)cc1 ZINC000009044078 520260553 /nfs/dbraw/zinc/26/05/53/520260553.db2.gz GXCUYFSLMHNBHP-FQEVSTJZSA-N 0 0 432.417 5.531 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc(Cl)cc4)nn3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000021658642 520260650 /nfs/dbraw/zinc/26/06/50/520260650.db2.gz MLWIDVCSXXXLDW-HSZRJFAPSA-N 0 0 438.358 6.515 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)s1)OCO3 ZINC000012349569 520260719 /nfs/dbraw/zinc/26/07/19/520260719.db2.gz NTBFWGIIHHNSGF-SFHVURJKSA-N 0 0 432.339 5.440 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccccc1 ZINC000021722103 520262107 /nfs/dbraw/zinc/26/21/07/520262107.db2.gz CTZAQFNJTNQTIO-UQBPGWFLSA-N 0 0 445.563 5.192 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccccn1 ZINC000012384441 520262230 /nfs/dbraw/zinc/26/22/30/520262230.db2.gz NLCMJXJYNAJVLZ-HHHXNRCGSA-N 0 0 437.543 5.467 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccco1 ZINC000021722421 520262366 /nfs/dbraw/zinc/26/23/66/520262366.db2.gz YNGBYQYKMGEOMO-XMMPIXPASA-N 0 0 430.479 5.876 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1cccs1 ZINC000021722260 520263046 /nfs/dbraw/zinc/26/30/46/520263046.db2.gz DDNHFMGKKCPSLG-HSZRJFAPSA-N 0 0 435.593 6.017 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4Cl)nn3[C@H]2c2ccccc2[N+](=O)[O-])C1 ZINC000000944337 520265730 /nfs/dbraw/zinc/26/57/30/520265730.db2.gz OOGZKDFCRIKQLE-FQEVSTJZSA-N 0 0 449.898 5.165 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000669790 520265915 /nfs/dbraw/zinc/26/59/15/520265915.db2.gz TYJRQKLPFPQHDD-DEOSSOPVSA-N 0 0 429.476 6.077 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000004199855 520265929 /nfs/dbraw/zinc/26/59/29/520265929.db2.gz IMDVVBCBLQUCTH-HXUWFJFHSA-N 0 0 449.352 5.366 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@H]2c1ccco1 ZINC000021722797 520266195 /nfs/dbraw/zinc/26/61/95/520266195.db2.gz HGFWPISOQPDINR-DEOSSOPVSA-N 0 0 448.544 5.285 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@@H]2c1ccco1 ZINC000012406651 520266474 /nfs/dbraw/zinc/26/64/74/520266474.db2.gz PKBRESAPLDCYQM-JWQCQUIFSA-N 0 0 440.499 5.765 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)cc1 ZINC000002030035 520269868 /nfs/dbraw/zinc/26/98/68/520269868.db2.gz QAWOXEBCEZIUIC-XMMPIXPASA-N 0 0 432.361 6.912 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@H]2c1ccccc1 ZINC000002417246 520271066 /nfs/dbraw/zinc/27/10/66/520271066.db2.gz YTBGEMBZTTWNQV-SFHVURJKSA-N 0 0 428.517 5.020 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(OCC(N)=O)cc1 ZINC000000780271 520272763 /nfs/dbraw/zinc/27/27/63/520272763.db2.gz FYYZKUXDIJYTDQ-SANMLTNESA-N 0 0 426.516 5.013 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850234 520273108 /nfs/dbraw/zinc/27/31/08/520273108.db2.gz NMLGVKZAYABCJW-FQEVSTJZSA-N 0 0 426.586 5.227 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850124 520273618 /nfs/dbraw/zinc/27/36/18/520273618.db2.gz JNIOXNAYSSONJO-LJQANCHMSA-N 0 0 431.005 5.872 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850885 520273965 /nfs/dbraw/zinc/27/39/65/520273965.db2.gz MUZOMRLUYQAWSG-LJQANCHMSA-N 0 0 431.005 5.872 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850891 520274649 /nfs/dbraw/zinc/27/46/49/520274649.db2.gz XJDHSOJMMPNYJU-OAQYLSRUSA-N 0 0 440.613 5.617 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 ZINC000036512858 520287571 /nfs/dbraw/zinc/28/75/71/520287571.db2.gz BMHURWSUBZKZTK-IBGZPJMESA-N 0 0 428.370 6.263 50 30 IKEARN CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3cccc(C)c3)cc2)cc1 ZINC000002553425 520338461 /nfs/dbraw/zinc/33/84/61/520338461.db2.gz WKXCBDIJWXAXPZ-YZSQISJMSA-N 0 0 447.560 5.324 50 30 IKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 ZINC000002320062 520397628 /nfs/dbraw/zinc/39/76/28/520397628.db2.gz FIZRWWQVCBKOJZ-IPQBESIJSA-N 0 0 445.972 5.027 50 30 IKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Br)ccc1OC)O2 ZINC000013655026 520416693 /nfs/dbraw/zinc/41/66/93/520416693.db2.gz SNSAQKHQFIFODM-NDENLUEZSA-N 0 0 446.341 5.011 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000016293762 520486464 /nfs/dbraw/zinc/48/64/64/520486464.db2.gz NYOLGTHMWYXCMV-IQGLISFBSA-N 0 0 449.522 5.149 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)cc(Cl)c1OC ZINC000100052417 520494201 /nfs/dbraw/zinc/49/42/01/520494201.db2.gz CTLPRDBXNZAWOG-GOSISDBHSA-N 0 0 438.351 5.169 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2ccc(O)c(C)c2)C1=O ZINC000036257907 520535284 /nfs/dbraw/zinc/53/52/84/520535284.db2.gz XYIGBPIBSYGOAJ-LICLKQGHSA-N 0 0 449.450 5.263 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=Nc1c(C)n[nH]c1C ZINC000013286186 520555025 /nfs/dbraw/zinc/55/50/25/520555025.db2.gz JACGFSGWKKACCZ-MGXYOJEMSA-N 0 0 448.017 5.454 50 30 IKEARN CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OCCOc1ccc(F)cc1 ZINC000012595643 520617941 /nfs/dbraw/zinc/61/79/41/520617941.db2.gz LTYYKTPGFCIJRD-NTUHNPAUSA-N 0 0 446.474 6.325 50 30 IKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000009601528 520629157 /nfs/dbraw/zinc/62/91/57/520629157.db2.gz OHUXDFROVCRHAM-STZFKDTASA-N 0 0 433.891 5.662 50 30 IKEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000012546810 520651137 /nfs/dbraw/zinc/65/11/37/520651137.db2.gz FDQXNUXWMXBEAZ-UHFFFAOYSA-N 0 0 439.309 5.346 50 30 IKEARN CCOc1cc(C#N)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OCC ZINC000012411334 520651835 /nfs/dbraw/zinc/65/18/35/520651835.db2.gz JBGZBGHIRTWEBQ-UHFFFAOYSA-N 0 0 437.323 5.460 50 30 IKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)ccc1OC ZINC000021349709 520778586 /nfs/dbraw/zinc/77/85/86/520778586.db2.gz QBUAXCKLUMGEGR-VOIUYBSRSA-N 0 0 446.503 5.054 50 30 IKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000028052477 520779991 /nfs/dbraw/zinc/77/99/91/520779991.db2.gz KZEZWLRCMNIYKK-MZNJEOGPSA-N 0 0 446.503 5.054 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000008415091 520804965 /nfs/dbraw/zinc/80/49/65/520804965.db2.gz ASMXLAJFKACSDY-NRFANRHFSA-N 0 0 428.866 5.225 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000010013488 520805350 /nfs/dbraw/zinc/80/53/50/520805350.db2.gz FJSMDQJXVWOXQR-OAQYLSRUSA-N 0 0 428.866 5.225 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001082100 520814454 /nfs/dbraw/zinc/81/44/54/520814454.db2.gz KCENSAJUJSBWMW-WZONZLPQSA-N 0 0 436.939 5.048 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Br)C2=C(CC(C)(C)CC2=O)N1 ZINC000000823440 520814859 /nfs/dbraw/zinc/81/48/59/520814859.db2.gz KJYBMQWDXCWJHZ-LJQANCHMSA-N 0 0 432.358 5.005 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000001129676 520817759 /nfs/dbraw/zinc/81/77/59/520817759.db2.gz QMXFSNDVGFEAOF-AVRWGWEMSA-N 0 0 449.522 5.656 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019638545 520818522 /nfs/dbraw/zinc/81/85/22/520818522.db2.gz MDKPGMFAWUMHKT-FQRUVTKNSA-N 0 0 443.543 5.240 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019855324 520819966 /nfs/dbraw/zinc/81/99/66/520819966.db2.gz PUMHXNHZVUZKGS-NBGIEHNGSA-N 0 0 433.523 5.387 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000000626646 520820015 /nfs/dbraw/zinc/82/00/15/520820015.db2.gz CIBONHSIKNWTJP-FQEVSTJZSA-N 0 0 434.363 5.837 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000001129672 520820171 /nfs/dbraw/zinc/82/01/71/520820171.db2.gz QMXFSNDVGFEAOF-CJAUYULYSA-N 0 0 449.522 5.656 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001184786 520821260 /nfs/dbraw/zinc/82/12/60/520821260.db2.gz XXKWQIVCAMYFML-SBUREZEXSA-N 0 0 439.552 5.448 50 30 IKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000000708827 520824218 /nfs/dbraw/zinc/82/42/18/520824218.db2.gz VEMXZDDCIZHGKV-NVQXNPDNSA-N 0 0 443.543 5.044 50 30 biogenic IKEARN CC1=Nc2nc3ccccc3n2[C@H](c2c(Cl)cccc2Cl)C1C(=O)c1ccccc1 ZINC000012416594 520826410 /nfs/dbraw/zinc/82/64/10/520826410.db2.gz CFSPBNVFVLNTSC-QFIPXVFZSA-N 0 0 434.326 6.515 50 30 IKEARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000013070541 520837517 /nfs/dbraw/zinc/83/75/17/520837517.db2.gz SJLVPQNQLYMVGV-UHFFFAOYSA-N 0 0 448.592 5.201 50 30 IKEARN CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N)cc1 ZINC000020840609 520848112 /nfs/dbraw/zinc/84/81/12/520848112.db2.gz VSWPJAUKBWZWIT-UHFFFAOYSA-N 0 0 442.544 5.228 50 30 IKEARN CCCCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000031854479 520854918 /nfs/dbraw/zinc/85/49/18/520854918.db2.gz PTBDRGLQUZKDTB-XKZIYDEJSA-N 0 0 430.371 6.198 50 30 IKEARN CCOc1ccc(Br)cc1/C=N/c1ccc(I)cc1 ZINC000100221315 520863297 /nfs/dbraw/zinc/86/32/97/520863297.db2.gz GYMZAQRPQZNKRE-VCHYOVAHSA-N 0 0 430.083 5.203 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1 ZINC000008915651 520872065 /nfs/dbraw/zinc/87/20/65/520872065.db2.gz VTXPLMDXKUBAQA-PGMHBOJBSA-N 0 0 445.540 6.136 50 30 IKEARN CCOc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC ZINC000050647522 520872404 /nfs/dbraw/zinc/87/24/04/520872404.db2.gz FDOJQKQQIGJHAO-ZHZULCJRSA-N 0 0 437.499 5.875 50 30 IKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000000702366 520877768 /nfs/dbraw/zinc/87/77/68/520877768.db2.gz SFXMYOXEFIRAGI-VWLOTQADSA-N 0 0 441.527 5.215 50 30 IKEARN CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000058268775 520879513 /nfs/dbraw/zinc/87/95/13/520879513.db2.gz GTRFNHUQKVSITM-XDJHFCHBSA-N 0 0 434.583 7.261 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984316 520883247 /nfs/dbraw/zinc/88/32/47/520883247.db2.gz KETRRTIIVDBXNG-UHFFFAOYSA-N 0 0 439.920 5.388 50 30 IKEARN CCN(CC)c1ccc(/N=C2\C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)c(C)c1 ZINC000100005380 520884189 /nfs/dbraw/zinc/88/41/89/520884189.db2.gz ZYKBEIDPRRYKKQ-URGPHPNLSA-N 0 0 437.543 5.723 50 30 IKEARN CC1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1 ZINC000012566381 520901003 /nfs/dbraw/zinc/90/10/03/520901003.db2.gz CDBOJGPJMRWNAJ-IZKYPSLPSA-N 0 0 426.170 7.766 50 30 IKEARN CCOc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1-n1nc2ccccc2n1 ZINC000012412254 521013210 /nfs/dbraw/zinc/01/32/10/521013210.db2.gz QHHVKIMWPPSMSJ-UHFFFAOYSA-N 0 0 441.560 5.257 50 30 IKEARN CCOc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984231 521041069 /nfs/dbraw/zinc/04/10/69/521041069.db2.gz PDDRZFUAUJHIIU-UHFFFAOYSA-N 0 0 439.920 5.388 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000036093498 521117626 /nfs/dbraw/zinc/11/76/26/521117626.db2.gz ZPBMBACIKDGMLR-KVZWLNNISA-N 0 0 429.973 5.373 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000008995745 521168227 /nfs/dbraw/zinc/16/82/27/521168227.db2.gz XXOXHKPAFDFNLX-ZTOMLWHTSA-N 0 0 436.555 6.306 50 30 IKEARN CCOc1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 ZINC000013576529 521241666 /nfs/dbraw/zinc/24/16/66/521241666.db2.gz FGZPNPTYWDRTON-NRFANRHFSA-N 0 0 443.543 5.454 50 30 biogenic IKEARN CCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000013582832 521256273 /nfs/dbraw/zinc/25/62/73/521256273.db2.gz NVHYTASQZUFVJY-LXYRJJAWSA-N 0 0 444.398 5.392 50 30 IKEARN CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984339 521273501 /nfs/dbraw/zinc/27/35/01/521273501.db2.gz IXQGQHOXWGROAO-UHFFFAOYSA-N 0 0 449.547 6.126 50 30 IKEARN CCCCc1ccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984188 521273969 /nfs/dbraw/zinc/27/39/69/521273969.db2.gz IVGVAQUUBDCXKO-UHFFFAOYSA-N 0 0 447.556 5.688 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000021660453 521276140 /nfs/dbraw/zinc/27/61/40/521276140.db2.gz IZMNHMUWDJVXOA-KOSHJBKYSA-N 0 0 430.504 5.349 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4Cl)c3c2C1 ZINC000025559717 521363669 /nfs/dbraw/zinc/36/36/69/521363669.db2.gz LFXXQLWGGFPIDY-BTYNUJMBSA-N 0 0 447.435 6.985 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1 ZINC000038206506 521363831 /nfs/dbraw/zinc/36/38/31/521363831.db2.gz XGARXZOHWZUNPN-AMUFHYMTSA-N 0 0 428.605 6.832 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1 ZINC000038206507 521366040 /nfs/dbraw/zinc/36/60/40/521366040.db2.gz XGARXZOHWZUNPN-XNGBXZAESA-N 0 0 428.605 6.832 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc5ccccc5c4)c3c2C1 ZINC000025559705 521366088 /nfs/dbraw/zinc/36/60/88/521366088.db2.gz CKEDGCDUCJJIIR-ONWZCDOSSA-N 0 0 442.632 7.222 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1 ZINC000012561337 521366679 /nfs/dbraw/zinc/36/66/79/521366679.db2.gz ZMUWKRLESJFUPP-VHAYKOJPSA-N 0 0 447.435 6.985 50 30 IKEARN CCCc1cc(SCC(=O)Nc2ccc(C)c(C)c2)n2c3ccccc3nc2c1C#N ZINC000012689790 521385676 /nfs/dbraw/zinc/38/56/76/521385676.db2.gz RUCHGZGQDTYGCP-UHFFFAOYSA-N 0 0 428.561 5.659 50 30 IKEARN CCCc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000012689799 521386540 /nfs/dbraw/zinc/38/65/40/521386540.db2.gz LYGBNELFITYZJT-UHFFFAOYSA-N 0 0 448.979 6.004 50 30 IKEARN CCCc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3cccc4cccnc43)c2)s1 ZINC000036611173 521388463 /nfs/dbraw/zinc/38/84/63/521388463.db2.gz ZIOAYFAMYBHUHZ-JLHYYAGUSA-N 0 0 443.568 6.733 50 30 IKEARN CCOC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000020365487 521426898 /nfs/dbraw/zinc/42/68/98/521426898.db2.gz DDYLKJXVDMNKCU-UHFFFAOYSA-N 0 0 426.303 5.716 50 30 IKEARN CCOc1ccccc1NC(=NCc1ccc(OC)c(OC)c1)SCc1ccccc1 ZINC000009539937 521449852 /nfs/dbraw/zinc/44/98/52/521449852.db2.gz APFQFOJLCHVPHU-UHFFFAOYSA-N 0 0 436.577 5.813 50 30 IKEARN CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N\c1ccc2c(c1)Cc1ccccc1-2 ZINC000009065095 521449689 /nfs/dbraw/zinc/44/96/89/521449689.db2.gz LBSYYJRAQHJKTH-CCFHIKDMSA-N 0 0 430.507 6.287 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1cccc2ccccc21 ZINC000008385146 521529628 /nfs/dbraw/zinc/52/96/28/521529628.db2.gz SIDJDATZBYQNHC-MCMRFMRISA-N 0 0 431.561 5.437 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C#N)c1)n2CCCOC(C)C ZINC000023333525 521533289 /nfs/dbraw/zinc/53/32/89/521533289.db2.gz UURQXEWSQJEWOX-UHFFFAOYSA-N 0 0 437.565 5.192 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c(C)nn(-c3ccccc3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000021658608 521581536 /nfs/dbraw/zinc/58/15/36/521581536.db2.gz NZPAMPAPOOIXTO-XMMPIXPASA-N 0 0 427.548 5.780 50 30 IKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000028052176 521592422 /nfs/dbraw/zinc/59/24/22/521592422.db2.gz PQEBVYHGFABDDH-HJPURHCSSA-N 0 0 434.923 5.993 50 30 IKEARN CCOc1ccccc1[C@H]1c2c(C)nn(-c3ccccc3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000021658607 521592634 /nfs/dbraw/zinc/59/26/34/521592634.db2.gz NZPAMPAPOOIXTO-DEOSSOPVSA-N 0 0 427.548 5.780 50 30 IKEARN CCOC(=O)c1oc2ccc(/C=N/CCc3ccc(OC)c(OC)c3)c(Cl)c2c1C ZINC000009943244 521607898 /nfs/dbraw/zinc/60/78/98/521607898.db2.gz DEDXIKBAIDKRTE-DHRITJCHSA-N 0 0 429.900 5.250 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012563296 521617267 /nfs/dbraw/zinc/61/72/67/521617267.db2.gz OSEUYHUNOPAQFS-SFHVURJKSA-N 0 0 429.969 6.087 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000012520213 521635834 /nfs/dbraw/zinc/63/58/34/521635834.db2.gz CVLCXEYQWASSSI-YJYMSZOUSA-N 0 0 426.508 5.000 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000012520214 521635945 /nfs/dbraw/zinc/63/59/45/521635945.db2.gz CVLCXEYQWASSSI-ORAYPTAESA-N 0 0 426.508 5.000 50 30 IKEARN CCC/N=C1C(=N\CCC)\S/C(=N\N=C\c2ccccc2O)N\1c1ccc(F)cc1 ZINC000008399241 521658891 /nfs/dbraw/zinc/65/88/91/521658891.db2.gz IKJDNYYQMRVVCM-FDRJWJLXSA-N 0 0 425.533 5.092 50 30 IKEARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000058989386 521693174 /nfs/dbraw/zinc/69/31/74/521693174.db2.gz NQWXNQWTBURGDJ-FQEVSTJZSA-N 0 0 438.936 5.041 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)S/C1=N\c1ccccc1 ZINC000015010506 521698504 /nfs/dbraw/zinc/69/85/04/521698504.db2.gz YQYIDYWBMUZUQE-JTUXUYRKSA-N 0 0 438.593 6.134 50 30 IKEARN CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 ZINC000036611431 521791985 /nfs/dbraw/zinc/79/19/85/521791985.db2.gz FWZNZNGVRZHARY-LSFURLLWSA-N 0 0 430.839 5.117 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000036611384 521792316 /nfs/dbraw/zinc/79/23/16/521792316.db2.gz DVBGUJIQDKOKGR-GZIVZEMBSA-N 0 0 447.294 5.689 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000036611446 521794488 /nfs/dbraw/zinc/79/44/88/521794488.db2.gz RRIGFOISINUVTF-GZIVZEMBSA-N 0 0 447.294 5.689 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000036611397 521794647 /nfs/dbraw/zinc/79/46/47/521794647.db2.gz HOKXCGCPWDHIQJ-NUGSKGIGSA-N 0 0 440.903 5.652 50 30 IKEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000036611331 521795115 /nfs/dbraw/zinc/79/51/15/521795115.db2.gz FXRQDCQTUQKCFA-LSFURLLWSA-N 0 0 426.876 5.344 50 30 IKEARN COC(=O)c1cc(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)ccc1Cl ZINC000008722623 521795053 /nfs/dbraw/zinc/79/50/53/521795053.db2.gz CSFYAEOQCGMZFA-IOXBOXJCSA-N 0 0 444.743 5.528 50 30 IKEARN CCSc1nncn1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000020617966 521799106 /nfs/dbraw/zinc/79/91/06/521799106.db2.gz HPVKWOCALIRKMB-QPSGOUHRSA-N 0 0 431.732 5.405 50 30 IKEARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)/C=C/c1cc(Cl)cc(Cl)c1OC ZINC000002065378 521837353 /nfs/dbraw/zinc/83/73/53/521837353.db2.gz XZWYIFJCMITUSW-GGWOSOGESA-N 0 0 432.130 6.613 50 30 IKEARN CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021355960 521892717 /nfs/dbraw/zinc/89/27/17/521892717.db2.gz VGVXVFRZFLVXMX-RUZDIDTESA-N 0 0 427.504 6.054 50 30 IKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccc(Cl)cc1 ZINC000035812647 521893388 /nfs/dbraw/zinc/89/33/88/521893388.db2.gz PBWIWPQQXCPWJQ-UHFFFAOYSA-N 0 0 447.966 6.102 50 30 IKEARN CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2cccc(Cl)c2)C1=O ZINC000003041567 521908066 /nfs/dbraw/zinc/90/80/66/521908066.db2.gz LDPJGHPSBUMJHN-QYQHSDTDSA-N 0 0 448.979 5.140 50 30 IKEARN COc1cc(/C=C(\C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc(OC)c1O ZINC000050575435 521921681 /nfs/dbraw/zinc/92/16/81/521921681.db2.gz RHECHUGVNDOIJO-GZTJUZNOSA-N 0 0 434.879 5.363 50 30 IKEARN COc1cc(/C=C/C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000036611186 521936190 /nfs/dbraw/zinc/93/61/90/521936190.db2.gz XLIAOARFORVNGW-WEVVVXLNSA-N 0 0 441.936 5.632 50 30 IKEARN COc1cc(/C=C/C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(Cl)c1OC(C)C ZINC000012684770 521937500 /nfs/dbraw/zinc/93/75/00/521937500.db2.gz OQQUIKPMQKEFJH-ZHACJKMWSA-N 0 0 437.927 5.480 50 30 IKEARN CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O ZINC000001429784 521940006 /nfs/dbraw/zinc/94/00/06/521940006.db2.gz XMIISBOWIQSXLS-QAPCUYQASA-N 0 0 429.347 5.187 50 30 IKEARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N ZINC000098087008 521971396 /nfs/dbraw/zinc/97/13/96/521971396.db2.gz VXXUPQJEESMHMU-NVMNQCDNSA-N 0 0 449.315 5.141 50 30 IKEARN COc1cc(/C=N/c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c([N+](=O)[O-])cc1OC ZINC000004178088 522003049 /nfs/dbraw/zinc/00/30/49/522003049.db2.gz VFRLWVQDMRBOSH-ZMOGYAJESA-N 0 0 439.855 5.268 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl ZINC000031854373 522006678 /nfs/dbraw/zinc/00/66/78/522006678.db2.gz IZMGLWCEYKMBCG-WGARJPEWSA-N 0 0 449.963 6.497 50 30 IKEARN COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000013072470 522046702 /nfs/dbraw/zinc/04/67/02/522046702.db2.gz GGDNSPPZWFAFMK-JLHYYAGUSA-N 0 0 441.310 6.255 50 30 IKEARN COc1cc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1O ZINC000012865713 522049408 /nfs/dbraw/zinc/04/94/08/522049408.db2.gz PKYMNHSMEASGPH-RMKNXTFCSA-N 0 0 425.824 5.651 50 30 IKEARN COc1cc(C)c(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C ZINC000100319193 522182946 /nfs/dbraw/zinc/18/29/46/522182946.db2.gz QEKANXFTDOFSFP-AGGBOBLOSA-N 0 0 434.605 6.674 50 30 IKEARN CN(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000024831505 522405975 /nfs/dbraw/zinc/40/59/75/522405975.db2.gz ZYTUIPUGIQCYEC-UHFFFAOYSA-N 0 0 448.470 5.637 50 30 IKEARN COc1cc(F)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000085413364 522590997 /nfs/dbraw/zinc/59/09/97/522590997.db2.gz MQSYXWTUEHCXBE-AREMUKBSSA-N 0 0 431.507 6.306 50 30 IKEARN COc1cc(OC)cc(-c2cc(/C=C\c3ccccc3)c(C#N)c3nc4ccccc4n32)c1 ZINC000033614409 522837194 /nfs/dbraw/zinc/83/71/94/522837194.db2.gz BFCDVIXKIYVOAA-SEYXRHQNSA-N 0 0 431.495 6.214 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000025694986 522877220 /nfs/dbraw/zinc/87/72/20/522877220.db2.gz DHFHSIULJLOUCM-DEOSSOPVSA-N 0 0 449.522 5.182 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1 ZINC000009010455 522880872 /nfs/dbraw/zinc/88/08/72/522880872.db2.gz HGIGHMZGXILPRD-RCDICMHDSA-N 0 0 427.953 5.245 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000000717037 522883691 /nfs/dbraw/zinc/88/36/91/522883691.db2.gz RFBYMWAFDRFDDM-XOBRGWDASA-N 0 0 447.478 5.302 50 30 IKEARN COc1cc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000001215700 522929175 /nfs/dbraw/zinc/92/91/75/522929175.db2.gz ZCEACTMKSLSULO-WINIVTDRSA-N 0 0 426.516 5.689 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000008445584 522929856 /nfs/dbraw/zinc/92/98/56/522929856.db2.gz JHZIQNXEODGTCH-DFXYEROKSA-N 0 0 447.534 6.621 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000000712725 522930131 /nfs/dbraw/zinc/93/01/31/522930131.db2.gz CXBANNODYSUWHE-MHZLTWQESA-N 0 0 441.527 6.083 50 30 IKEARN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000018324510 522962671 /nfs/dbraw/zinc/96/26/71/522962671.db2.gz HEQSNBCMHSCOIC-XMMPIXPASA-N 0 0 436.552 5.551 50 30 IKEARN COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1OC(C)=O ZINC000009433981 522967703 /nfs/dbraw/zinc/96/77/03/522967703.db2.gz QSUKHSAPCDIWRD-RUZDIDTESA-N 0 0 429.497 5.487 50 30 IKEARN COc1cc2c(cc1OC)-c1c(C#N)c(/N=N/c3ccccc3)c(-c3cccs3)n1CC2 ZINC000012340730 523020752 /nfs/dbraw/zinc/02/07/52/523020752.db2.gz JFNLTDTWQZFDQZ-BYYHNAKLSA-N 0 0 440.528 6.744 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1 ZINC000035363244 523076239 /nfs/dbraw/zinc/07/62/39/523076239.db2.gz WPJKKRRYFBKTIB-UHFFFAOYSA-N 0 0 447.966 6.102 50 30 IKEARN COc1ccc(-c2cc(/C(C)=N\OCc3ccc(F)cc3)c(C)n2-c2cccc(C)c2)cc1 ZINC000035843391 523088801 /nfs/dbraw/zinc/08/88/01/523088801.db2.gz RWFBDSRFTGHMNZ-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN COc1ccc(-c2cc(/C(C)=N\OCc3ccc(F)cc3)c(C)n2-c2ccccc2F)cc1 ZINC000035843380 523089288 /nfs/dbraw/zinc/08/92/88/523089288.db2.gz XWZBDQJVALTDIS-YKQZZPSBSA-N 0 0 446.497 6.680 50 30 IKEARN COc1ccc(-c2cc(/C(C)=N\OCc3ccc(C#N)cc3)c(C)n2-c2cccc(C)c2)cc1 ZINC000035843390 523089813 /nfs/dbraw/zinc/08/98/13/523089813.db2.gz UOGCMUXRJULHDZ-YQYKVWLJSA-N 0 0 449.554 6.582 50 30 IKEARN COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3F)c(C)n2-c2ccccc2F)cc1 ZINC000035843381 523090581 /nfs/dbraw/zinc/09/05/81/523090581.db2.gz ZPAJBZQUOGJSOE-YKQZZPSBSA-N 0 0 446.497 6.680 50 30 IKEARN COc1ccc(-c2cc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000021658645 523122985 /nfs/dbraw/zinc/12/29/85/523122985.db2.gz XNTUUJSWAIEBTQ-XMMPIXPASA-N 0 0 433.939 5.870 50 30 IKEARN COc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000016675907 523126948 /nfs/dbraw/zinc/12/69/48/523126948.db2.gz SFHBNSRSDZRFBW-MTJSOVHGSA-N 0 0 449.488 5.372 50 30 IKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)cc1OC ZINC000035847484 523263293 /nfs/dbraw/zinc/26/32/93/523263293.db2.gz KKEXUTGGIQODFN-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(C)c(I)c3)ccc21 ZINC000002937928 523274932 /nfs/dbraw/zinc/27/49/32/523274932.db2.gz JXIHQBARDLAAOR-ZVHZXABRSA-N 0 0 438.312 6.478 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2ccccc21 ZINC000008993428 523304151 /nfs/dbraw/zinc/30/41/51/523304151.db2.gz HIGJXBUSINTZNE-CVKSISIWSA-N 0 0 439.511 6.173 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)C2=O)c2ccccc21 ZINC000020648521 523304688 /nfs/dbraw/zinc/30/46/88/523304688.db2.gz FKXGRIWUNAQTNC-CVKSISIWSA-N 0 0 438.527 5.615 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 ZINC000009423577 523304926 /nfs/dbraw/zinc/30/49/26/523304926.db2.gz RJCNDIUKZRXYMB-SSALVRQISA-N 0 0 435.479 5.896 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000020649674 523305142 /nfs/dbraw/zinc/30/51/42/523305142.db2.gz CYWOHMRXGGESRQ-BIXBROTJSA-N 0 0 446.547 5.224 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000008993358 523307061 /nfs/dbraw/zinc/30/70/61/523307061.db2.gz AFELYTRGWXQTDL-DHRITJCHSA-N 0 0 439.467 5.505 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 ZINC000009423154 523307437 /nfs/dbraw/zinc/30/74/37/523307437.db2.gz FOPXAJBARZWKLR-OPEKNORGSA-N 0 0 447.893 6.649 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 ZINC000008992181 523307508 /nfs/dbraw/zinc/30/75/08/523307508.db2.gz IANJMAAMINZOIL-BRJLIKDPSA-N 0 0 447.893 6.649 50 30 IKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccccc3C)cc2-c2ccc(F)cc2)cc1 ZINC000035843472 523312826 /nfs/dbraw/zinc/31/28/26/523312826.db2.gz VKMXGHLDNVKVKR-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008888204 523359041 /nfs/dbraw/zinc/35/90/41/523359041.db2.gz HYENONJVQALLET-MIHXGWCRSA-N 0 0 426.343 6.727 50 30 IKEARN COc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1CSc1ccccn1 ZINC000036611163 523400354 /nfs/dbraw/zinc/40/03/54/523400354.db2.gz CYSLGLDJAFWMBY-RIYZIHGNSA-N 0 0 444.600 6.269 50 30 IKEARN COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1 ZINC000033665646 523411960 /nfs/dbraw/zinc/41/19/60/523411960.db2.gz NJORMWDVDORMNK-RMWKRFJVSA-N 0 0 440.543 6.073 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1 ZINC000217826468 523421700 /nfs/dbraw/zinc/42/17/00/523421700.db2.gz AEHDUFYLQRGKTI-CWGWECIMSA-N 0 0 444.508 5.474 50 30 biogenic IKEARN CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000013617241 523421878 /nfs/dbraw/zinc/42/18/78/523421878.db2.gz HUHMPQIMRFPRLA-BUMUASTJSA-N 0 0 447.560 5.101 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1 ZINC000016751620 523445996 /nfs/dbraw/zinc/44/59/96/523445996.db2.gz JGVCUKFHZOOTDO-CVKSISIWSA-N 0 0 446.507 5.656 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1OC ZINC000008872767 523447767 /nfs/dbraw/zinc/44/77/67/523447767.db2.gz UXBASONFVZDOHQ-CVKSISIWSA-N 0 0 449.963 6.594 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1Cl ZINC000003050068 523456260 /nfs/dbraw/zinc/45/62/60/523456260.db2.gz SLJYSRMPFGEODL-WYMPLXKRSA-N 0 0 441.712 6.670 50 30 IKEARN COc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(OC)c1 ZINC000016215454 523461883 /nfs/dbraw/zinc/46/18/83/523461883.db2.gz CBGRKBJHDIEXTQ-MYYYXRDXSA-N 0 0 426.582 5.457 50 30 IKEARN COc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000009034210 523467185 /nfs/dbraw/zinc/46/71/85/523467185.db2.gz ZYEATRUJSVVDHW-QEUXCTTPSA-N 0 0 431.539 6.802 50 30 IKEARN COc1ccc(/N=C2\[C@H](N3CCCCC3)C(C)(C)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000021152152 523473195 /nfs/dbraw/zinc/47/31/95/523473195.db2.gz SRPAIVWLEBJDKG-XIPYDIPCSA-N 0 0 425.960 5.306 50 30 IKEARN COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O ZINC000009303622 523490135 /nfs/dbraw/zinc/49/01/35/523490135.db2.gz RPOPSLBFHDWMSK-ZDLGFXPLSA-N 0 0 431.282 5.025 50 30 IKEARN COc1ccc(Br)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000000828730 523511272 /nfs/dbraw/zinc/51/12/72/523511272.db2.gz PZAYJGYNCHIXMY-XMMPIXPASA-N 0 0 434.333 6.284 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000009272169 523537861 /nfs/dbraw/zinc/53/78/61/523537861.db2.gz JKITYMNYIXNJLT-YIXHJXPBSA-N 0 0 437.835 5.372 50 30 IKEARN COc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984187 523572826 /nfs/dbraw/zinc/57/28/26/523572826.db2.gz AMINBBOGQZRHGI-UHFFFAOYSA-N 0 0 433.529 5.468 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)ccc2C)c1C ZINC000032971684 523638641 /nfs/dbraw/zinc/63/86/41/523638641.db2.gz AJTZCAPQPOPBOD-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN CCn1nccc1C(=O)/C=C/c1ccc(OC)c(COc2ccc(Br)cc2)c1 ZINC000019633250 523709713 /nfs/dbraw/zinc/70/97/13/523709713.db2.gz PLIDPALTLPQGIO-ONNFQVAWSA-N 0 0 441.325 5.149 50 30 IKEARN CN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000020470046 523738261 /nfs/dbraw/zinc/73/82/61/523738261.db2.gz KWBRNOSZNAIKEZ-KHOBFWCSSA-N 0 0 427.158 6.282 50 30 IKEARN CN(/N=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1)c1cccc(C(F)(F)F)n1 ZINC000012369063 523770025 /nfs/dbraw/zinc/77/00/25/523770025.db2.gz XBXANXGAIFFEFH-KBKYJPHKSA-N 0 0 429.389 6.318 50 30 IKEARN CN(/N=C\c1ccc(Br)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000032691015 523772198 /nfs/dbraw/zinc/77/21/98/523772198.db2.gz QKLDVRIKOJINSR-ONUIUJJFSA-N 0 0 443.348 6.043 50 30 IKEARN COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000015227171 523787273 /nfs/dbraw/zinc/78/72/73/523787273.db2.gz CFFJQCHIQBJBOM-GTZNUUOLSA-N 0 0 449.576 5.481 50 30 IKEARN CCc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1 ZINC000002073736 523873958 /nfs/dbraw/zinc/87/39/58/523873958.db2.gz NJKRWTLERJDADA-DADJGAKYSA-N 0 0 440.612 7.291 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000015018358 523874974 /nfs/dbraw/zinc/87/49/74/523874974.db2.gz YDCLQDJDJSNFFE-NMRWETQTSA-N 0 0 430.548 6.759 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 ZINC000101513203 523875316 /nfs/dbraw/zinc/87/53/16/523875316.db2.gz AINQTJXLCMPTIW-UINIZAEWSA-N 0 0 428.557 6.062 50 30 IKEARN CCc1ccc(/N=C2/S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 ZINC000012354254 523875898 /nfs/dbraw/zinc/87/58/98/523875898.db2.gz MKGALFJXTVPANF-LMDBJESCSA-N 0 0 431.355 5.254 50 30 IKEARN CCc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000013511070 523898366 /nfs/dbraw/zinc/89/83/66/523898366.db2.gz RZTRFLOLDMIBQM-REUBFRLUSA-N 0 0 429.523 5.659 50 30 IKEARN COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1sccc1C ZINC000012463225 523941668 /nfs/dbraw/zinc/94/16/68/523941668.db2.gz MVOLPQKOUHRUSD-LEWJYISDSA-N 0 0 432.545 5.204 50 30 IKEARN CCc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 ZINC000020575713 523962307 /nfs/dbraw/zinc/96/23/07/523962307.db2.gz UTIYPSMPTVCSNJ-STZFKDTASA-N 0 0 438.574 5.105 50 30 IKEARN CN(C)C=[NH+]C([O-])=C(c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl ZINC000012861374 523968439 /nfs/dbraw/zinc/96/84/39/523968439.db2.gz SMISJDSFXHUEBI-WLXKBATFSA-N 0 0 438.664 5.309 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000035817506 524007278 /nfs/dbraw/zinc/00/72/78/524007278.db2.gz JESQQNXVXJKARR-ZCPGDWHISA-N 0 0 433.523 5.529 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 ZINC000035973803 524008352 /nfs/dbraw/zinc/00/83/52/524008352.db2.gz RUCSBLGADDDLHI-GYDRKIPBSA-N 0 0 445.559 5.399 50 30 IKEARN CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 ZINC000021722831 524013441 /nfs/dbraw/zinc/01/34/41/524013441.db2.gz IAXIKTUSNGNIFA-RUZDIDTESA-N 0 0 448.544 5.211 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000008926755 524051722 /nfs/dbraw/zinc/05/17/22/524051722.db2.gz FXNBYLPGDWPUPX-WNSKOXEYSA-N 0 0 441.618 5.685 50 30 IKEARN COc1ccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)cc1 ZINC000035843455 524109831 /nfs/dbraw/zinc/10/98/31/524109831.db2.gz CJWXJTVYSXUJMS-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020646951 524115646 /nfs/dbraw/zinc/11/56/46/524115646.db2.gz WUEDDSYVZIQZJQ-FDRCZSESSA-N 0 0 425.528 6.050 50 30 IKEARN COc1ccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)cc1 ZINC000012952089 524123107 /nfs/dbraw/zinc/12/31/07/524123107.db2.gz CIPSXDRYWBSNIY-ANYBSYGZSA-N 0 0 441.478 6.507 50 30 IKEARN Cc1cccc(Nc2cc(NCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000009273935 524156629 /nfs/dbraw/zinc/15/66/29/524156629.db2.gz OQYUZQRARMFKNC-JBASAIQMSA-N 0 0 431.495 6.260 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1O ZINC000013568531 524186719 /nfs/dbraw/zinc/18/67/19/524186719.db2.gz LXXCBZMSVOQMKD-ODCWNRFASA-N 0 0 446.934 6.034 50 30 IKEARN Cc1ccc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000006244734 524208078 /nfs/dbraw/zinc/20/80/78/524208078.db2.gz OQZASONRRBHPCD-ZONZVBGPSA-N 0 0 429.523 5.588 50 30 IKEARN Cc1ccc(CNC(Nc2ccc(C(=O)[O-])cc2)=[NH+]CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065304874 524226809 /nfs/dbraw/zinc/22/68/09/524226809.db2.gz DVLPYYNERAKGGK-UHFFFAOYSA-N 0 0 445.607 5.857 50 30 IKEARN Cc1cccc(C)c1-n1c(-c2ccc(Cl)cc2)cnc1SCc1ccc(C#N)cc1 ZINC000012551672 524243855 /nfs/dbraw/zinc/24/38/55/524243855.db2.gz VEUMHIBBQNFMIN-UHFFFAOYSA-N 0 0 429.976 6.974 50 30 IKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 ZINC000020683601 524299751 /nfs/dbraw/zinc/29/97/51/524299751.db2.gz KHZHNLYHGABBRR-VJCOLUCKSA-N 0 0 446.576 5.050 50 30 IKEARN COc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc2C1=O ZINC000013627805 524321974 /nfs/dbraw/zinc/32/19/74/524321974.db2.gz KIBAHLQTUMZVBC-DICXZTSXSA-N 0 0 436.463 5.726 50 30 IKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)c(C)c1 ZINC000025558067 524328099 /nfs/dbraw/zinc/32/80/99/524328099.db2.gz SESRQIAIENIWCF-JLHYYAGUSA-N 0 0 440.948 5.929 50 30 IKEARN COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccccc3C(F)(F)F)cs2)cc1 ZINC000012865967 524338798 /nfs/dbraw/zinc/33/87/98/524338798.db2.gz XQUHFQTYXMWJDS-KPKJPENVSA-N 0 0 446.450 5.751 50 30 IKEARN COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000012900095 524339292 /nfs/dbraw/zinc/33/92/92/524339292.db2.gz LHVOLNHFJWJWRS-ONNFQVAWSA-N 0 0 447.343 6.039 50 30 IKEARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3sccc3C#N)n2n1 ZINC000012568785 524340905 /nfs/dbraw/zinc/34/09/05/524340905.db2.gz ANXRSYHSULQDCC-OAHLLOKOSA-N 0 0 433.562 5.066 50 30 IKEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943038 524409401 /nfs/dbraw/zinc/40/94/01/524409401.db2.gz ZVCMTAZOXAZFGL-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1cccc(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CCCC2=N3)c1 ZINC000020134245 524465131 /nfs/dbraw/zinc/46/51/31/524465131.db2.gz LSMFTTWUPJQQSG-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C ZINC000035843446 524491952 /nfs/dbraw/zinc/49/19/52/524491952.db2.gz WVUADNQOHKRPOS-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1OC ZINC000012250965 524508100 /nfs/dbraw/zinc/50/81/00/524508100.db2.gz LYIOWYZZMGUBIU-UHFFFAOYSA-N 0 0 439.924 5.022 50 30 IKEARN Cc1cccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1 ZINC000020558942 524529733 /nfs/dbraw/zinc/52/97/33/524529733.db2.gz YKQGSHWYOZVUKB-HMAPJEAMSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(Cl)c2)n1 ZINC000001176654 524580010 /nfs/dbraw/zinc/58/00/10/524580010.db2.gz KEFQWZYOJXNKTN-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021355939 524612163 /nfs/dbraw/zinc/61/21/63/524612163.db2.gz ZJXSAIKIUPADPQ-XMMPIXPASA-N 0 0 429.476 5.501 50 30 IKEARN COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021722360 524612371 /nfs/dbraw/zinc/61/23/71/524612371.db2.gz NUGJZDQWIIMPQF-XMMPIXPASA-N 0 0 445.544 5.969 50 30 IKEARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)c1 ZINC000012465377 524655223 /nfs/dbraw/zinc/65/52/23/524655223.db2.gz JEUWQKBPCPMTGM-WNMDNWPKSA-N 0 0 443.572 5.198 50 30 IKEARN COc1ccc(NC(=S)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000002553595 524664112 /nfs/dbraw/zinc/66/41/12/524664112.db2.gz XMDZHFHECJKLGJ-ZVHZXABRSA-N 0 0 425.941 5.248 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2)c1 ZINC000064873945 524665082 /nfs/dbraw/zinc/66/50/82/524665082.db2.gz ZWQGFFFWTRPOAI-QHCPKHFHSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000013147975 524668961 /nfs/dbraw/zinc/66/89/61/524668961.db2.gz WTCGDZPSPLEHQS-JOCHJYFZSA-N 0 0 430.964 6.123 50 30 IKEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12 ZINC000032943244 524728852 /nfs/dbraw/zinc/72/88/52/524728852.db2.gz VRYIAMGLEBGORK-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)c1 ZINC000012419017 524764829 /nfs/dbraw/zinc/76/48/29/524764829.db2.gz ZVHIHHTYHFAWBF-UHFFFAOYSA-N 0 0 429.432 5.035 50 30 IKEARN COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 ZINC000012745318 524803090 /nfs/dbraw/zinc/80/30/90/524803090.db2.gz GSRYHTAHKLCQAW-VMPITWQZSA-N 0 0 444.459 5.019 50 30 IKEARN Cc1cccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1 ZINC000064775585 524841512 /nfs/dbraw/zinc/84/15/12/524841512.db2.gz PJGBDQYDPQSIBK-XMMPIXPASA-N 0 0 426.520 5.083 50 30 IKEARN Cc1cc(Cl)ccc1/N=C/N(C)SN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071770457 524879337 /nfs/dbraw/zinc/87/93/37/524879337.db2.gz TVROFFSRAAJUHB-CIAFOILYSA-N 0 0 446.425 5.556 50 30 IKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)c1 ZINC000009559870 524891598 /nfs/dbraw/zinc/89/15/98/524891598.db2.gz VBOMNYVAOUBMGG-BLLLJJGKSA-N 0 0 446.330 5.015 50 30 IKEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 ZINC000002615878 524897850 /nfs/dbraw/zinc/89/78/50/524897850.db2.gz VEFOAIMQKHAPHP-UHFFFAOYSA-N 0 0 437.594 5.246 50 30 IKEARN COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000709524 524899263 /nfs/dbraw/zinc/89/92/63/524899263.db2.gz GCVGKBWXCHEOJV-CLYVBNDRSA-N 0 0 426.516 5.683 50 30 IKEARN C[C@H](NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000020551333 524967630 /nfs/dbraw/zinc/96/76/30/524967630.db2.gz MXKVYUBQYKKLMX-STPJHCLOSA-N 0 0 437.337 5.456 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(C)c1 ZINC000021355929 525152001 /nfs/dbraw/zinc/15/20/01/525152001.db2.gz WFQQXUQZBXQPTN-RUZDIDTESA-N 0 0 427.504 6.109 50 30 IKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c2ccccc12 ZINC000100349408 525169325 /nfs/dbraw/zinc/16/93/25/525169325.db2.gz OORKKSKEWRJWDI-XMMPIXPASA-N 0 0 448.559 5.708 50 30 IKEARN Cc1ccccc1CSC1=Nc2ccccc2C1=NNc1cccc(C(F)(F)F)c1 ZINC000012955517 525181293 /nfs/dbraw/zinc/18/12/93/525181293.db2.gz RTJIGIMRMGGWQM-ANYBSYGZSA-N 0 0 425.479 6.807 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020849999 525186277 /nfs/dbraw/zinc/18/62/77/525186277.db2.gz JUKDLBOOVVEHSI-QFIPXVFZSA-N 0 0 448.567 5.676 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2 ZINC000009856536 525186828 /nfs/dbraw/zinc/18/68/28/525186828.db2.gz MKRBBJFMQOFVSE-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020849996 525187514 /nfs/dbraw/zinc/18/75/14/525187514.db2.gz JUKDLBOOVVEHSI-JOCHJYFZSA-N 0 0 448.567 5.676 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850061 525187606 /nfs/dbraw/zinc/18/76/06/525187606.db2.gz DNIAJIIBCUUTBY-HXUWFJFHSA-N 0 0 436.606 5.598 50 30 IKEARN Cc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000020558940 525219172 /nfs/dbraw/zinc/21/91/72/525219172.db2.gz HYSPFRWGUZDIHS-HMAPJEAMSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12 ZINC000032943165 525219966 /nfs/dbraw/zinc/21/99/66/525219966.db2.gz GQADRNJCDWLNDI-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000065165011 525227193 /nfs/dbraw/zinc/22/71/93/525227193.db2.gz VVIRSLMAFQMSQF-JOCHJYFZSA-N 0 0 446.576 5.237 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccs3)C2)cc1 ZINC000006157000 525233133 /nfs/dbraw/zinc/23/31/33/525233133.db2.gz IADRAYWMJXEQEO-FYSMJZIKSA-N 0 0 427.529 5.522 50 30 IKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O ZINC000000793481 525268128 /nfs/dbraw/zinc/26/81/28/525268128.db2.gz MKWYUHYBWXUTCR-MHZLTWQESA-N 0 0 441.527 6.083 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1O ZINC000000815821 525268508 /nfs/dbraw/zinc/26/85/08/525268508.db2.gz ZUFFGJVOIPXCQQ-WINIVTDRSA-N 0 0 426.516 5.689 50 30 IKEARN Cc1cc([O-])c(C[N@H+](C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020649337 525312326 /nfs/dbraw/zinc/31/23/26/525312326.db2.gz VIUPTGSGSRJIOU-OYKKKHCWSA-N 0 0 425.484 5.695 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000245227745 525348483 /nfs/dbraw/zinc/34/84/83/525348483.db2.gz UILXPFRZQGQVFT-IWOXOBLGSA-N 0 0 442.546 6.174 50 30 biogenic IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl ZINC000020602264 525351002 /nfs/dbraw/zinc/35/10/02/525351002.db2.gz KAZZDRRNZVOQBJ-LYTUFYRVSA-N 0 0 441.402 7.030 50 30 IKEARN Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3c3cccs3)o2)ccc1Cl ZINC000036611443 525374209 /nfs/dbraw/zinc/37/42/09/525374209.db2.gz LGMOIRFOJJBBIQ-UFFVCSGVSA-N 0 0 430.942 5.311 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000001080670 525390768 /nfs/dbraw/zinc/39/07/68/525390768.db2.gz JQWFQKQZQDOHLD-DEOSSOPVSA-N 0 0 425.488 5.225 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000009559909 525396122 /nfs/dbraw/zinc/39/61/22/525396122.db2.gz HRGKDTWDANVPNH-CABCVRRESA-N 0 0 446.330 5.015 50 30 IKEARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000012300246 525396153 /nfs/dbraw/zinc/39/61/53/525396153.db2.gz VAMHZHTWAFUJNL-MUUNZHRXSA-N 0 0 448.566 5.387 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1 ZINC000009560045 525396375 /nfs/dbraw/zinc/39/63/75/525396375.db2.gz VMJSNTZIJYYPPK-YKSBVNFPSA-N 0 0 439.511 5.492 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC ZINC000000709671 525397762 /nfs/dbraw/zinc/39/77/62/525397762.db2.gz BMGCNEXJQXCUPY-WXTAPIANSA-N 0 0 427.504 5.078 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000000630713 525397903 /nfs/dbraw/zinc/39/79/03/525397903.db2.gz LYLCHAAMYDNCQX-PIIWDFAUSA-N 0 0 439.559 5.741 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC ZINC000013568523 525398358 /nfs/dbraw/zinc/39/83/58/525398358.db2.gz SZVJJKBBXRRTCE-WGDIFIGCSA-N 0 0 430.504 5.585 50 30 IKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O ZINC000009601031 525429977 /nfs/dbraw/zinc/42/99/77/525429977.db2.gz NKJHSBJSERJWFG-IIMAJNMQSA-N 0 0 447.534 6.621 50 30 IKEARN COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1OC ZINC000001060676 525431191 /nfs/dbraw/zinc/43/11/91/525431191.db2.gz TWFIOUYTMFCUQM-XMMPIXPASA-N 0 0 425.488 5.334 50 30 IKEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3Cl)nn21 ZINC000009856513 525433462 /nfs/dbraw/zinc/43/34/62/525433462.db2.gz FRYCUHWHCCWHRC-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000012300244 525448695 /nfs/dbraw/zinc/44/86/95/525448695.db2.gz VAMHZHTWAFUJNL-NDEPHWFRSA-N 0 0 448.566 5.387 50 30 IKEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000012378369 525484143 /nfs/dbraw/zinc/48/41/43/525484143.db2.gz XHEMTJHLXFQYJQ-UHFFFAOYSA-N 0 0 429.339 5.005 50 30 IKEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc(Br)cc3)[C@H]1CC2 ZINC000012342759 525508957 /nfs/dbraw/zinc/50/89/57/525508957.db2.gz WORYLAZEPKLIAL-AHGRHQQFSA-N 0 0 439.353 5.274 50 30 IKEARN COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3cccc(C)c3C)n1)C2=O ZINC000012821052 525510340 /nfs/dbraw/zinc/51/03/40/525510340.db2.gz MBDMPPYGRDRUIW-UNOMPAQXSA-N 0 0 432.545 5.666 50 30 IKEARN Cc1ccc(S(=O)(=O)N(SN(C)/C=N/c2ccc(Cl)cc2C)C(C)(C)C)cc1 ZINC000071770456 525514171 /nfs/dbraw/zinc/51/41/71/525514171.db2.gz ALSQDQBTDAMPLB-HYARGMPZSA-N 0 0 440.034 5.601 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000001480456 525521331 /nfs/dbraw/zinc/52/13/31/525521331.db2.gz JFBZUEFIDNWSEY-DHRITJCHSA-N 0 0 426.303 5.802 50 30 IKEARN Cc1c(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000711175 525522447 /nfs/dbraw/zinc/52/24/47/525522447.db2.gz NXQGDFSZBZGREB-JVWAILMASA-N 0 0 445.906 5.108 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000020607798 525533917 /nfs/dbraw/zinc/53/39/17/525533917.db2.gz SZBWKZHLROZHJQ-UAXVYIRVSA-N 0 0 432.560 5.831 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc2oc(-c3ccccc3)nc2c1 ZINC000027472156 525534695 /nfs/dbraw/zinc/53/46/95/525534695.db2.gz VCIYUVFLXGPEJK-WKULSOCRSA-N 0 0 443.466 5.932 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccccc3OC(F)F)cc2)cc1 ZINC000013133686 525597326 /nfs/dbraw/zinc/59/73/26/525597326.db2.gz BASBCDVYIVEQBY-XNTDXEJSSA-N 0 0 443.471 5.293 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4F)c3C)C1=O)cn2C ZINC000028182482 525599614 /nfs/dbraw/zinc/59/96/14/525599614.db2.gz RNZYUJBZGAKCMM-ROTLSHHCSA-N 0 0 443.474 5.830 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cc(C)ccc4C)ccc3C1=O)cn2C ZINC000008992024 525600125 /nfs/dbraw/zinc/60/01/25/525600125.db2.gz MZNFHAVAKVNQEW-KKMKTNMSSA-N 0 0 439.511 5.999 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cc(C)ccc4C)ccc3C1=O)cn2C ZINC000028182474 525600355 /nfs/dbraw/zinc/60/03/55/525600355.db2.gz MZNFHAVAKVNQEW-PPDIBHTLSA-N 0 0 439.511 5.999 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)C4CCCCC4)ccc3C1=O)cn2C ZINC000009421052 525600849 /nfs/dbraw/zinc/60/08/49/525600849.db2.gz CTPUORKZJJHVLL-WYMPLXKRSA-N 0 0 431.488 5.289 50 30 IKEARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 ZINC000013653818 525626108 /nfs/dbraw/zinc/62/61/08/525626108.db2.gz IQGMRFWZLVWOJG-MTJSOVHGSA-N 0 0 426.877 5.032 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Sc2ccc(F)cc2)cc1 ZINC000032828923 525628459 /nfs/dbraw/zinc/62/84/59/525628459.db2.gz MUJFHYBDVPHPJZ-NRFANRHFSA-N 0 0 449.532 5.267 50 30 IKEARN Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1 ZINC000011859495 525642155 /nfs/dbraw/zinc/64/21/55/525642155.db2.gz KDPFSKFPHBXNGJ-YYDJUVGSSA-N 0 0 433.554 5.354 50 30 IKEARN COc1ccc2ccccc2c1C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O ZINC000103721190 525649980 /nfs/dbraw/zinc/64/99/80/525649980.db2.gz SGVZIVZKDURNPV-UHFFFAOYSA-N 0 0 448.559 6.334 50 30 IKEARN Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1 ZINC000001446276 525665344 /nfs/dbraw/zinc/66/53/44/525665344.db2.gz OEYYIIQKGKVDPR-ILBGXUMGSA-N 0 0 441.512 5.694 50 30 IKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 ZINC000015978900 525670941 /nfs/dbraw/zinc/67/09/41/525670941.db2.gz FBAHZRWNPAFDAT-RUDMXATFSA-N 0 0 433.485 5.722 50 30 IKEARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccc(Cl)cc4)nc3c12 ZINC000009341177 525678693 /nfs/dbraw/zinc/67/86/93/525678693.db2.gz PKHLUYCZHLGVNA-LUOAPIJWSA-N 0 0 448.889 5.028 50 30 IKEARN Cc1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1[N+](=O)[O-] ZINC000012363635 525743660 /nfs/dbraw/zinc/74/36/60/525743660.db2.gz BEEOUECHRQGAQE-RGVLZGJSSA-N 0 0 447.232 5.214 50 30 IKEARN COc1cccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3[nH]2)c1 ZINC000051065482 525759733 /nfs/dbraw/zinc/75/97/33/525759733.db2.gz PWWXUHILWSNGJC-CPNJWEJPSA-N 0 0 444.487 5.021 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1OC ZINC000009233753 525770550 /nfs/dbraw/zinc/77/05/50/525770550.db2.gz CKXKNINAPHTSQP-NVNXTCNLSA-N 0 0 442.846 5.268 50 30 IKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c1 ZINC000015945583 525776351 /nfs/dbraw/zinc/77/63/51/525776351.db2.gz DDSPIASNYTWIRP-XTFCHBONSA-N 0 0 446.616 6.911 50 30 IKEARN Cc1ccc(-c2csc3ncnc(N4CCN([C@H](C#N)c5ccc(F)cc5)CC4)c23)cc1 ZINC000023983742 525787590 /nfs/dbraw/zinc/78/75/90/525787590.db2.gz XRKHPOPNBJWBCF-JOCHJYFZSA-N 0 0 443.551 5.193 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)o1 ZINC000016294216 525791345 /nfs/dbraw/zinc/79/13/45/525791345.db2.gz OYBXZWOJWFPKQS-NIYFSFCBSA-N 0 0 443.499 5.286 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000001123567 525792889 /nfs/dbraw/zinc/79/28/89/525792889.db2.gz CJXMQLAXIVLDAD-HFJWLAOPSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 ZINC000000994451 525793683 /nfs/dbraw/zinc/79/36/83/525793683.db2.gz YXYXZFJSIGFFCZ-RUZDIDTESA-N 0 0 426.516 6.045 50 30 IKEARN Cc1ccsc1/C=C1\C(=O)c2c(cccc2Oc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000012955562 525815442 /nfs/dbraw/zinc/81/54/42/525815442.db2.gz HKTBNOQEZATRBJ-YVVITCHPSA-N 0 0 442.967 7.914 50 30 IKEARN Cc1ccc(-c2nc(CSc3nc(C)c(C(=O)Nc4ccccc4)cc3C#N)no2)cc1 ZINC000012740043 525815693 /nfs/dbraw/zinc/81/56/93/525815693.db2.gz DZFPANATXOADBJ-UHFFFAOYSA-N 0 0 441.516 5.165 50 30 IKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 ZINC000009422899 525840252 /nfs/dbraw/zinc/84/02/52/525840252.db2.gz ZPUAVDPMXCFVDC-ZMOGYAJESA-N 0 0 425.440 5.022 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009435171 525859881 /nfs/dbraw/zinc/85/98/81/525859881.db2.gz KUGGIIYEUXJTCI-MHZLTWQESA-N 0 0 436.555 6.448 50 30 IKEARN Cc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N/OCc2ccc(Cl)cc2)cc1 ZINC000012955226 525892726 /nfs/dbraw/zinc/89/27/26/525892726.db2.gz BYCZPNTYQSIVPT-BXVZCJGGSA-N 0 0 440.974 7.363 50 30 IKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C/c2ccc(F)cc2)CCCC4)cc1 ZINC000012650676 525893942 /nfs/dbraw/zinc/89/39/42/525893942.db2.gz NBKMCDZEAYWOJO-VULFUBBASA-N 0 0 432.524 5.220 50 30 IKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3sc4c(c3c2=O)CCC4)c(C)c1 ZINC000012565635 525900916 /nfs/dbraw/zinc/90/09/16/525900916.db2.gz GPDJPHKDSOAUJP-UHFFFAOYSA-N 0 0 443.597 5.717 50 30 IKEARN C[C@@H](O[C@@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000085473519 525915743 /nfs/dbraw/zinc/91/57/43/525915743.db2.gz AFBDSAJOMZYQAI-VQTKTOELSA-N 0 0 437.355 5.628 50 30 IKEARN C[C@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009634395 525923730 /nfs/dbraw/zinc/92/37/30/525923730.db2.gz FFZKFMIQVLCTMD-SNVBAGLBSA-N 0 0 443.281 6.264 50 30 IKEARN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1 ZINC000009805411 525961703 /nfs/dbraw/zinc/96/17/03/525961703.db2.gz PGYRRRXXHPHWPZ-KHHYFDFNSA-N 0 0 443.597 6.385 50 30 IKEARN Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000013512346 525965902 /nfs/dbraw/zinc/96/59/02/525965902.db2.gz LRHQVCASSAFGHN-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3/c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000002092500 525970943 /nfs/dbraw/zinc/97/09/43/525970943.db2.gz YWMICQGFRCHBFS-YZYICMKNSA-N 0 0 439.540 5.459 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)o1 ZINC000016294218 525982478 /nfs/dbraw/zinc/98/24/78/525982478.db2.gz OYBXZWOJWFPKQS-BCHFMIIMSA-N 0 0 443.499 5.286 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000009113491 525983715 /nfs/dbraw/zinc/98/37/15/525983715.db2.gz VVLLUTNDRUIFPM-HJPURHCSSA-N 0 0 441.618 5.679 50 30 IKEARN Cc1cc(-c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)ccc1Cl ZINC000012284809 526039941 /nfs/dbraw/zinc/03/99/41/526039941.db2.gz XPTDZEAXBMLZNZ-JXMROGBWSA-N 0 0 433.847 6.973 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc4c(c2)OCO4)C3)s1 ZINC000000676841 526042600 /nfs/dbraw/zinc/04/26/00/526042600.db2.gz HTMLOCJJKALHQD-PUAOIOHZSA-N 0 0 430.529 5.765 50 30 IKEARN Cc1ccc([C@H]2[C@H](c3cccc([N+](=O)[O-])c3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)c(C)c1 ZINC000013510126 526046461 /nfs/dbraw/zinc/04/64/61/526046461.db2.gz UFZFTJYRWWOMTM-QKDODKLFSA-N 0 0 446.510 6.111 50 30 IKEARN COc1cccc(CO/N=C(/C)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C)c1 ZINC000035843365 526047418 /nfs/dbraw/zinc/04/74/18/526047418.db2.gz JMZKNSPDSZCKBS-CEUNXORHSA-N 0 0 428.507 6.541 50 30 IKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793613 526047826 /nfs/dbraw/zinc/04/78/26/526047826.db2.gz FYDPMVYWMHCHNX-LJQANCHMSA-N 0 0 437.609 5.417 50 30 IKEARN CSc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 ZINC000012364931 526077187 /nfs/dbraw/zinc/07/71/87/526077187.db2.gz LHQXQIFPZWYZJA-ZRBLBEILSA-N 0 0 427.573 5.551 50 30 IKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)n1 ZINC000008856936 526223020 /nfs/dbraw/zinc/22/30/20/526223020.db2.gz HEDJFJCLBXRURC-HSZRJFAPSA-N 0 0 437.370 7.051 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000036611448 526227068 /nfs/dbraw/zinc/22/70/68/526227068.db2.gz MWRPCLKSQZDKTH-LSHDLFTRSA-N 0 0 432.864 5.107 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000021946993 526239555 /nfs/dbraw/zinc/23/95/55/526239555.db2.gz AYHFYRCMZUUNLD-OHSXHVKISA-N 0 0 433.486 5.544 50 30 IKEARN Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@](O)(CC(=O)C=Cc2ccco2)C1=O ZINC000009614542 526249884 /nfs/dbraw/zinc/24/98/84/526249884.db2.gz BQKIQGPTTKVGSV-DBQZHCBRSA-N 0 0 429.516 5.118 50 30 IKEARN O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652123 526300085 /nfs/dbraw/zinc/30/00/85/526300085.db2.gz BGINIRZEPREMEX-VWLOTQADSA-N 0 0 434.967 6.427 50 30 IKEARN Oc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000016512874 526339532 /nfs/dbraw/zinc/33/95/32/526339532.db2.gz LVKWHTBUOVAUNW-MFKUBSTISA-N 0 0 445.320 5.725 50 30 IKEARN Oc1ccc2ccccc2c1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2 ZINC000012600349 526354259 /nfs/dbraw/zinc/35/42/59/526354259.db2.gz ZQZQYLXDMVCLNX-JFLMPSFJSA-N 0 0 440.593 7.513 50 30 IKEARN Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2c(O)ccc3ccccc32)n1 ZINC000013305358 526354664 /nfs/dbraw/zinc/35/46/64/526354664.db2.gz QLWCNNXOOXKHMZ-OGLMXYFKSA-N 0 0 432.483 5.821 50 30 IKEARN S=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 ZINC000012345187 526382696 /nfs/dbraw/zinc/38/26/96/526382696.db2.gz WWMAYSUULSODGW-ZMOGYAJESA-N 0 0 430.360 5.893 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000239235537 526390072 /nfs/dbraw/zinc/39/00/72/526390072.db2.gz WDDKZGKEVYQYHL-UHFFFAOYSA-N 0 0 441.343 6.215 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(-c2ccccc2)cc1 ZINC000252429458 526390359 /nfs/dbraw/zinc/39/03/59/526390359.db2.gz QWNPCODHPVHDLX-UHFFFAOYSA-N 0 0 425.344 6.090 50 30 IKEARN O=C(O/N=C/c1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000002152981 526414236 /nfs/dbraw/zinc/41/42/36/526414236.db2.gz COFYSGWPMSRRDE-YCPBAFNGSA-N 0 0 428.197 5.389 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000013563183 526429661 /nfs/dbraw/zinc/42/96/61/526429661.db2.gz AKIZFOBIXPHFNG-ISJGIBHGSA-N 0 0 435.914 5.624 50 30 IKEARN N#CC1(C#N)[C@@H](c2ccc(F)cc2F)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000020792750 526429718 /nfs/dbraw/zinc/42/97/18/526429718.db2.gz DTKWICPHYBOMGE-GSLIJJQTSA-N 0 0 437.449 5.375 50 30 IKEARN N#CC1(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21 ZINC000012524509 526430890 /nfs/dbraw/zinc/43/08/90/526430890.db2.gz VUAKNUODZRBLQK-ZRBLBEILSA-N 0 0 441.943 5.686 50 30 IKEARN O=C(Oc1ccccc1/C=N/c1cccc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100816330 526447546 /nfs/dbraw/zinc/44/75/46/526447546.db2.gz NBFSSJCVZYMBBL-MFKUBSTISA-N 0 0 441.399 5.626 50 30 IKEARN N#CCCN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccccc1 ZINC000003268874 526450596 /nfs/dbraw/zinc/45/05/96/526450596.db2.gz RQYCCRBKPZBASF-UHFFFAOYSA-N 0 0 441.512 5.067 50 30 IKEARN N#CCCN(Cc1ccco1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000009257435 526458347 /nfs/dbraw/zinc/45/83/47/526458347.db2.gz JAGHCMUIRDFKPT-UHFFFAOYSA-N 0 0 443.528 5.636 50 30 IKEARN N#CCC[C@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000012558063 526464540 /nfs/dbraw/zinc/46/45/40/526464540.db2.gz WVPXDRSKAKXGGJ-OAHLLOKOSA-N 0 0 432.940 5.605 50 30 IKEARN N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000012679132 526477537 /nfs/dbraw/zinc/47/75/37/526477537.db2.gz CLDAPYQAJOSBJS-OAQYLSRUSA-N 0 0 425.604 5.011 50 30 IKEARN N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 ZINC000013148085 526491257 /nfs/dbraw/zinc/49/12/57/526491257.db2.gz NOZFJVJCQZHKGF-HXUWFJFHSA-N 0 0 434.540 5.558 50 30 IKEARN N#Cc1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022808317 526529552 /nfs/dbraw/zinc/52/95/52/526529552.db2.gz IUIIFCOUVWCKOB-UHFFFAOYSA-N 0 0 437.565 5.048 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000012546736 526581145 /nfs/dbraw/zinc/58/11/45/526581145.db2.gz XMEQHWJGAIIOHA-UHFFFAOYSA-N 0 0 427.460 5.343 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000022019844 526581372 /nfs/dbraw/zinc/58/13/72/526581372.db2.gz VEQGIZDEEJVLKT-UHFFFAOYSA-N 0 0 443.480 5.011 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000012565832 526635413 /nfs/dbraw/zinc/63/54/13/526635413.db2.gz UIHAVGJLMIFGKQ-LJQDGHHOSA-N 0 0 448.950 5.232 50 30 IKEARN N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000012338442 526686337 /nfs/dbraw/zinc/68/63/37/526686337.db2.gz WCASRPXLXNVLPU-UHFFFAOYSA-N 0 0 433.747 6.922 50 30 IKEARN N#Cc1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000035840013 526711991 /nfs/dbraw/zinc/71/19/91/526711991.db2.gz GXSPKVCZCOWHQU-UHFFFAOYSA-N 0 0 426.423 5.710 50 30 IKEARN N#Cc1ccccc1CSCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000012784560 526739082 /nfs/dbraw/zinc/73/90/82/526739082.db2.gz GNOXKSIUPGUOGS-UHFFFAOYSA-N 0 0 435.618 5.320 50 30 IKEARN O=C(NCc1ccco1)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000019630055 526779463 /nfs/dbraw/zinc/77/94/63/526779463.db2.gz QEZXMCVQMNVIHA-RWPZCVJISA-N 0 0 439.540 6.025 50 30 IKEARN O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000012652239 526785656 /nfs/dbraw/zinc/78/56/56/526785656.db2.gz CYTHPCXEIGZFQS-HHHXNRCGSA-N 0 0 434.495 6.254 50 30 IKEARN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(Br)cc1 ZINC000001191442 526789447 /nfs/dbraw/zinc/78/94/47/526789447.db2.gz GDSCIDHNTHTSNE-NRFANRHFSA-N 0 0 449.373 5.262 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000000681767 526798566 /nfs/dbraw/zinc/79/85/66/526798566.db2.gz JRAKLIMXZQJKME-VWLOTQADSA-N 0 0 439.471 5.412 50 30 IKEARN N=C(NOC(=O)Nc1csc(-c2cccc(Cl)c2Cl)n1)c1ccc(Cl)cc1 ZINC000012369686 526803093 /nfs/dbraw/zinc/80/30/93/526803093.db2.gz GJUFYJAAFPZRTI-UHFFFAOYSA-N 0 0 441.727 5.639 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NCc1ccccc1 ZINC000021722002 526827059 /nfs/dbraw/zinc/82/70/59/526827059.db2.gz BFLMFOCWSSBKTJ-AREMUKBSSA-N 0 0 443.572 5.045 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC1CCCCC1 ZINC000021721996 526827066 /nfs/dbraw/zinc/82/70/66/526827066.db2.gz UNHZBGQFDSEKHE-VWLOTQADSA-N 0 0 435.593 5.177 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cccc(F)c1 ZINC000020503320 526827421 /nfs/dbraw/zinc/82/74/21/526827421.db2.gz YQQHZCIANJHEGK-RUZDIDTESA-N 0 0 431.467 5.038 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1Cl ZINC000020503271 526827436 /nfs/dbraw/zinc/82/74/36/526827436.db2.gz IMRSGLGDIAWKDK-VWLOTQADSA-N 0 0 447.922 5.552 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccc(F)cc1 ZINC000021722057 526827586 /nfs/dbraw/zinc/82/75/86/526827586.db2.gz XTHBDTKCZISFML-RUZDIDTESA-N 0 0 447.535 5.506 50 30 IKEARN Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(N=NCc2ccccc2)n1 ZINC000012369810 526843794 /nfs/dbraw/zinc/84/37/94/526843794.db2.gz WQLGHLTWIUDPQB-AUEPDCJTSA-N 0 0 429.332 6.526 50 30 IKEARN Cc1sc(NC=C2C(=O)c3ccccc3C2=O)nc1-c1ccc(Br)cc1 ZINC000002543499 526884243 /nfs/dbraw/zinc/88/42/43/526884243.db2.gz FBAKSBKTAHQLEY-UHFFFAOYSA-N 0 0 425.307 5.256 50 30 IKEARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c2c1C ZINC000022168227 526890308 /nfs/dbraw/zinc/89/03/08/526890308.db2.gz UYYYFIHBQCNOGK-CQSZACIVSA-N 0 0 428.558 5.183 50 30 IKEARN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3Cl)n2)c(Cl)c1 ZINC000012436811 526936560 /nfs/dbraw/zinc/93/65/60/526936560.db2.gz JUWMZIITMIZIJU-BRJLIKDPSA-N 0 0 427.722 6.703 50 30 IKEARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1/N=C/c1ccc(-c2ccccc2Cl)o1 ZINC000051364650 526939725 /nfs/dbraw/zinc/93/97/25/526939725.db2.gz OAQYHCADWPXUEV-BBKMRNEJSA-N 0 0 442.924 5.974 50 30 IKEARN O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000012393133 526941687 /nfs/dbraw/zinc/94/16/87/526941687.db2.gz QLBBFNNDICRPKB-KKOPTWAASA-N 0 0 439.540 5.720 50 30 IKEARN O=C(CON=C1c2ccccc2-c2ccccc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000003312519 526942551 /nfs/dbraw/zinc/94/25/51/526942551.db2.gz GAZLXGGVIMARNH-UHFFFAOYSA-N 0 0 446.550 5.708 50 30 IKEARN O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000057264244 526949978 /nfs/dbraw/zinc/94/99/78/526949978.db2.gz ZZPGKIUZHMCSCO-WCTVFOPTSA-N 0 0 443.978 5.720 50 30 IKEARN Clc1ccc(CON=C(CSc2ccccc2)CSc2ccccc2)cc1Cl ZINC000012960452 526950438 /nfs/dbraw/zinc/95/04/38/526950438.db2.gz KRGDETYZOJIKCM-UHFFFAOYSA-N 0 0 448.440 7.451 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1Cl ZINC000001079880 526967886 /nfs/dbraw/zinc/96/78/86/526967886.db2.gz DEMUMECVKQQPIA-GFCCVEGCSA-N 0 0 436.758 5.692 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1cccs1)N(S(=O)(=O)c1ccccc1)c1ccccc1N2 ZINC000021722849 526968609 /nfs/dbraw/zinc/96/86/09/526968609.db2.gz JAXVMSWGKWXILJ-HSZRJFAPSA-N 0 0 436.558 5.117 50 30 IKEARN Cn1c(=O)c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc21 ZINC000069351888 527023504 /nfs/dbraw/zinc/02/35/04/527023504.db2.gz TZAOISQLDLBPLV-NTCAYCPXSA-N 0 0 444.328 5.864 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@H](c3cccc(Cl)c3)C12 ZINC000009546523 527024165 /nfs/dbraw/zinc/02/41/65/527024165.db2.gz LDLXGEDURBQYLF-NPMXOYFQSA-N 0 0 431.948 6.167 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000018195189 527024979 /nfs/dbraw/zinc/02/49/79/527024979.db2.gz XMGNDLKGRYGTTB-MQNRADLISA-N 0 0 440.524 5.834 50 30 IKEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000006473696 527043136 /nfs/dbraw/zinc/04/31/36/527043136.db2.gz AJKYOJCZUDFUEE-PDGQHHTCSA-N 0 0 425.307 5.601 50 30 IKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000009296698 527043631 /nfs/dbraw/zinc/04/36/31/527043631.db2.gz HNZGPYSFIOWBMD-WOJGMQOQSA-N 0 0 448.853 6.510 50 30 IKEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cccn1-c1ccc(O)cc1 ZINC000012630857 527043763 /nfs/dbraw/zinc/04/37/63/527043763.db2.gz OKAFQPQYKNPOSU-BOPFTXTBSA-N 0 0 430.316 5.381 50 30 IKEARN O=C1Nc2ccccc2/C1=N/c1ccc(-c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1 ZINC000017723987 527090659 /nfs/dbraw/zinc/09/06/59/527090659.db2.gz CRYBAWINATWOBV-UHFFFAOYSA-N 0 0 442.478 5.499 50 30 IKEARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1c(F)c(F)c(F)c(F)c1F ZINC000059596172 527103603 /nfs/dbraw/zinc/10/36/03/527103603.db2.gz NEZAABBDUZRVFR-UHFFFAOYSA-N 0 0 438.318 5.644 50 30 IKEARN NC(=S)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000009311145 527110476 /nfs/dbraw/zinc/11/04/76/527110476.db2.gz WBXNYLOYWSIGBV-JVWAILMASA-N 0 0 430.964 5.632 50 30 IKEARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000065453319 527114095 /nfs/dbraw/zinc/11/40/95/527114095.db2.gz PDGJUPCHBQIGPX-INIZCTEOSA-N 0 0 443.576 5.465 50 30 IKEARN Cc1nc2cc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)ccc2n1Cc1ccccc1 ZINC000103633880 527114276 /nfs/dbraw/zinc/11/42/76/527114276.db2.gz QHPDNENGOCDLED-ZMOGYAJESA-N 0 0 449.308 5.814 50 30 IKEARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000065453322 527115197 /nfs/dbraw/zinc/11/51/97/527115197.db2.gz PDGJUPCHBQIGPX-MRXNPFEDSA-N 0 0 443.576 5.465 50 30 IKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1cccc(Br)c1 ZINC000009577157 527122017 /nfs/dbraw/zinc/12/20/17/527122017.db2.gz ZAALHXJBDMNOMY-ZYPUKPEJSA-N 0 0 433.301 6.158 50 30 IKEARN O=C1c2ccc(OCc3ccc(F)cc3Cl)cc2O/C1=C\C1=Cc2ccccc2OC1 ZINC000002358720 527122948 /nfs/dbraw/zinc/12/29/48/527122948.db2.gz IOHCJJOILLWQBU-VROXFSQNSA-N 0 0 434.850 5.993 50 30 IKEARN O=C1c2ccc3c(c2O/C1=C\c1ccc(-c2ccccc2)cc1)CN(Cc1cccnc1)CO3 ZINC000041660938 527124083 /nfs/dbraw/zinc/12/40/83/527124083.db2.gz PXOKXSYHPPLXLI-DICXZTSXSA-N 0 0 446.506 5.717 50 30 IKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000001152268 527128240 /nfs/dbraw/zinc/12/82/40/527128240.db2.gz KMAYFHYAGXSBSF-UHFFFAOYSA-N 0 0 437.264 5.630 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cc4ccccc4)cc3)C12 ZINC000002205721 527132581 /nfs/dbraw/zinc/13/25/81/527132581.db2.gz XKKXPGMMSLTORG-LJAQVGFWSA-N 0 0 431.560 7.144 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000005110446 527132682 /nfs/dbraw/zinc/13/26/82/527132682.db2.gz RYVDBLNLUOGLOD-NYHFZMIOSA-N 0 0 427.887 5.628 50 30 IKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1 ZINC000011617295 527133286 /nfs/dbraw/zinc/13/32/86/527133286.db2.gz YXBIJBVXZZGCDK-NTCAYCPXSA-N 0 0 428.329 6.869 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc3c(c1)OCO3)N=C(SCc1cccc(F)c1)N2 ZINC000012961042 527133425 /nfs/dbraw/zinc/13/34/25/527133425.db2.gz CCTSFIVBCFLRCI-QFIPXVFZSA-N 0 0 444.487 5.096 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000008973174 527133433 /nfs/dbraw/zinc/13/34/33/527133433.db2.gz LGCLOXHLFLSDOV-UUOWRZLLSA-N 0 0 437.926 6.035 50 30 IKEARN O=C1c2ccccc2S/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013563282 527136142 /nfs/dbraw/zinc/13/61/42/527136142.db2.gz ZSBCAFVMOKKWIF-KSEXSDGBSA-N 0 0 436.363 7.326 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccnc2ccccc12 ZINC000096134083 527139406 /nfs/dbraw/zinc/13/94/06/527139406.db2.gz QYNPXBBHIZVBNV-KAMYIIQDSA-N 0 0 434.926 7.308 50 30 IKEARN O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNc1ccc(Cl)cc1 ZINC000020575849 527139566 /nfs/dbraw/zinc/13/95/66/527139566.db2.gz OHZVITPVEMTJFD-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000096298496 527156592 /nfs/dbraw/zinc/15/65/92/527156592.db2.gz JEEMAYIDKRNHOD-SDQBBNPISA-N 0 0 427.887 6.488 50 30 IKEARN O=S(=O)(/N=C(/SCc1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F ZINC000012574679 527158227 /nfs/dbraw/zinc/15/82/27/527158227.db2.gz SXONEZBZDKXDQY-HIXSDJFHSA-N 0 0 437.920 5.687 50 30 IKEARN O=S(=O)(N=C(Nc1ccc(Br)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012378370 527159765 /nfs/dbraw/zinc/15/97/65/527159765.db2.gz CSBPZKHYKJIDLI-UHFFFAOYSA-N 0 0 449.757 5.350 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 ZINC000002209710 527180498 /nfs/dbraw/zinc/18/04/98/527180498.db2.gz FOPDCUVSFHWKBE-HZYJKNPPSA-N 0 0 435.936 5.505 50 30 IKEARN O=S(=O)(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000100407586 527262558 /nfs/dbraw/zinc/26/25/58/527262558.db2.gz AFQMTHNCLKGKTP-DHRITJCHSA-N 0 0 439.842 5.877 50 30 IKEARN O=[N+]([O-])c1cc(Br)ccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000019637650 527327840 /nfs/dbraw/zinc/32/78/40/527327840.db2.gz CKYKJNHZXUQIOE-KEBDBYFISA-N 0 0 443.282 5.673 50 30 IKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(-c3nc4c(ccc5ccccc45)o3)cc1)OCO2 ZINC000100506491 527341486 /nfs/dbraw/zinc/34/14/86/527341486.db2.gz TWAVKWDMAPYKRF-LGJNPRDNSA-N 0 0 437.411 6.036 50 30 IKEARN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 ZINC000002232337 527342338 /nfs/dbraw/zinc/34/23/38/527342338.db2.gz CFLWGKJVMIGWKM-HZYJKNPPSA-N 0 0 435.936 5.505 50 30 IKEARN O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008781732 527344937 /nfs/dbraw/zinc/34/49/37/527344937.db2.gz NKAJMJNCVXJYNQ-KOYYFNRMSA-N 0 0 436.895 5.852 50 30 IKEARN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000100501559 527383390 /nfs/dbraw/zinc/38/33/90/527383390.db2.gz SVVNCOSUAMKAGP-KMNHIJHVSA-N 0 0 448.276 6.581 50 30 IKEARN O=C(Nc1ccccc1Cl)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008857168 527417386 /nfs/dbraw/zinc/41/73/86/527417386.db2.gz BOZHKOACNZJEFC-UAHGDZPKSA-N 0 0 432.820 5.419 50 30 IKEARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccccc1Br ZINC000020522755 527498954 /nfs/dbraw/zinc/49/89/54/527498954.db2.gz PHGCJOIQEQFULD-UHFFFAOYSA-N 0 0 449.304 5.804 50 30 IKEARN O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(-c2ccccc2)cc1 ZINC000001885000 527531387 /nfs/dbraw/zinc/53/13/87/527531387.db2.gz PCFRITRUBLQUIW-CIAFOILYSA-N 0 0 435.490 5.178 50 30 IKEARN O=C(Nc1sc(N=NCc2ccccc2Cl)nc1-c1cccs1)c1ccco1 ZINC000009223177 527539559 /nfs/dbraw/zinc/53/95/59/527539559.db2.gz ILBVKKWYSNNHNE-SRZZPIQSSA-N 0 0 428.926 5.816 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000021658684 527553693 /nfs/dbraw/zinc/55/36/93/527553693.db2.gz IEMLITWKPKFISU-NRFANRHFSA-N 0 0 434.337 5.508 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018199736 527554065 /nfs/dbraw/zinc/55/40/65/527554065.db2.gz BSZSZVHMRDROBO-HOYKHHGWSA-N 0 0 438.556 5.595 50 30 IKEARN Cc1nn(-c2ccccn2)c2c1[C@H](c1c(C)cc(C)cc1C)C1C(=O)c3ccccc3C1=N2 ZINC000013121865 527567326 /nfs/dbraw/zinc/56/73/26/527567326.db2.gz RJYBIBFTTKYBOH-DEOSSOPVSA-N 0 0 432.527 5.666 50 30 IKEARN Cc1nn(-c2ccccn2)c2c1[C@H](c1c(F)cccc1Cl)C1C(=O)c3ccccc3C1=N2 ZINC000013122144 527568207 /nfs/dbraw/zinc/56/82/07/527568207.db2.gz VAYGHDRGUSXLBB-OAQYLSRUSA-N 0 0 442.881 5.533 50 30 IKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H]([C@@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012589291 527571280 /nfs/dbraw/zinc/57/12/80/527571280.db2.gz GIVACYCDGIYMJO-ZHRRBRCNSA-N 0 0 444.604 6.299 50 30 IKEARN O=C(COc1cc(Cl)ccc1Cl)Nc1n[nH]c(-c2ccccc2Br)n1 ZINC000012784193 527587770 /nfs/dbraw/zinc/58/77/70/527587770.db2.gz GIDOCHYAAIWRIR-UHFFFAOYSA-N 0 0 442.100 5.208 50 30 IKEARN O/N=C(\c1ccccc1)[C@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1 ZINC000071767274 527590150 /nfs/dbraw/zinc/59/01/50/527590150.db2.gz SCLPXTHLYLDYNO-VEZPTTSMSA-N 0 0 431.535 7.139 50 30 IKEARN O=C(/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000034772682 527590684 /nfs/dbraw/zinc/59/06/84/527590684.db2.gz TXKFZDXZMNXYKN-NCELDCMTSA-N 0 0 430.507 6.565 50 30 IKEARN O=C(/C(=C\c1c(F)cccc1F)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000050647600 527591219 /nfs/dbraw/zinc/59/12/19/527591219.db2.gz LAMHXVFJKLZVQF-FOWTUZBSSA-N 0 0 439.259 6.027 50 30 IKEARN O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cc2ccccc2)s1 ZINC000036611169 527605663 /nfs/dbraw/zinc/60/56/63/527605663.db2.gz KHGLPLOZAIJRQG-FYWRMAATSA-N 0 0 440.564 6.896 50 30 IKEARN O=C(/C=C/c1ccc(COc2ccccc2Br)o1)C12CC3CC(CC(C3)C1)C2 ZINC000036611158 527606650 /nfs/dbraw/zinc/60/66/50/527606650.db2.gz KCOGYQPRQBOSCW-BQYQJAHWSA-N 0 0 441.365 6.420 50 30 IKEARN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 ZINC000002702091 527608338 /nfs/dbraw/zinc/60/83/38/527608338.db2.gz PXKFENJIEIHTFH-ASNDZTLUSA-N 0 0 429.825 6.728 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1ccc(C)cc1 ZINC000032972319 527627137 /nfs/dbraw/zinc/62/71/37/527627137.db2.gz PFSPAYQZGIUMQZ-UHFFFAOYSA-N 0 0 431.584 5.041 50 30 IKEARN O=C(/C=C/c1ccccc1Cl)c1cc(Br)ccc1OC(=O)c1ccco1 ZINC000009019336 527635367 /nfs/dbraw/zinc/63/53/67/527635367.db2.gz YRDUOAPDUSVMOY-VQHVLOKHSA-N 0 0 431.669 5.811 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccs1 ZINC000012564689 527646470 /nfs/dbraw/zinc/64/64/70/527646470.db2.gz BBKYVZZVKUFMFO-JLHYYAGUSA-N 0 0 435.346 6.259 50 30 IKEARN O=C(/C=C\c1ccc(/C=C\C(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21 ZINC000090624120 527653709 /nfs/dbraw/zinc/65/37/09/527653709.db2.gz FRJUSNJBEHTICZ-WRBBJXAJSA-N 0 0 438.526 7.785 50 30 IKEARN O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000033498963 527655689 /nfs/dbraw/zinc/65/56/89/527655689.db2.gz HNMSPUKYADLJPH-TYULJFPZSA-N 0 0 429.350 6.024 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H]1SC2c3ccccc3C1c1ccccc12 ZINC000102579512 527661627 /nfs/dbraw/zinc/66/16/27/527661627.db2.gz QJNFXQRNAOKHEU-NRXISQOPSA-N 0 0 442.346 6.805 50 30 IKEARN FC(F)(F)c1cc(Cl)nc(N=C(Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000091695329 527680639 /nfs/dbraw/zinc/68/06/39/527680639.db2.gz OZPYBTHMJRGNQG-UHFFFAOYSA-N 0 0 444.671 7.251 50 30 IKEARN FC(F)(F)c1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000009310383 527680939 /nfs/dbraw/zinc/68/09/39/527680939.db2.gz ZERKWEGESSOBPJ-JFLMPSFJSA-N 0 0 449.440 5.824 50 30 IKEARN FC(F)(F)c1cccc(Nc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)c1 ZINC000095691960 527686305 /nfs/dbraw/zinc/68/63/05/527686305.db2.gz BVMKDTQJUXTKIQ-UHFFFAOYSA-N 0 0 425.254 6.430 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000626571 555512874 /nfs/dbraw/zinc/51/28/74/555512874.db2.gz RTRJDKRKYJMMAP-LJQANCHMSA-N 0 0 432.358 5.005 50 30 IKEARN O=C1CCCC2=C1C(c1cccc(OCc3cccc(Cl)c3)c1)C1=C(CCCC1=O)N2 ZINC000000627358 555513101 /nfs/dbraw/zinc/51/31/01/555513101.db2.gz PCROZHCHPDJYDK-UHFFFAOYSA-N 0 0 433.935 5.620 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OCc2cccc(Cl)c2)c1 ZINC000000627338 555513180 /nfs/dbraw/zinc/51/31/80/555513180.db2.gz XFRREFHWGGKXDH-QHCPKHFHSA-N 0 0 437.923 5.060 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000000629453 555513955 /nfs/dbraw/zinc/51/39/55/555513955.db2.gz MIPQXBIRHIEEEJ-JOCHJYFZSA-N 0 0 425.912 5.377 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000000629407 555514043 /nfs/dbraw/zinc/51/40/43/555514043.db2.gz PEGPZEMWPWLVTF-QFIPXVFZSA-N 0 0 425.912 5.377 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000000630710 555514568 /nfs/dbraw/zinc/51/45/68/555514568.db2.gz LYLCHAAMYDNCQX-NGOKVRLYSA-N 0 0 439.559 5.741 50 30 IKEARN Cc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000000632828 555515510 /nfs/dbraw/zinc/51/55/10/555515510.db2.gz DXESXQRWYVRBGH-UHFFFAOYSA-N 0 0 429.560 6.228 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc21 ZINC000000666959 555528974 /nfs/dbraw/zinc/52/89/74/555528974.db2.gz XQSQMDZQANDGKB-KDYSTLNUSA-N 0 0 437.539 5.765 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000666738 555528990 /nfs/dbraw/zinc/52/89/90/555528990.db2.gz TZHQCUTUDAQUHL-HFZDXXHNSA-N 0 0 445.559 5.256 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc21 ZINC000000666967 555529006 /nfs/dbraw/zinc/52/90/06/555529006.db2.gz XQSQMDZQANDGKB-JIPXPUAJSA-N 0 0 437.539 5.765 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000000668291 555529912 /nfs/dbraw/zinc/52/99/12/555529912.db2.gz SSFNBGIQQXYZPA-SANMLTNESA-N 0 0 432.564 6.027 50 30 IKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000000669917 555530440 /nfs/dbraw/zinc/53/04/40/555530440.db2.gz USBCNMJGJPYFFK-RUZDIDTESA-N 0 0 439.471 5.412 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O[C@@H](C)CC ZINC000000671960 555531668 /nfs/dbraw/zinc/53/16/68/555531668.db2.gz BELHMXOTTYPSEN-MYUZEXMDSA-N 0 0 446.591 6.417 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000000681095 555537437 /nfs/dbraw/zinc/53/74/37/555537437.db2.gz MPKRNEJXJDFNLB-RUZDIDTESA-N 0 0 447.962 6.820 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000000681885 555537686 /nfs/dbraw/zinc/53/76/86/555537686.db2.gz FZOQITOWFUELIN-PZGXJGMVSA-N 0 0 438.571 6.798 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000000681883 555537713 /nfs/dbraw/zinc/53/77/13/555537713.db2.gz FZOQITOWFUELIN-KPURRNSFSA-N 0 0 438.571 6.798 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1OCC(N)=O ZINC000000684839 555539467 /nfs/dbraw/zinc/53/94/67/555539467.db2.gz JHFCDXVXPJCLHW-SANMLTNESA-N 0 0 426.516 5.013 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000688808 555541293 /nfs/dbraw/zinc/54/12/93/555541293.db2.gz RBSIDMDQXNRZGZ-HSZRJFAPSA-N 0 0 442.481 6.258 50 30 IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000000702437 555543402 /nfs/dbraw/zinc/54/34/02/555543402.db2.gz WTPSFZPLVCHCAL-NRFANRHFSA-N 0 0 447.560 5.370 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000707154 555545334 /nfs/dbraw/zinc/54/53/34/555545334.db2.gz RYIPGNDNIOHWRE-XMMPIXPASA-N 0 0 433.935 6.517 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2 ZINC000000709462 555546456 /nfs/dbraw/zinc/54/64/56/555546456.db2.gz KFDGLDPNDVLWLR-IVCQMTBJSA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 ZINC000000709498 555546471 /nfs/dbraw/zinc/54/64/71/555546471.db2.gz KMNOZBRXYDIKND-AVRWGWEMSA-N 0 0 434.461 6.685 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000000709466 555546548 /nfs/dbraw/zinc/54/65/48/555546548.db2.gz HBJPZHCWYVMFSK-CPJLOUKISA-N 0 0 445.906 6.228 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC ZINC000000709639 555546840 /nfs/dbraw/zinc/54/68/40/555546840.db2.gz YSPATPBMNCXEOI-DWXRJYCRSA-N 0 0 427.504 5.078 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC ZINC000000709948 555546854 /nfs/dbraw/zinc/54/68/54/555546854.db2.gz HILUGRDIMXMNKP-PUAOIOHZSA-N 0 0 432.545 5.745 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000000709776 555546897 /nfs/dbraw/zinc/54/68/97/555546897.db2.gz KKFOCULDYZFJPV-DNOBIOAJSA-N 0 0 434.495 5.773 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O ZINC000000710626 555547040 /nfs/dbraw/zinc/54/70/40/555547040.db2.gz FDVXNNIFAZBQQL-QLXKLKPCSA-N 0 0 442.515 5.389 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000710779 555547090 /nfs/dbraw/zinc/54/70/90/555547090.db2.gz WUMXPTFQJQQTPD-CMJOXMDJSA-N 0 0 440.490 6.746 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000000710571 555547172 /nfs/dbraw/zinc/54/71/72/555547172.db2.gz NOPGTQHGCKXWIJ-XMMPIXPASA-N 0 0 433.523 5.216 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000714061 555547997 /nfs/dbraw/zinc/54/79/97/555547997.db2.gz PRXHHVROIKDXSY-MHZLTWQESA-N 0 0 427.544 6.557 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000000720130 555549702 /nfs/dbraw/zinc/54/97/02/555549702.db2.gz SUQRXGNRUNKAAR-OYLFLEFRSA-N 0 0 432.545 5.745 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O ZINC000000720494 555549742 /nfs/dbraw/zinc/54/97/42/555549742.db2.gz ALLHTRHSEXYSHK-DXPJPUQTSA-N 0 0 446.934 6.034 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 ZINC000000720527 555549783 /nfs/dbraw/zinc/54/97/83/555549783.db2.gz GFHWUBIEAVZQDB-ODCWNRFASA-N 0 0 432.545 5.745 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 ZINC000000726637 555551618 /nfs/dbraw/zinc/55/16/18/555551618.db2.gz PHDZSSBNSAVARJ-DEOSSOPVSA-N 0 0 437.580 5.564 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781299 555555119 /nfs/dbraw/zinc/55/51/19/555555119.db2.gz CYRJXPPPAOQGQD-HXOBKFHXSA-N 0 0 439.552 5.448 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781243 555555203 /nfs/dbraw/zinc/55/52/03/555555203.db2.gz CTKAJFWUYWTFMS-BXKMTCNYSA-N 0 0 449.572 5.301 50 30 IKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O ZINC000000793482 555557727 /nfs/dbraw/zinc/55/77/27/555557727.db2.gz MKWYUHYBWXUTCR-HHHXNRCGSA-N 0 0 441.527 6.083 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000000812866 555560819 /nfs/dbraw/zinc/56/08/19/555560819.db2.gz QSTWRMPTFOQGTR-WGDIFIGCSA-N 0 0 432.470 5.953 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000812846 555560851 /nfs/dbraw/zinc/56/08/51/555560851.db2.gz WDIGNQZYAIJBOV-DNOBIOAJSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000000812864 555560907 /nfs/dbraw/zinc/56/09/07/555560907.db2.gz QSTWRMPTFOQGTR-MRDQGFSESA-N 0 0 432.470 5.953 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000812929 555561070 /nfs/dbraw/zinc/56/10/70/555561070.db2.gz OSQNVTKXOKFBHH-CPJLOUKISA-N 0 0 446.934 6.034 50 30 in-vitro IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1O ZINC000000815819 555562059 /nfs/dbraw/zinc/56/20/59/555562059.db2.gz ZUFFGJVOIPXCQQ-XHCCPWGMSA-N 0 0 426.516 5.689 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O ZINC000000815826 555562069 /nfs/dbraw/zinc/56/20/69/555562069.db2.gz MMOUQZPPZBBYDD-UZTOHYMASA-N 0 0 426.516 5.689 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1OC ZINC000000815787 555562141 /nfs/dbraw/zinc/56/21/41/555562141.db2.gz NOXGFUIHZRXLNU-PPHZAIPVSA-N 0 0 440.543 5.992 50 30 IKEARN CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1O ZINC000000857616 555571709 /nfs/dbraw/zinc/57/17/09/555571709.db2.gz SNUMIEZPTBRLEA-VWLOTQADSA-N 0 0 434.536 5.344 50 30 IKEARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000000861116 555572306 /nfs/dbraw/zinc/57/23/06/555572306.db2.gz MBGAFOVYUZEWKC-AFMDSPMNSA-N 0 0 425.488 5.883 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000000861122 555572350 /nfs/dbraw/zinc/57/23/50/555572350.db2.gz FLWSURSIFHMWID-WGDIFIGCSA-N 0 0 441.487 5.583 50 30 IKEARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000000861344 555572416 /nfs/dbraw/zinc/57/24/16/555572416.db2.gz FAGKBBGHAXKAHP-QLXKLKPCSA-N 0 0 430.935 6.328 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 ZINC000000869996 555575029 /nfs/dbraw/zinc/57/50/29/555575029.db2.gz RWPGUUJGDRLQDU-LJAQVGFWSA-N 0 0 432.523 6.487 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1 ZINC000000872435 555575570 /nfs/dbraw/zinc/57/55/70/555575570.db2.gz IGNKQYZXOGECOQ-PPHZAIPVSA-N 0 0 426.516 5.899 50 30 IKEARN Cc1ccc2occ([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccccc3)C4)c(=O)c2c1 ZINC000000883185 555578150 /nfs/dbraw/zinc/57/81/50/555578150.db2.gz WJFKHABEGSLKLN-WHLCRQNOSA-N 0 0 448.522 6.081 50 30 biogenic IKEARN CC1(C)CC(=O)C(Sc2ccc(Br)cc2)=C(OC(=O)c2cccs2)C1 ZINC000000955233 555590000 /nfs/dbraw/zinc/59/00/00/555590000.db2.gz LUDZTKJEVZBZKP-UHFFFAOYSA-N 0 0 437.380 6.060 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000000977382 555592619 /nfs/dbraw/zinc/59/26/19/555592619.db2.gz FFBCYWJTOBHJQY-HUOZHCEOSA-N 0 0 432.545 5.349 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000001010073 555601657 /nfs/dbraw/zinc/60/16/57/555601657.db2.gz DXFSOTSALOYCFM-NRFANRHFSA-N 0 0 449.963 5.556 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1O ZINC000001014350 555602462 /nfs/dbraw/zinc/60/24/62/555602462.db2.gz KDRHSIVWJBNKAY-AUERHCTOSA-N 0 0 430.529 5.248 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001022100 555603680 /nfs/dbraw/zinc/60/36/80/555603680.db2.gz JMIPJZLQDGJHKC-HRFSGMKKSA-N 0 0 442.559 5.319 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000001051624 555613311 /nfs/dbraw/zinc/61/33/11/555613311.db2.gz WXZMMTCSIVQCDX-DHRITJCHSA-N 0 0 426.303 5.802 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001070616 555620791 /nfs/dbraw/zinc/62/07/91/555620791.db2.gz VPXIKURZVDVKSA-ZHRRBRCNSA-N 0 0 441.980 5.715 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001070620 555621189 /nfs/dbraw/zinc/62/11/89/555621189.db2.gz VPXIKURZVDVKSA-KSFYIVLOSA-N 0 0 441.980 5.715 50 30 IKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001077211 555624619 /nfs/dbraw/zinc/62/46/19/555624619.db2.gz RBQJCXIQDJZMJG-HRFSGMKKSA-N 0 0 426.585 6.696 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001082103 555626230 /nfs/dbraw/zinc/62/62/30/555626230.db2.gz KCENSAJUJSBWMW-MBSDFSHPSA-N 0 0 436.939 5.048 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Br)cc1)Nc1ccccc1N2 ZINC000001082742 555626280 /nfs/dbraw/zinc/62/62/80/555626280.db2.gz UXDRVWWJZZMUSG-IQGLISFBSA-N 0 0 445.360 6.429 50 30 IKEARN Cn1cccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000001084148 555626283 /nfs/dbraw/zinc/62/62/83/555626283.db2.gz IASDRNVNEONLOG-VWLOTQADSA-N 0 0 425.532 5.482 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107162 555629592 /nfs/dbraw/zinc/62/95/92/555629592.db2.gz RFRLKHBOFUCJLI-SSOJOUAXSA-N 0 0 445.906 6.228 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000001127603 555642002 /nfs/dbraw/zinc/64/20/02/555642002.db2.gz ALEVSAGTMVIFJA-XCLFUZPHSA-N 0 0 447.478 5.302 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3Cl)nc1N2 ZINC000001129493 555643697 /nfs/dbraw/zinc/64/36/97/555643697.db2.gz ZZLWRRCVJBKGIH-IBGZPJMESA-N 0 0 449.963 5.692 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000001132837 555645693 /nfs/dbraw/zinc/64/56/93/555645693.db2.gz OAGBZAFLRCGTBD-BTYIYWSLSA-N 0 0 445.437 5.223 50 30 IKEARN CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CCCC2=O ZINC000001156465 555659001 /nfs/dbraw/zinc/65/90/01/555659001.db2.gz LCDNYASJCQHRDC-UHFFFAOYSA-N 0 0 441.571 6.007 50 30 IKEARN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000001169149 555665664 /nfs/dbraw/zinc/66/56/64/555665664.db2.gz FKPFCSCWKNADTB-UHFFFAOYSA-N 0 0 445.721 6.309 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000001174796 555669249 /nfs/dbraw/zinc/66/92/49/555669249.db2.gz TUNPVMHUQVHRPP-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000001175589 555669500 /nfs/dbraw/zinc/66/95/00/555669500.db2.gz PHUCGVPECAHFDE-NRFANRHFSA-N 0 0 428.866 5.225 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(SC)cc1 ZINC000001184396 555673409 /nfs/dbraw/zinc/67/34/09/555673409.db2.gz BQEAGWNBPANOMQ-AOMKIAJQSA-N 0 0 439.602 5.395 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001184783 555673422 /nfs/dbraw/zinc/67/34/22/555673422.db2.gz XXKWQIVCAMYFML-UZUQRXQVSA-N 0 0 439.552 5.448 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccc(O)c1 ZINC000001197097 555677286 /nfs/dbraw/zinc/67/72/86/555677286.db2.gz AGZTXHSFHYTNJZ-HXUWFJFHSA-N 0 0 430.426 5.098 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccc(O)c1 ZINC000001197099 555677300 /nfs/dbraw/zinc/67/73/00/555677300.db2.gz AGZTXHSFHYTNJZ-FQEVSTJZSA-N 0 0 430.426 5.098 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001202510 555679124 /nfs/dbraw/zinc/67/91/24/555679124.db2.gz JEBIZTUAMZAJHH-RLWLMLJZSA-N 0 0 427.544 5.534 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001204416 555680025 /nfs/dbraw/zinc/68/00/25/555680025.db2.gz LMWOXDKLWIKHDC-NRESZANFSA-N 0 0 429.447 5.017 50 30 IKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000001213035 555682762 /nfs/dbraw/zinc/68/27/62/555682762.db2.gz IEZGPYRAYNHBCB-ZUOKHONESA-N 0 0 435.486 5.651 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000001213265 555683089 /nfs/dbraw/zinc/68/30/89/555683089.db2.gz TZIRPBWBLGPZKR-NRFANRHFSA-N 0 0 444.915 5.092 50 30 IKEARN Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001216815 555684255 /nfs/dbraw/zinc/68/42/55/555684255.db2.gz XLAHUQIIMZNDHU-SIBVEZHUSA-N 0 0 425.488 5.883 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 ZINC000001221159 555686027 /nfs/dbraw/zinc/68/60/27/555686027.db2.gz GLFGLAVYEGWMMO-AREMUKBSSA-N 0 0 445.559 5.228 50 30 IKEARN COc1cc(OC)c(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1Br ZINC000001229079 555686184 /nfs/dbraw/zinc/68/61/84/555686184.db2.gz YQQCBNKRCOUEET-ZVHZXABRSA-N 0 0 439.309 5.469 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000001409137 555694026 /nfs/dbraw/zinc/69/40/26/555694026.db2.gz JQTIPGOKXZTPEI-DWXRJYCRSA-N 0 0 430.935 6.328 50 30 IKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000001413463 555694690 /nfs/dbraw/zinc/69/46/90/555694690.db2.gz DEQPEHJGLWNOEA-JOCHJYFZSA-N 0 0 446.503 5.190 50 30 IKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000001414054 555694912 /nfs/dbraw/zinc/69/49/12/555694912.db2.gz HALUOMUJKGFJCG-HSZRJFAPSA-N 0 0 432.955 6.056 50 30 IKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000001414732 555694923 /nfs/dbraw/zinc/69/49/23/555694923.db2.gz MVMVOLLSAFLFRI-XMMPIXPASA-N 0 0 440.474 5.128 50 30 IKEARN CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001434760 555696848 /nfs/dbraw/zinc/69/68/48/555696848.db2.gz XTQWHRDCJCPYIW-KMRXNPHXSA-N 0 0 438.527 5.900 50 30 IKEARN COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001434755 555696860 /nfs/dbraw/zinc/69/68/60/555696860.db2.gz XEOFLJWHOWJEGJ-JIPXPUAJSA-N 0 0 438.527 5.761 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001456567 555699989 /nfs/dbraw/zinc/69/99/89/555699989.db2.gz NFVGQWMKSVJSOC-GAJHUEQPSA-N 0 0 437.561 5.015 50 30 IKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000001459247 555700307 /nfs/dbraw/zinc/70/03/07/555700307.db2.gz AWCFAQPUAJPTMI-WINIVTDRSA-N 0 0 427.523 5.871 50 30 IKEARN CCCCCCCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1 ZINC000001741021 555711483 /nfs/dbraw/zinc/71/14/83/555711483.db2.gz FUJSETUVQUCZPS-UHFFFAOYSA-N 0 0 433.621 7.010 50 30 IKEARN CC(=O)C1=NN(c2ccccc2Cl)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001815197 555718469 /nfs/dbraw/zinc/71/84/69/555718469.db2.gz CZZCNFWZDFAVFD-NRFANRHFSA-N 0 0 443.981 5.481 50 30 IKEARN CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccccc3-c3nc4ccccc4s3)cc2)cc1 ZINC000001955010 555726330 /nfs/dbraw/zinc/72/63/30/555726330.db2.gz PKMWEESBDJNQFX-RDRPBHBLSA-N 0 0 448.547 7.306 50 30 IKEARN CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000002013778 555727572 /nfs/dbraw/zinc/72/75/72/555727572.db2.gz ZXQYGBMAQZUVMI-RDDWSQKMSA-N 0 0 449.856 6.544 50 30 in-man IKEARN O=C(Oc1ccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1)c1ccco1 ZINC000002053120 555729611 /nfs/dbraw/zinc/72/96/11/555729611.db2.gz VNTJKZNWCYVSFE-JFLMPSFJSA-N 0 0 442.858 6.711 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000002055088 555730061 /nfs/dbraw/zinc/73/00/61/555730061.db2.gz DXDXNFACWIRAOJ-HSZRJFAPSA-N 0 0 441.568 5.041 50 30 IKEARN N#CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060614 555731640 /nfs/dbraw/zinc/73/16/40/555731640.db2.gz DNNBYDAITZOXQL-UHFFFAOYSA-N 0 0 433.621 5.864 50 30 biogenic IKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002062028 555732284 /nfs/dbraw/zinc/73/22/84/555732284.db2.gz ZWJUESPZACRXLF-XMMPIXPASA-N 0 0 449.522 5.052 50 30 IKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000002062755 555732478 /nfs/dbraw/zinc/73/24/78/555732478.db2.gz CEOUOPJIPHACFF-UHFFFAOYSA-N 0 0 448.346 6.311 50 30 IKEARN CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000002062825 555732504 /nfs/dbraw/zinc/73/25/04/555732504.db2.gz GEOSYSCYWCMVCF-UHFFFAOYSA-N 0 0 434.319 5.921 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000002063819 555733103 /nfs/dbraw/zinc/73/31/03/555733103.db2.gz OCINQIBDNMBAJJ-GDLZYMKVSA-N 0 0 430.551 7.211 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000002066316 555733369 /nfs/dbraw/zinc/73/33/69/555733369.db2.gz UOHPYJANHWBUCN-DEOSSOPVSA-N 0 0 438.612 5.480 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC ZINC000002066957 555733658 /nfs/dbraw/zinc/73/36/58/555733658.db2.gz VMRRVSTVCGTUNH-HSZRJFAPSA-N 0 0 425.569 5.423 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCCC ZINC000002069362 555734238 /nfs/dbraw/zinc/73/42/38/555734238.db2.gz UFXODLYHZPYKRY-DEOSSOPVSA-N 0 0 425.569 5.567 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N\c3cc(Cl)ccc3OC)NC2=O)c2ccccc12 ZINC000002076514 555736024 /nfs/dbraw/zinc/73/60/24/555736024.db2.gz GZOSVDOXKZIIKG-MTJSOVHGSA-N 0 0 438.936 5.792 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1O ZINC000002081828 555738395 /nfs/dbraw/zinc/73/83/95/555738395.db2.gz SYGYADBSIGVFRH-JWMLTMDESA-N 0 0 430.529 5.826 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1OC ZINC000002082257 555738681 /nfs/dbraw/zinc/73/86/81/555738681.db2.gz QXYJCFCFJPHJHK-LMTJQJACSA-N 0 0 444.556 6.129 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000002082966 555738923 /nfs/dbraw/zinc/73/89/23/555738923.db2.gz VTQQBIKOGKYPLQ-GZAOZUBMSA-N 0 0 430.529 5.826 50 30 IKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000002092562 555741460 /nfs/dbraw/zinc/74/14/60/555741460.db2.gz GDWOIBUCYZPXAM-ZEHKLFRWSA-N 0 0 440.568 6.677 50 30 IKEARN Cc1nn(C)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2 ZINC000002112737 555744408 /nfs/dbraw/zinc/74/44/08/555744408.db2.gz SVHWGRXZNDGIFN-WGFYCLKKSA-N 0 0 440.657 5.754 50 30 IKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000002123448 555745588 /nfs/dbraw/zinc/74/55/88/555745588.db2.gz VWXDWIOGKICPQT-UHFFFAOYSA-N 0 0 437.264 5.630 50 30 IKEARN N#Cc1ccc(/C=N/c2ccc(Cl)cc2Cl)nc1SCc1ccc(Cl)cc1 ZINC000002154343 555750228 /nfs/dbraw/zinc/75/02/28/555750228.db2.gz GNINLXJQPMRHKP-OPEKNORGSA-N 0 0 432.763 6.956 50 30 IKEARN COc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000002167425 555751473 /nfs/dbraw/zinc/75/14/73/555751473.db2.gz GCIPNLHNEJQENX-OQIGUVFWSA-N 0 0 434.539 6.796 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 ZINC000002174302 555752422 /nfs/dbraw/zinc/75/24/22/555752422.db2.gz IXCUEUGQJZAPJT-IVCURSBOSA-N 0 0 437.609 5.977 50 30 IKEARN Oc1ccc(Br)cc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000002186632 555755487 /nfs/dbraw/zinc/75/54/87/555755487.db2.gz WPFBBTWDGNTPRR-FOKLQQMPSA-N 0 0 427.685 6.367 50 30 IKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000002186445 555755563 /nfs/dbraw/zinc/75/55/63/555755563.db2.gz ZAKNNVYAFPNNGJ-BHGWPJFGSA-N 0 0 441.712 6.675 50 30 IKEARN COc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000002296563 555766316 /nfs/dbraw/zinc/76/63/16/555766316.db2.gz IYIASLBJLCLHKV-UHFFFAOYSA-N 0 0 443.572 5.282 50 30 IKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000002307600 555767664 /nfs/dbraw/zinc/76/76/64/555767664.db2.gz RXVHZBBATKSCOU-UHFFFAOYSA-N 0 0 425.956 7.081 50 30 IKEARN Cc1ccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)cc1 ZINC000002317954 555768268 /nfs/dbraw/zinc/76/82/68/555768268.db2.gz PAALBBCBKWIDEL-UHFFFAOYSA-N 0 0 443.338 5.630 50 30 IKEARN CCCCCCCCOc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000002327575 555768929 /nfs/dbraw/zinc/76/89/29/555768929.db2.gz HMAFOTBZOYCUMY-UHFFFAOYSA-N 0 0 441.571 6.813 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)cc1 ZINC000002347186 555770829 /nfs/dbraw/zinc/77/08/29/555770829.db2.gz GLANPKJYUZDVGV-UFWORHAWSA-N 0 0 428.142 5.185 50 30 IKEARN C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000002508664 555785114 /nfs/dbraw/zinc/78/51/14/555785114.db2.gz ODWJMLVLFSNEIS-UHFFFAOYSA-N 0 0 438.622 5.412 50 30 IKEARN COc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000002531220 555786179 /nfs/dbraw/zinc/78/61/79/555786179.db2.gz HXYMPJOEQNIRAL-DHRITJCHSA-N 0 0 443.931 5.387 50 30 IKEARN S=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 ZINC000002542732 555786706 /nfs/dbraw/zinc/78/67/06/555786706.db2.gz VUMZXCIROYJTFK-ZMOGYAJESA-N 0 0 430.360 5.893 50 30 IKEARN O=C(Oc1cccc(/C=N/NC(=S)Nc2ccccc2)c1)c1ccc(Cl)cc1Cl ZINC000002542684 555786749 /nfs/dbraw/zinc/78/67/49/555786749.db2.gz DFJNDTHWHCSTRR-ZMOGYAJESA-N 0 0 444.343 5.533 50 30 IKEARN COc1ccc(C2=C(Nc3ccc(Br)cc3)c3ccccc3C2=O)cc1OC ZINC000002550072 555787285 /nfs/dbraw/zinc/78/72/85/555787285.db2.gz NJIVXCOKRAPPTD-UHFFFAOYSA-N 0 0 436.305 5.643 50 30 IKEARN CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(OC(=O)c2ccccc2Cl)C1 ZINC000002570722 555787886 /nfs/dbraw/zinc/78/78/86/555787886.db2.gz IMLOGDONUFNSQY-UHFFFAOYSA-N 0 0 431.897 5.798 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)Nc2ccc(F)cc2)cc1 ZINC000002597737 555789799 /nfs/dbraw/zinc/78/97/99/555789799.db2.gz YYSNQYSUBGAVBC-CVKSISIWSA-N 0 0 445.523 5.008 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000002755403 555811267 /nfs/dbraw/zinc/81/12/67/555811267.db2.gz GXWXXHPJFWRBGO-RUZDIDTESA-N 0 0 447.600 5.618 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(CC)cc1 ZINC000002757372 555811528 /nfs/dbraw/zinc/81/15/28/555811528.db2.gz LROSTCZLJWODRG-NVQXNPDNSA-N 0 0 429.560 5.564 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000002762222 555813169 /nfs/dbraw/zinc/81/31/69/555813169.db2.gz GQGIMMCFOKBJSU-IVZQSRNASA-N 0 0 425.525 5.202 50 30 IKEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 ZINC000034680150 555813460 /nfs/dbraw/zinc/81/34/60/555813460.db2.gz KQGZULYDUHCNJQ-UHFFFAOYSA-N 0 0 441.575 5.098 50 30 IKEARN Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cnn(C)c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002767932 555814262 /nfs/dbraw/zinc/81/42/62/555814262.db2.gz SKSYCUAYYKHFOS-UHFFFAOYSA-N 0 0 443.591 5.619 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002772131 555816049 /nfs/dbraw/zinc/81/60/49/555816049.db2.gz VWUKHNZLIVHJRM-QHCPKHFHSA-N 0 0 425.544 5.696 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl ZINC000002775343 555817526 /nfs/dbraw/zinc/81/75/26/555817526.db2.gz ZFAYHMDKIHHFJC-MHECFPHRSA-N 0 0 435.951 5.655 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 ZINC000002775522 555817749 /nfs/dbraw/zinc/81/77/49/555817749.db2.gz YZWSCBAAIOOYLZ-NRFANRHFSA-N 0 0 445.650 5.309 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002784247 555820160 /nfs/dbraw/zinc/82/01/60/555820160.db2.gz YNMSAXPRGZAOGJ-NTKDMRAZSA-N 0 0 435.951 5.655 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002795857 555822194 /nfs/dbraw/zinc/82/21/94/555822194.db2.gz CGOHDXAYDRPWCW-HXUWFJFHSA-N 0 0 436.379 5.941 50 30 IKEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002796779 555822841 /nfs/dbraw/zinc/82/28/41/555822841.db2.gz QELPQVZNPVKPDI-NRFANRHFSA-N 0 0 446.513 5.322 50 30 IKEARN CCCCN1C2=C(C(=O)c3ccccc32)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000002826398 555830960 /nfs/dbraw/zinc/83/09/60/555830960.db2.gz BCYMOPRIXVTDCA-QFIPXVFZSA-N 0 0 428.488 5.409 50 30 IKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])o4)cc3)cc2)o1 ZINC000002831710 555832070 /nfs/dbraw/zinc/83/20/70/555832070.db2.gz FTUASASANQQDGN-RNIAWFEPSA-N 0 0 430.376 5.857 50 30 IKEARN CC(=O)Oc1ccc(Br)c(/C=C2\N=C(SCc3ccccc3)SC2=O)c1 ZINC000002834280 555832279 /nfs/dbraw/zinc/83/22/79/555832279.db2.gz WJOHGQVRNTZRNN-YVLHZVERSA-N 0 0 448.363 5.278 50 30 IKEARN COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)ccc1OCc1ccccc1 ZINC000002834975 555832356 /nfs/dbraw/zinc/83/23/56/555832356.db2.gz IDHVZPHIXKUNDK-STZFKDTASA-N 0 0 447.581 6.178 50 30 IKEARN Clc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3Cl)cc2)cc1 ZINC000002839579 555834648 /nfs/dbraw/zinc/83/46/48/555834648.db2.gz GQKVLCYBPQSKBZ-YAGSLNJISA-N 0 0 429.350 8.162 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccco2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000002844406 555837006 /nfs/dbraw/zinc/83/70/06/555837006.db2.gz YVXMMMIGPJJACV-QYBDOPJKSA-N 0 0 449.522 5.656 50 30 IKEARN CCCCCCCCc1nnc(NC(=O)c2ccccc2I)s1 ZINC000002848948 555838461 /nfs/dbraw/zinc/83/84/61/555838461.db2.gz WTOCXUUQXCXJAH-UHFFFAOYSA-N 0 0 443.354 5.298 50 30 IKEARN CCOc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OCC)cc4)cc3)cc2)cc1 ZINC000002854222 555840772 /nfs/dbraw/zinc/84/07/72/555840772.db2.gz OFNDXGZORJDPCN-RWRHWQIFSA-N 0 0 448.566 7.652 50 30 IKEARN Cc1cc(C)c(/C=N/c2ccc(-c3ccc(/N=C/c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 ZINC000002894930 555860280 /nfs/dbraw/zinc/86/02/80/555860280.db2.gz BYFNOEVGTLAECE-ZXHXELASSA-N 0 0 444.622 8.705 50 30 IKEARN O=C1c2ccccc2S/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000002901652 555860962 /nfs/dbraw/zinc/86/09/62/555860962.db2.gz ZSBCAFVMOKKWIF-FOKLQQMPSA-N 0 0 436.363 7.326 50 30 IKEARN COc1c(Sc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(C)nn1-c1ccccc1 ZINC000003045088 555882722 /nfs/dbraw/zinc/88/27/22/555882722.db2.gz CZYDIVLBEJSXTN-UHFFFAOYSA-N 0 0 436.352 5.916 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000003098431 555886451 /nfs/dbraw/zinc/88/64/51/555886451.db2.gz AVKQDJNVEBZLAT-VWLOTQADSA-N 0 0 431.532 5.187 50 30 IKEARN O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(I)cc1 ZINC000003120266 555889133 /nfs/dbraw/zinc/88/91/33/555889133.db2.gz XFCACBRAXJZNNR-CMDGGOBGSA-N 0 0 435.113 6.087 50 30 IKEARN O=C(O/N=C/c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1)c1cccs1 ZINC000003127565 555889958 /nfs/dbraw/zinc/88/99/58/555889958.db2.gz ZRSWFDVIZCNMJK-YSURURNPSA-N 0 0 442.871 6.157 50 30 IKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000003131720 555890526 /nfs/dbraw/zinc/89/05/26/555890526.db2.gz YJHDGLNIWASIDN-UFFVCSGVSA-N 0 0 435.292 5.482 50 30 IKEARN S=C(NCCc1ccccc1)N/N=C/c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000003131814 555890532 /nfs/dbraw/zinc/89/05/32/555890532.db2.gz GEXNJOFJSKJJGY-JVWAILMASA-N 0 0 432.980 5.529 50 30 IKEARN CCCCCCCC(=O)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003147792 555892076 /nfs/dbraw/zinc/89/20/76/555892076.db2.gz SJZMFSKESUOBNN-HNNXBMFYSA-N 0 0 445.612 6.001 50 30 IKEARN CCOc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000003162277 555893011 /nfs/dbraw/zinc/89/30/11/555893011.db2.gz MEKIPJCVSPLZFX-KIBLKLHPSA-N 0 0 435.393 5.443 50 30 IKEARN Cc1c(/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003189417 555895596 /nfs/dbraw/zinc/89/55/96/555895596.db2.gz PNKDORBZKGUUQR-VEILYXNESA-N 0 0 433.515 5.088 50 30 IKEARN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000003655232 555944278 /nfs/dbraw/zinc/94/42/78/555944278.db2.gz SCFHWZBBYMSUMU-HSZRJFAPSA-N 0 0 449.624 6.170 50 30 IKEARN O=C(/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000004030935 555953914 /nfs/dbraw/zinc/95/39/14/555953914.db2.gz KIFCNWJRTXNGKJ-NGBZPGHQSA-N 0 0 428.535 7.100 50 30 IKEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004047854 555955479 /nfs/dbraw/zinc/95/54/79/555955479.db2.gz AGQNVTZMIXEHKC-ZTOMLWHTSA-N 0 0 437.587 6.512 50 30 IKEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004047853 555955483 /nfs/dbraw/zinc/95/54/83/555955483.db2.gz AGQNVTZMIXEHKC-PZGXJGMVSA-N 0 0 437.587 6.512 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1coc3ccc(Cl)cc3c1=O)C1=C(CC(C)(C)CC1=O)N2 ZINC000004047472 555955549 /nfs/dbraw/zinc/95/55/49/555955549.db2.gz SAMOLXWGCCRQHP-DEOSSOPVSA-N 0 0 448.950 6.285 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004060367 555956590 /nfs/dbraw/zinc/95/65/90/555956590.db2.gz NEPCHUHGUTUJFW-KBMIEXCESA-N 0 0 431.532 5.010 50 30 IKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004061504 555956935 /nfs/dbraw/zinc/95/69/35/555956935.db2.gz PNOZYXWTWMGNKG-DEOSSOPVSA-N 0 0 437.580 5.565 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000004064193 555957105 /nfs/dbraw/zinc/95/71/05/555957105.db2.gz TWRWTRGHSIGDHC-RUZDIDTESA-N 0 0 431.532 5.187 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000004064495 555957182 /nfs/dbraw/zinc/95/71/82/555957182.db2.gz XSNLCTYJONDVHU-AKJBCIBTSA-N 0 0 448.925 6.467 50 30 biogenic,in-vitro IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1 ZINC000004064491 555957223 /nfs/dbraw/zinc/95/72/23/555957223.db2.gz XSNLCTYJONDVHU-DXPJPUQTSA-N 0 0 448.925 6.467 50 30 biogenic,in-vitro IKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004065171 555957408 /nfs/dbraw/zinc/95/74/08/555957408.db2.gz DYIZXSBIONMLTR-QYBDOPJKSA-N 0 0 447.003 7.041 50 30 IKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000004065112 555957431 /nfs/dbraw/zinc/95/74/31/555957431.db2.gz HFWYMXXBUFGSLR-UZTOHYMASA-N 0 0 444.962 6.718 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2 ZINC000004065635 555957463 /nfs/dbraw/zinc/95/74/63/555957463.db2.gz LNVYGCRQHNZVOG-NSYGIPOTSA-N 0 0 435.354 6.973 50 30 IKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000004075113 555958367 /nfs/dbraw/zinc/95/83/67/555958367.db2.gz CFAAYVLWXFPNFY-CLYVBNDRSA-N 0 0 440.499 5.403 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000004078803 555958681 /nfs/dbraw/zinc/95/86/81/555958681.db2.gz LBSCKXDYZKHMGB-QLXKLKPCSA-N 0 0 444.918 6.048 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000004082200 555958896 /nfs/dbraw/zinc/95/88/96/555958896.db2.gz WGXUZVDOIBYSGG-QFIPXVFZSA-N 0 0 443.360 6.427 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 ZINC000004082571 555959279 /nfs/dbraw/zinc/95/92/79/555959279.db2.gz ZVNIIVXBILHVGW-LMKMVOKYSA-N 0 0 435.354 6.973 50 30 IKEARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C ZINC000004095521 555961935 /nfs/dbraw/zinc/96/19/35/555961935.db2.gz QYIMSPSDBYKPPY-RSKUXYSASA-N 0 0 426.729 9.816 50 30 in-man,metabolite IKEARN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)c(Cl)c1 ZINC000004109503 555963415 /nfs/dbraw/zinc/96/34/15/555963415.db2.gz YRILAAGUUZKFFU-WYMPLXKRSA-N 0 0 428.344 6.628 50 30 IKEARN Clc1ccc(Cn2cc(C=NNc3nc4ccccc4[nH]3)c3ccccc32)cc1Cl ZINC000004108632 555963459 /nfs/dbraw/zinc/96/34/59/555963459.db2.gz BOQXFCVTCKUCLB-RPPGKUMJSA-N 0 0 434.330 6.319 50 30 IKEARN S=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)Nc1ccccc1 ZINC000004231428 555977835 /nfs/dbraw/zinc/97/78/35/555977835.db2.gz JGFLIJSDRZGSSS-OEAKJJBVSA-N 0 0 440.366 5.349 50 30 IKEARN Fc1ccc(COc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)cc1 ZINC000004282931 555982788 /nfs/dbraw/zinc/98/27/88/555982788.db2.gz KDGCRHRJPRVANC-JVWAILMASA-N 0 0 435.568 5.689 50 30 IKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004285261 555982883 /nfs/dbraw/zinc/98/28/83/555982883.db2.gz HCTLUVVPAJEIAS-HSZRJFAPSA-N 0 0 425.569 5.421 50 30 IKEARN COc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000004371412 555990788 /nfs/dbraw/zinc/99/07/88/555990788.db2.gz PUPGKKCPLWYJLH-MUPYBJATSA-N 0 0 425.528 5.256 50 30 IKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000004417967 555993910 /nfs/dbraw/zinc/99/39/10/555993910.db2.gz INFUVSOZCYBBND-RUZDIDTESA-N 0 0 437.580 5.709 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004635557 556004526 /nfs/dbraw/zinc/00/45/26/556004526.db2.gz CDXZMWKCWCVSJZ-RUZDIDTESA-N 0 0 447.554 5.279 50 30 IKEARN CCCCc1cc(CCCC)nc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000004671200 556005923 /nfs/dbraw/zinc/00/59/23/556005923.db2.gz WRRUFYVWLPFFTB-MTDXEUNCSA-N 0 0 438.660 6.908 50 30 IKEARN CC1(C)CC(=O)C=C(NCCCN(C(=O)Nc2ccc(Cl)cc2)C2CCCCC2)C1 ZINC000004679026 556005926 /nfs/dbraw/zinc/00/59/26/556005926.db2.gz UQLNAUAWXHYCHO-UHFFFAOYSA-N 0 0 432.008 5.759 50 30 IKEARN CCN(CC)c1ccc([C@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004794675 556012133 /nfs/dbraw/zinc/01/21/33/556012133.db2.gz LTDKSJCNNZLYJX-XMMPIXPASA-N 0 0 434.580 5.751 50 30 IKEARN COc1cc2c(c(OC)c1OC)[C@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794453 556012239 /nfs/dbraw/zinc/01/22/39/556012239.db2.gz UBSHQMLVNOBBER-HXUWFJFHSA-N 0 0 439.577 5.635 50 30 IKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 ZINC000005092538 556032082 /nfs/dbraw/zinc/03/20/82/556032082.db2.gz KNSLAUYCFAAQEL-UZTOHYMASA-N 0 0 427.548 6.105 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000006077001 556074877 /nfs/dbraw/zinc/07/48/77/556074877.db2.gz LALRTYWBIYNSER-NDEPHWFRSA-N 0 0 441.571 6.945 50 30 IKEARN COc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000006077162 556074946 /nfs/dbraw/zinc/07/49/46/556074946.db2.gz APMJSVUKEGGGQT-XMMPIXPASA-N 0 0 443.543 6.066 50 30 IKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OC ZINC000006089734 556076389 /nfs/dbraw/zinc/07/63/89/556076389.db2.gz UYDAAXFSHMLTJY-MRDQGFSESA-N 0 0 446.572 6.135 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCCC ZINC000006162080 556078879 /nfs/dbraw/zinc/07/88/79/556078879.db2.gz VKDJRACXIQOLNS-DEOSSOPVSA-N 0 0 439.596 5.813 50 30 IKEARN CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006162441 556078942 /nfs/dbraw/zinc/07/89/42/556078942.db2.gz OWTBQNHTJKZQRR-VWLOTQADSA-N 0 0 446.547 5.091 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(O)c(OC)c2)C1=O ZINC000006173525 556079247 /nfs/dbraw/zinc/07/92/47/556079247.db2.gz FZLDJJMDDDSASE-STZFKDTASA-N 0 0 447.512 5.098 50 30 IKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 ZINC000006239651 556081922 /nfs/dbraw/zinc/08/19/22/556081922.db2.gz PHEASQZZEASOHK-QFIPXVFZSA-N 0 0 449.890 5.140 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)c1 ZINC000006442956 556087604 /nfs/dbraw/zinc/08/76/04/556087604.db2.gz DBKOVHVHAYCADO-XMMPIXPASA-N 0 0 430.548 5.246 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000006446074 556088517 /nfs/dbraw/zinc/08/85/17/556088517.db2.gz AKIZFOBIXPHFNG-UBFVSLLYSA-N 0 0 435.914 5.624 50 30 IKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1 ZINC000006498691 556091798 /nfs/dbraw/zinc/09/17/98/556091798.db2.gz COFDEJPZEYLXTK-MRDQGFSESA-N 0 0 428.488 5.112 50 30 IKEARN C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 ZINC000002728296 556133665 /nfs/dbraw/zinc/13/36/65/556133665.db2.gz FGWAHUJFZHMURR-BJUXRVGASA-N 0 0 434.348 5.140 50 30 IKEARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)F ZINC000002761181 556135420 /nfs/dbraw/zinc/13/54/20/556135420.db2.gz LWVQFAVRWYJTLP-UHFFFAOYSA-N 0 0 448.363 6.898 50 30 IKEARN C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc4ccccc43)nc21 ZINC000002779943 556141634 /nfs/dbraw/zinc/14/16/34/556141634.db2.gz AFLOTTAZXLHWBC-UHFFFAOYSA-N 0 0 425.517 5.050 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000002911383 556148802 /nfs/dbraw/zinc/14/88/02/556148802.db2.gz SQTQMBMPKQOGIN-UHFFFAOYSA-N 0 0 445.592 5.577 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(SC)cc2)C1=O ZINC000002898876 556149442 /nfs/dbraw/zinc/14/94/42/556149442.db2.gz RZTQDOUJVFDNMR-SFQUDFHCSA-N 0 0 431.966 5.606 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000008035045 556149544 /nfs/dbraw/zinc/14/95/44/556149544.db2.gz FNPHNLNTJNMAEE-HSZRJFAPSA-O 0 0 428.678 6.341 50 30 endogenous,in-man IKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000008384339 556159991 /nfs/dbraw/zinc/15/99/91/556159991.db2.gz IQGAOGMWSBUQIZ-JOCHJYFZSA-N 0 0 435.476 5.138 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Br)cc1 ZINC000008384724 556160569 /nfs/dbraw/zinc/16/05/69/556160569.db2.gz BHAXSCXMDQIWTO-LSHDLFTRSA-N 0 0 441.181 6.716 50 30 IKEARN Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@@]2(O)CC(C)(C)C[C@@](C)(C3)C2)cc1 ZINC000008385075 556160877 /nfs/dbraw/zinc/16/08/77/556160877.db2.gz QAQUQGOMHJOOAE-RRJWIBSJSA-N 0 0 444.641 5.097 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1 ZINC000008396081 556163317 /nfs/dbraw/zinc/16/33/17/556163317.db2.gz QEPHNXKTLMAJFR-MKRFAJQFSA-N 0 0 428.513 5.841 50 30 IKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CCCC)c(O)c2)cc1 ZINC000008397208 556163830 /nfs/dbraw/zinc/16/38/30/556163830.db2.gz YXGDCQVNUOMIRC-UHFFFAOYSA-N 0 0 426.553 6.724 50 30 biogenic IKEARN CCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000008397664 556164209 /nfs/dbraw/zinc/16/42/09/556164209.db2.gz IICLHPKUGWRTLL-UHFFFAOYSA-N 0 0 426.689 7.869 50 30 IKEARN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000008400313 556165904 /nfs/dbraw/zinc/16/59/04/556165904.db2.gz GGBBMSWLFJOFMQ-SDNWHVSQSA-N 0 0 441.708 6.218 50 30 IKEARN CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000008403711 556166553 /nfs/dbraw/zinc/16/65/53/556166553.db2.gz HYCZJKCVFPLUDE-UHFFFAOYSA-N 0 0 438.564 5.884 50 30 IKEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000008407954 556166726 /nfs/dbraw/zinc/16/67/26/556166726.db2.gz FELINXJLPXJNFQ-XMMPIXPASA-N 0 0 436.552 5.407 50 30 IKEARN COc1cccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008415129 556167734 /nfs/dbraw/zinc/16/77/34/556167734.db2.gz OVUKUJSLCIKTLD-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1Cl ZINC000003050628 556167747 /nfs/dbraw/zinc/16/77/47/556167747.db2.gz KFLDXBDMQXEMAV-WYMPLXKRSA-N 0 0 441.712 6.670 50 30 IKEARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(Cl)c1 ZINC000008427440 556169767 /nfs/dbraw/zinc/16/97/67/556169767.db2.gz DBRLQGAIQIOXTM-ZVHZXABRSA-N 0 0 442.354 5.358 50 30 IKEARN O=C(Nc1cnc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000008427484 556169886 /nfs/dbraw/zinc/16/98/86/556169886.db2.gz CDQVRAGVPQHMQF-UHFFFAOYSA-N 0 0 440.212 5.277 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)ccc1Cl ZINC000008427592 556169904 /nfs/dbraw/zinc/16/99/04/556169904.db2.gz HLSNRBQKSWSFBT-BHGWPJFGSA-N 0 0 445.693 6.620 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000008431162 556170875 /nfs/dbraw/zinc/17/08/75/556170875.db2.gz ZXOVSPPEKNYKJJ-KDDHIZETSA-N 0 0 439.353 5.274 50 30 IKEARN O=C1c2ccccc2C(=O)C1=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 ZINC000008435141 556173127 /nfs/dbraw/zinc/17/31/27/556173127.db2.gz PLBSVQLQQZNUDL-UHFFFAOYSA-N 0 0 445.519 5.038 50 30 IKEARN Oc1ccc(Br)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000008434869 556173139 /nfs/dbraw/zinc/17/31/39/556173139.db2.gz SJJRXZMXRBDOLO-ZVHZXABRSA-N 0 0 446.308 5.120 50 30 IKEARN COc1cc(C(=O)/C(=C/c2cccc(Cl)c2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000008437050 556173622 /nfs/dbraw/zinc/17/36/22/556173622.db2.gz CEDGMPQHEBUTKF-PDGQHHTCSA-N 0 0 449.890 5.931 50 30 IKEARN COc1ccccc1/C=C(/C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1 ZINC000008437065 556173626 /nfs/dbraw/zinc/17/36/26/556173626.db2.gz KMBMKFGUZRMKPM-AQTBWJFISA-N 0 0 445.471 5.286 50 30 IKEARN Oc1ccc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 ZINC000008437368 556173711 /nfs/dbraw/zinc/17/37/11/556173711.db2.gz BNBBLDQDZZCMRB-OAMFTAOGSA-N 0 0 445.320 5.651 50 30 IKEARN CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000008438037 556174325 /nfs/dbraw/zinc/17/43/25/556174325.db2.gz DQXVIDBRVRIHAD-UINIZAEWSA-N 0 0 430.573 6.561 50 30 IKEARN Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1 ZINC000008439130 556175149 /nfs/dbraw/zinc/17/51/49/556175149.db2.gz ZFRALANELFGRLF-XTCLZLMSSA-N 0 0 447.581 5.662 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000008439316 556175459 /nfs/dbraw/zinc/17/54/59/556175459.db2.gz VSMDTURROHSZGZ-XMMPIXPASA-N 0 0 435.589 5.446 50 30 IKEARN CSC1=N/C(=N\c2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccc(C)cc1 ZINC000008442445 556177374 /nfs/dbraw/zinc/17/73/74/556177374.db2.gz UTLMYUDGMRNLBZ-OOAXWGSJSA-N 0 0 431.527 6.986 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000008443861 556178657 /nfs/dbraw/zinc/17/86/57/556178657.db2.gz CXNLWRAUFBFSFO-MHZLTWQESA-N 0 0 446.591 6.419 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000008445230 556179204 /nfs/dbraw/zinc/17/92/04/556179204.db2.gz KBJYLXCDJFHQBD-HZHRSRAPSA-N 0 0 430.577 5.360 50 30 IKEARN C=CCN1c2ccccc2/C(=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C1=O ZINC000008444669 556179235 /nfs/dbraw/zinc/17/92/35/556179235.db2.gz CGLWHPDRLXTWGC-WEMUOSSPSA-N 0 0 441.556 5.533 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000008448576 556180410 /nfs/dbraw/zinc/18/04/10/556180410.db2.gz YBPJLLRZEYXKSF-SDHSZQHLSA-N 0 0 437.449 5.249 50 30 IKEARN Cc1nnc(/N=C(/N2N=C(C)S[C@H]2c2ccc(C)cc2)N2CCc3ccccc3C2)s1 ZINC000008448145 556180457 /nfs/dbraw/zinc/18/04/57/556180457.db2.gz MRYZLGGBZOLKEJ-ZGBROZEESA-N 0 0 448.621 5.282 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O ZINC000008448955 556180704 /nfs/dbraw/zinc/18/07/04/556180704.db2.gz MFWNATYOSPLEQG-UHFFFAOYSA-N 0 0 437.536 5.793 50 30 IKEARN CCOc1cc(N(CC)CC)ccc1/C=C1\S/C(=N/c2ccc(OC)cc2)N(C)C1=O ZINC000008450463 556181265 /nfs/dbraw/zinc/18/12/65/556181265.db2.gz CHLBOIBYKICALE-HLTANSAUSA-N 0 0 439.581 5.174 50 30 IKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C2=N)S1 ZINC000008450616 556181539 /nfs/dbraw/zinc/18/15/39/556181539.db2.gz ZCZZIURTVXSTSD-QTQSCGLDSA-N 0 0 425.602 5.512 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3c(C)[nH]c4ccccc43)C(=O)N2C2CCCCC2)cc1 ZINC000008451630 556182289 /nfs/dbraw/zinc/18/22/89/556182289.db2.gz YBGYWIGKLVPOKY-WFFFFOTMSA-N 0 0 445.588 6.422 50 30 IKEARN Cc1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1[N+](=O)[O-] ZINC000008452131 556182817 /nfs/dbraw/zinc/18/28/17/556182817.db2.gz BEEOUECHRQGAQE-JAIQZWGSSA-N 0 0 447.232 5.214 50 30 IKEARN COc1c(Cl)cc(Cl)cc1/C=C\C(=O)/C=C\c1cc(Cl)cc(Cl)c1OC ZINC000097402282 556186506 /nfs/dbraw/zinc/18/65/06/556186506.db2.gz XZWYIFJCMITUSW-GLIMQPGKSA-N 0 0 432.130 6.613 50 30 IKEARN N#CCCN(CCc1ccccn1)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008637280 556195349 /nfs/dbraw/zinc/19/53/49/556195349.db2.gz MBOOEDUQJBDYAV-UHFFFAOYSA-N 0 0 446.420 5.274 50 30 IKEARN COc1ccc(/C=N/NC(=S)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1OCc1ccccc1 ZINC000008648733 556196295 /nfs/dbraw/zinc/19/62/95/556196295.db2.gz JZZUWEHFCXEDNH-BETYUBHXSA-N 0 0 439.625 5.287 50 30 IKEARN O=[N+]([O-])c1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1 ZINC000008670709 556198333 /nfs/dbraw/zinc/19/83/33/556198333.db2.gz AMFHUDPQIPHXIT-SRZZPIQSSA-N 0 0 438.241 5.007 50 30 IKEARN COc1cc(/C=C2/CCC/C(=C\c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000008672196 556198507 /nfs/dbraw/zinc/19/85/07/556198507.db2.gz TYDRJXNCYVKYQC-QSPLRUFESA-N 0 0 435.303 5.642 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000008740571 556206124 /nfs/dbraw/zinc/20/61/24/556206124.db2.gz WGDCIXFXFONXPR-OAQYLSRUSA-N 0 0 434.467 5.203 50 30 IKEARN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000008741896 556207321 /nfs/dbraw/zinc/20/73/21/556207321.db2.gz FJNMRFSIFOTQDI-YMVPSHTBSA-N 0 0 443.528 5.054 50 30 IKEARN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000008741895 556207405 /nfs/dbraw/zinc/20/74/05/556207405.db2.gz FJNMRFSIFOTQDI-MCMRFMRISA-N 0 0 443.528 5.054 50 30 IKEARN S=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)Nc1ccccc1 ZINC000008798190 556216457 /nfs/dbraw/zinc/21/64/57/556216457.db2.gz SKHSWEXQCFPPSK-OEAKJJBVSA-N 0 0 440.366 5.349 50 30 IKEARN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000008829908 556225191 /nfs/dbraw/zinc/22/51/91/556225191.db2.gz BLHUVRPHLDLWRE-LJQANCHMSA-N 0 0 435.376 5.300 50 30 aggregator IKEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2 ZINC000008830089 556225209 /nfs/dbraw/zinc/22/52/09/556225209.db2.gz XGBYPXJUPDRINW-CKLBMXLLSA-N 0 0 432.387 5.211 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C(F)(F)F)cc1 ZINC000008846694 556227163 /nfs/dbraw/zinc/22/71/63/556227163.db2.gz SWLSQKIALIIEJM-DWXRJYCRSA-N 0 0 448.488 6.993 50 30 IKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000008846663 556227204 /nfs/dbraw/zinc/22/72/04/556227204.db2.gz NVTWIXACOHQGCP-SOKVYYICSA-N 0 0 444.962 6.718 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000008857451 556227739 /nfs/dbraw/zinc/22/77/39/556227739.db2.gz RJURTOCYQLFIPM-VOIUYBSRSA-N 0 0 437.561 5.497 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000008857449 556227769 /nfs/dbraw/zinc/22/77/69/556227769.db2.gz RJURTOCYQLFIPM-FYSMJZIKSA-N 0 0 437.561 5.497 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Br)s1 ZINC000008915863 556232561 /nfs/dbraw/zinc/23/25/61/556232561.db2.gz VFLMLKZQKXIGEF-JOCHJYFZSA-N 0 0 438.390 6.864 50 30 IKEARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1 ZINC000008922676 556233844 /nfs/dbraw/zinc/23/38/44/556233844.db2.gz ZDYOQYKUGJUPFX-HEAKDJBOSA-N 0 0 431.919 5.055 50 30 IKEARN Clc1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1 ZINC000008926470 556234425 /nfs/dbraw/zinc/23/44/25/556234425.db2.gz MKWCIIWYDTXTQS-FSJBWODESA-N 0 0 426.701 6.357 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000008995746 556239377 /nfs/dbraw/zinc/23/93/77/556239377.db2.gz XXOXHKPAFDFNLX-MNNSJKJDSA-N 0 0 436.555 6.306 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000009007667 556239973 /nfs/dbraw/zinc/23/99/73/556239973.db2.gz PCRKUKVZFKDURX-FQEVSTJZSA-N 0 0 434.289 5.232 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1 ZINC000009010456 556240916 /nfs/dbraw/zinc/24/09/16/556240916.db2.gz HGIGHMZGXILPRD-PEBXRYMYSA-N 0 0 427.953 5.245 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009042855 556242337 /nfs/dbraw/zinc/24/23/37/556242337.db2.gz BVALXJPFVYPUFN-JOCHJYFZSA-N 0 0 446.572 5.975 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000009046068 556242802 /nfs/dbraw/zinc/24/28/02/556242802.db2.gz WEWIQWUUBJGZRD-AREMUKBSSA-N 0 0 446.547 5.749 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000009046710 556243118 /nfs/dbraw/zinc/24/31/18/556243118.db2.gz ZOUWHWFPLPEONG-QFIPXVFZSA-N 0 0 449.890 5.140 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009065148 556244538 /nfs/dbraw/zinc/24/45/38/556244538.db2.gz RIUCOGLEHBNCHB-OAQYLSRUSA-N 0 0 427.928 5.078 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000009089010 556245792 /nfs/dbraw/zinc/24/57/92/556245792.db2.gz PTGBUASYOOSAHH-QFIPXVFZSA-N 0 0 449.890 5.140 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000009191629 556254116 /nfs/dbraw/zinc/25/41/16/556254116.db2.gz QZJAJWSFAMOGSR-CLYVBNDRSA-N 0 0 442.515 5.599 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009241464 556266656 /nfs/dbraw/zinc/26/66/56/556266656.db2.gz TVYGVLXBISWPIF-IBGZPJMESA-N 0 0 436.508 5.363 50 30 IKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000009245000 556267045 /nfs/dbraw/zinc/26/70/45/556267045.db2.gz KLYJGJVPWCCSDE-MTJSOVHGSA-N 0 0 430.533 5.191 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000009261297 556269009 /nfs/dbraw/zinc/26/90/09/556269009.db2.gz MHLVNAVXAAAOCB-GZTJUZNOSA-N 0 0 446.981 6.583 50 30 IKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000009261362 556269272 /nfs/dbraw/zinc/26/92/72/556269272.db2.gz ZTACLTQPBXAYSE-FOWTUZBSSA-N 0 0 436.364 5.858 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1 ZINC000009264175 556270192 /nfs/dbraw/zinc/27/01/92/556270192.db2.gz JPBLRQVNZTYZAI-VWLOTQADSA-N 0 0 443.934 6.552 50 30 IKEARN CCCNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009264283 556270351 /nfs/dbraw/zinc/27/03/51/556270351.db2.gz IXTIJJBSFVIQTD-AFMDSPMNSA-N 0 0 441.531 5.773 50 30 IKEARN COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000009264188 556270372 /nfs/dbraw/zinc/27/03/72/556270372.db2.gz HANDTTIIHNGZHT-HHHXNRCGSA-N 0 0 444.962 6.529 50 30 IKEARN CCCNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009264282 556270429 /nfs/dbraw/zinc/27/04/29/556270429.db2.gz IXTIJJBSFVIQTD-SIBVEZHUSA-N 0 0 441.531 5.773 50 30 IKEARN Clc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)c(Cl)c1 ZINC000009296486 556275545 /nfs/dbraw/zinc/27/55/45/556275545.db2.gz HTVOUBMYUBSZKI-WYMPLXKRSA-N 0 0 428.344 6.628 50 30 IKEARN CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000009304632 556276253 /nfs/dbraw/zinc/27/62/53/556276253.db2.gz DQXVIDBRVRIHAD-HXNPFYCNSA-N 0 0 430.573 6.561 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000009304640 556276259 /nfs/dbraw/zinc/27/62/59/556276259.db2.gz VDFSRGUKTMXNFI-DZNDYGJHSA-N 0 0 444.556 5.551 50 30 IKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccco2)cc1 ZINC000009332486 556283206 /nfs/dbraw/zinc/28/32/06/556283206.db2.gz PMKHIXTVTHTQKW-CPJLOUKISA-N 0 0 428.488 5.355 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009379704 556286786 /nfs/dbraw/zinc/28/67/86/556286786.db2.gz XXDZLOJRLNTJLA-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009379997 556287021 /nfs/dbraw/zinc/28/70/21/556287021.db2.gz MALXMVHNCKIESU-JOCHJYFZSA-N 0 0 433.891 5.127 50 30 IKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)cc2Cl)Nc2ccccc2)n1 ZINC000009383344 556287516 /nfs/dbraw/zinc/28/75/16/556287516.db2.gz ZXXFTYWKPHPDFG-UHFFFAOYSA-N 0 0 429.311 5.512 50 30 IKEARN COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)ccc1O ZINC000009434258 556291478 /nfs/dbraw/zinc/29/14/78/556291478.db2.gz SQEHLXZIOVCQDW-AREMUKBSSA-N 0 0 440.499 5.218 50 30 IKEARN O=C1Nc2ccccc2C1=NNc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000009444025 556292084 /nfs/dbraw/zinc/29/20/84/556292084.db2.gz KTLMUCNNSHYFAO-UHFFFAOYSA-N 0 0 425.517 5.005 50 30 IKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009472366 556293496 /nfs/dbraw/zinc/29/34/96/556293496.db2.gz KHYOPUZNBHHDRP-HSZRJFAPSA-N 0 0 447.462 5.070 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)c3cccs3)[C@H]2c2ccccc2)C1 ZINC000009482806 556294261 /nfs/dbraw/zinc/29/42/61/556294261.db2.gz CJXHSLSYBRACAX-QFIPXVFZSA-N 0 0 429.545 5.600 50 30 IKEARN CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1 ZINC000009542082 556297382 /nfs/dbraw/zinc/29/73/82/556297382.db2.gz TZKRCBPRLXRXGF-MQRLXVCBSA-N 0 0 449.668 6.525 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccc(Cl)c3)C12 ZINC000009546526 556297389 /nfs/dbraw/zinc/29/73/89/556297389.db2.gz LDLXGEDURBQYLF-CMJOXMDJSA-N 0 0 431.948 6.167 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000009546457 556297397 /nfs/dbraw/zinc/29/73/97/556297397.db2.gz YCESPSWTHZCRKN-VWLOTQADSA-N 0 0 447.534 6.417 50 30 IKEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3F)C12 ZINC000009546530 556297648 /nfs/dbraw/zinc/29/76/48/556297648.db2.gz ASXJGZULURUIJB-CPJLOUKISA-N 0 0 443.909 6.245 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000009559906 556298899 /nfs/dbraw/zinc/29/88/99/556298899.db2.gz GIPWOQUJELTBGT-BBRMVZONSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000009559911 556298906 /nfs/dbraw/zinc/29/89/06/556298906.db2.gz HRGKDTWDANVPNH-HUUCEWRRSA-N 0 0 446.330 5.015 50 30 IKEARN CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 ZINC000013750768 556299067 /nfs/dbraw/zinc/29/90/67/556299067.db2.gz YNCSCLNDOVUXRG-UYRXBGFRSA-N 0 0 446.557 5.761 50 30 IKEARN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1O ZINC000009560079 556299472 /nfs/dbraw/zinc/29/94/72/556299472.db2.gz YDFSVUSOZNKRKV-ZFWWWQNUSA-N 0 0 446.330 5.102 50 30 IKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1O ZINC000013757076 556300710 /nfs/dbraw/zinc/30/07/10/556300710.db2.gz JHPNMJNLVLGJJQ-BRJLIKDPSA-N 0 0 439.302 5.764 50 30 IKEARN COc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000013756657 556300852 /nfs/dbraw/zinc/30/08/52/556300852.db2.gz ZYEATRUJSVVDHW-FKIVBMLTSA-N 0 0 431.539 6.802 50 30 IKEARN O=c1[nH]c(NN=Cc2ccc(Br)cc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000013764663 556302509 /nfs/dbraw/zinc/30/25/09/556302509.db2.gz UOWICHDFQYVCOI-AFUMVMLFSA-N 0 0 449.352 5.013 50 30 IKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000009678760 556305786 /nfs/dbraw/zinc/30/57/86/556305786.db2.gz VUZDVWRSUQXVCN-KPURRNSFSA-N 0 0 438.571 6.763 50 30 IKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 ZINC000009761316 556308324 /nfs/dbraw/zinc/30/83/24/556308324.db2.gz HAAUAOQFPSNHAJ-IBGZPJMESA-N 0 0 442.968 5.054 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1ccccn1 ZINC000009781045 556308503 /nfs/dbraw/zinc/30/85/03/556308503.db2.gz QMGDOYHVSKMPAY-HXUWFJFHSA-N 0 0 444.560 5.070 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1ccccn1 ZINC000009781042 556308713 /nfs/dbraw/zinc/30/87/13/556308713.db2.gz QMGDOYHVSKMPAY-FQEVSTJZSA-N 0 0 444.560 5.070 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc1 ZINC000009805263 556308966 /nfs/dbraw/zinc/30/89/66/556308966.db2.gz DLMCFGIKAGDIIT-LGGPFLRQSA-N 0 0 438.571 6.762 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1 ZINC000009850168 556313957 /nfs/dbraw/zinc/31/39/57/556313957.db2.gz ARGFITARBFZFAY-DJUDNFEDSA-N 0 0 434.348 5.140 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861336 556314969 /nfs/dbraw/zinc/31/49/69/556314969.db2.gz CXRNYWZRPIVGDD-QFIPXVFZSA-N 0 0 429.347 6.156 50 30 IKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009892598 556315555 /nfs/dbraw/zinc/31/55/55/556315555.db2.gz SAFXLVSSTUUKRG-NTUHNPAUSA-N 0 0 428.684 5.447 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000009972253 556319720 /nfs/dbraw/zinc/31/97/20/556319720.db2.gz FYCTYEMAPAOEEF-XHCCPWGMSA-N 0 0 427.523 5.871 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000009993316 556320077 /nfs/dbraw/zinc/32/00/77/556320077.db2.gz BUVYCAUITHXWQB-FQEVSTJZSA-N 0 0 430.460 5.218 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009993310 556320150 /nfs/dbraw/zinc/32/01/50/556320150.db2.gz ISYJWWGJKBBYDV-HXUWFJFHSA-N 0 0 430.460 5.218 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC ZINC000009982685 556320161 /nfs/dbraw/zinc/32/01/61/556320161.db2.gz QSWKHWCARMUOIP-IIBYNOLFSA-N 0 0 439.602 5.313 50 30 IKEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009993318 556320184 /nfs/dbraw/zinc/32/01/84/556320184.db2.gz JRZVUVPVECGDJQ-OAQYLSRUSA-N 0 0 442.496 5.088 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009993299 556320204 /nfs/dbraw/zinc/32/02/04/556320204.db2.gz CZOXHFHTSMQAGM-NRFANRHFSA-N 0 0 442.496 5.088 50 30 IKEARN C=CCc1ccccc1OCCOc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000013895570 556328901 /nfs/dbraw/zinc/32/89/01/556328901.db2.gz YWHSNVZSSNRRRL-NLRVBDNBSA-N 0 0 429.545 5.929 50 30 IKEARN CCOc1ccc(NC(=NC(=O)Nc2cccc(Cl)c2)Nc2nc(C)cc(C)n2)cc1 ZINC000013899564 556331231 /nfs/dbraw/zinc/33/12/31/556331231.db2.gz AFNWBRMKZIHUOD-UHFFFAOYSA-N 0 0 438.919 5.258 50 30 IKEARN COc1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1O ZINC000013915242 556332222 /nfs/dbraw/zinc/33/22/22/556332222.db2.gz QTTXEKJTTJHPLC-MKMNVTDBSA-N 0 0 429.712 5.253 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C ZINC000013915998 556332548 /nfs/dbraw/zinc/33/25/48/556332548.db2.gz XAXMBZMCJULYBA-VWLOTQADSA-N 0 0 449.522 5.162 50 30 IKEARN CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC#N ZINC000013915287 556332571 /nfs/dbraw/zinc/33/25/71/556332571.db2.gz QTZVIHUJQVMZKQ-LSHDLFTRSA-N 0 0 443.128 5.503 50 30 IKEARN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 ZINC000004480735 556333915 /nfs/dbraw/zinc/33/39/15/556333915.db2.gz NTKWULHCCOBHMH-CIAFOILYSA-N 0 0 429.295 5.965 50 30 IKEARN Cc1ccc(Nc2nc(N=NCc3ccccc3O)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000013943551 556340747 /nfs/dbraw/zinc/34/07/47/556340747.db2.gz CTRBSLYSQYAQOJ-MFKUBSTISA-N 0 0 425.496 5.127 50 30 IKEARN Cc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)o1 ZINC000011617081 556342618 /nfs/dbraw/zinc/34/26/18/556342618.db2.gz XLGJFDCEFSNHSL-ZRDIBKRKSA-N 0 0 434.289 5.755 50 30 IKEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000011617080 556342802 /nfs/dbraw/zinc/34/28/02/556342802.db2.gz BCXHNAPLPBHTEH-FMIVXFBMSA-N 0 0 430.847 5.653 50 30 IKEARN N#Cc1ccc(NC(=O)CSCc2csc(-c3cccc(Br)c3)n2)cc1 ZINC000032779065 556352175 /nfs/dbraw/zinc/35/21/75/556352175.db2.gz CKVHMTFSQUUZPS-UHFFFAOYSA-N 0 0 444.379 5.316 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)c(Br)cc1O ZINC000014008777 556353858 /nfs/dbraw/zinc/35/38/58/556353858.db2.gz PIIJOFBVKLSILU-VCHYOVAHSA-N 0 0 447.354 5.007 50 30 IKEARN N#CC(CCSc1nc2ccccc2c(=O)n1C1CC1)(c1ccccc1)c1ccccc1 ZINC000032818845 556393873 /nfs/dbraw/zinc/39/38/73/556393873.db2.gz LCHPOVOQDRCFER-UHFFFAOYSA-N 0 0 437.568 5.723 50 30 IKEARN CC(=O)Nc1s/c(=N\N=C\c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1 ZINC000032623427 556410692 /nfs/dbraw/zinc/41/06/92/556410692.db2.gz XGUBWCYBSJYEBU-NDQAOLADSA-N 0 0 426.545 5.158 50 30 IKEARN N#Cc1c2c(sc1NC(=O)COc1ccccc1-c1nc3ccccc3s1)CCC2 ZINC000032958147 556446585 /nfs/dbraw/zinc/44/65/85/556446585.db2.gz MSGYCECSIVSXTQ-UHFFFAOYSA-N 0 0 431.542 5.403 50 30 IKEARN C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CC/C=C(\C)CC[C@H]1OC1(C)C ZINC000028248816 556446946 /nfs/dbraw/zinc/44/69/46/556446946.db2.gz KABSNIWLJXCBGG-SOMXJEHOSA-N 0 0 442.728 9.027 50 30 IKEARN C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C)CC/C=C(\C)CC[C@H]1OC1(C)C ZINC000028248827 556447032 /nfs/dbraw/zinc/44/70/32/556447032.db2.gz KABSNIWLJXCBGG-LYINBSFCSA-N 0 0 442.728 9.027 50 30 IKEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000011034546 556460570 /nfs/dbraw/zinc/46/05/70/556460570.db2.gz JECGPSBXGNOQLY-FQEVSTJZSA-N 0 0 438.940 5.234 50 30 IKEARN COc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)o2)cc1Cl ZINC000015011788 556483403 /nfs/dbraw/zinc/48/34/03/556483403.db2.gz URWRZNMVWVLYGW-YBFXNURJSA-N 0 0 445.327 6.154 50 30 IKEARN Cc1cc2c(c(C)c1)NC(=O)/C2=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000015015529 556484776 /nfs/dbraw/zinc/48/47/76/556484776.db2.gz CWAFIWKLHMDAAM-RCBTVRNASA-N 0 0 425.513 5.434 50 30 IKEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000015016289 556485489 /nfs/dbraw/zinc/48/54/89/556485489.db2.gz NMNLBHGUTUBHJC-HMAPJEAMSA-N 0 0 448.469 6.903 50 30 IKEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000015016486 556485823 /nfs/dbraw/zinc/48/58/23/556485823.db2.gz PSVJVXWGNGKFHY-ODLFYWEKSA-N 0 0 439.880 5.708 50 30 IKEARN CCOc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000015018320 556486825 /nfs/dbraw/zinc/48/68/25/556486825.db2.gz RFVVUCLNNPKHOI-JXKYSLRESA-N 0 0 444.556 6.216 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000015018359 556486985 /nfs/dbraw/zinc/48/69/85/556486985.db2.gz UJJWFTAXTQKUBM-HXNPFYCNSA-N 0 0 428.557 6.326 50 30 IKEARN O=C1/C(=C/c2cc3c(cc2Cl)OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015018403 556487141 /nfs/dbraw/zinc/48/71/41/556487141.db2.gz AEWZOAQUFIGQLC-XHOZKXSISA-N 0 0 434.904 5.877 50 30 IKEARN Fc1ccccc1COc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1 ZINC000015228169 556512791 /nfs/dbraw/zinc/51/27/91/556512791.db2.gz KNEUQBUYLQHHTB-JFLMPSFJSA-N 0 0 427.504 6.614 50 30 IKEARN CCCCOC(=O)c1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000015305979 556517817 /nfs/dbraw/zinc/51/78/17/556517817.db2.gz FLUTWNFHMUHCKN-UHFFFAOYSA-N 0 0 430.529 5.919 50 30 IKEARN COc1ccc(/N=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000003080548 556518657 /nfs/dbraw/zinc/51/86/57/556518657.db2.gz CIOPXMQRLGXNHA-MWAVMZGNSA-N 0 0 435.523 6.573 50 30 IKEARN Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)cc1 ZINC000003088543 556519641 /nfs/dbraw/zinc/51/96/41/556519641.db2.gz QLEPFYGYXLMVNU-JVWAILMASA-N 0 0 444.328 6.881 50 30 IKEARN COc1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Br ZINC000003092130 556520006 /nfs/dbraw/zinc/52/00/06/556520006.db2.gz XPUJOBRGAJEGEO-FMCGGJTJSA-N 0 0 439.334 6.191 50 30 IKEARN COc1cc(CN=Nc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1Cl ZINC000031854449 556527209 /nfs/dbraw/zinc/52/72/09/556527209.db2.gz SOSZFTSUIHOAQS-KSEXSDGBSA-N 0 0 429.929 5.341 50 30 IKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 ZINC000032691027 556546653 /nfs/dbraw/zinc/54/66/53/556546653.db2.gz HQSFSHZSEUUCGE-CEUNXORHSA-N 0 0 439.538 6.242 50 30 IKEARN CCCCOc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000032691016 556546679 /nfs/dbraw/zinc/54/66/79/556546679.db2.gz BCIJXTKQEOCHPZ-ANYBSYGZSA-N 0 0 436.559 6.460 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(CSc3nc4ccccc4s3)c2)cc1 ZINC000015767633 556549074 /nfs/dbraw/zinc/54/90/74/556549074.db2.gz NWADAAJTZZPBKO-NTUHNPAUSA-N 0 0 447.581 6.502 50 30 IKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015769253 556549860 /nfs/dbraw/zinc/54/98/60/556549860.db2.gz SAFXLVSSTUUKRG-QPEQYQDCSA-N 0 0 428.684 5.447 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C#N ZINC000072305314 556553379 /nfs/dbraw/zinc/55/33/79/556553379.db2.gz GAQZUPXOIGNYKK-LOSJGSFVSA-N 0 0 443.595 5.192 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000015836250 556555562 /nfs/dbraw/zinc/55/55/62/556555562.db2.gz VJZJITIIANLCTI-FQEVSTJZSA-N 0 0 428.504 5.269 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000015836634 556555564 /nfs/dbraw/zinc/55/55/64/556555564.db2.gz LMUZKRXGDJHSKX-LUAWRHEFSA-N 0 0 431.473 5.414 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000015836440 556555627 /nfs/dbraw/zinc/55/56/27/556555627.db2.gz XDBFHSYJDSNEQP-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000015836456 556555655 /nfs/dbraw/zinc/55/56/55/556555655.db2.gz NARKYBNNZQLZNN-PTNGSMBKSA-N 0 0 440.499 5.461 50 30 IKEARN COc1ccc(/C=C/C(=O)c2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2)cc1 ZINC000015837610 556555931 /nfs/dbraw/zinc/55/59/31/556555931.db2.gz RWUPILNHIMBLKK-LICLKQGHSA-N 0 0 433.463 5.545 50 30 IKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1 ZINC000015837458 556556000 /nfs/dbraw/zinc/55/60/00/556556000.db2.gz OTBCYVXLJLACDT-SSZFMOIBSA-N 0 0 429.317 6.198 50 30 IKEARN CCCCCCCSc1nnc2c(n1)OC(C(=O)c1ccccc1)=Nc1ccccc1-2 ZINC000033353597 556562823 /nfs/dbraw/zinc/56/28/23/556562823.db2.gz VHXPYJUXPLTQKH-UHFFFAOYSA-N 0 0 432.549 5.906 50 30 IKEARN O=C(NC1C(=O)c2ccccc2C(=O)C1=Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000015906438 556562850 /nfs/dbraw/zinc/56/28/50/556562850.db2.gz LFGLGDXFZNQJJW-UHFFFAOYSA-N 0 0 437.282 5.126 50 30 IKEARN N#Cc1cccnc1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 ZINC000032907702 556563307 /nfs/dbraw/zinc/56/33/07/556563307.db2.gz YZZQUDONAWGJIY-UHFFFAOYSA-N 0 0 428.304 5.311 50 30 IKEARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032908457 556564890 /nfs/dbraw/zinc/56/48/90/556564890.db2.gz HWNXSCQBEOVONJ-UHFFFAOYSA-N 0 0 439.540 5.631 50 30 IKEARN COC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2sccc2C)CCCC3)cc1 ZINC000015945842 556566998 /nfs/dbraw/zinc/56/69/98/556566998.db2.gz DINSFMWNCIFAIH-ZMOGYAJESA-N 0 0 438.574 5.786 50 30 IKEARN CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCCCC3)cc1 ZINC000015945872 556567070 /nfs/dbraw/zinc/56/70/70/556567070.db2.gz OUWRLHSEXYEVHV-JVWAILMASA-N 0 0 436.552 6.558 50 30 IKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006720508 556579346 /nfs/dbraw/zinc/57/93/46/556579346.db2.gz VSICIECRBYHMGG-MHZLTWQESA-N 0 0 425.576 6.391 50 30 IKEARN N#CCCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1cccc(Cl)c1 ZINC000034863266 556584334 /nfs/dbraw/zinc/58/43/34/556584334.db2.gz YVSKWZKULORQIX-QFIPXVFZSA-N 0 0 442.009 5.357 50 30 IKEARN Fc1ccc(-c2sc(N=NCc3ccc(Br)cc3)nc2C(F)(F)F)cc1 ZINC000016133879 556584893 /nfs/dbraw/zinc/58/48/93/556584893.db2.gz BXMCVDBUHXYXBA-NUGSKGIGSA-N 0 0 444.251 6.177 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(Cl)c2)c1C ZINC000032972037 556589816 /nfs/dbraw/zinc/58/98/16/556589816.db2.gz CVNWGTBCJHHASW-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1ccc(C)cc1C ZINC000032972317 556589827 /nfs/dbraw/zinc/58/98/27/556589827.db2.gz INHVKKKOFDGQAF-UHFFFAOYSA-N 0 0 445.611 5.349 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2ccc(C(C)C)cc2)c1C ZINC000032971799 556589869 /nfs/dbraw/zinc/58/98/69/556589869.db2.gz YBSSUWXXCZWUPI-UHFFFAOYSA-N 0 0 435.547 5.180 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccc(C(C)C)cc2)c1C ZINC000032972188 556590098 /nfs/dbraw/zinc/59/00/98/556590098.db2.gz OZNXJEGLSFVGSP-UHFFFAOYSA-N 0 0 449.574 5.489 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c1C ZINC000032971889 556590322 /nfs/dbraw/zinc/59/03/22/556590322.db2.gz RVZBWMHQRDPBFP-UHFFFAOYSA-N 0 0 431.584 5.350 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1cccc(Cl)c1C ZINC000032972629 556591248 /nfs/dbraw/zinc/59/12/48/556591248.db2.gz YITTXOFEALIAPV-UHFFFAOYSA-N 0 0 444.366 5.050 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c(C)n1 ZINC000032972874 556591668 /nfs/dbraw/zinc/59/16/68/556591668.db2.gz JDENLANIXHRTSN-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2F)c(C)n1 ZINC000032972991 556591961 /nfs/dbraw/zinc/59/19/61/556591961.db2.gz LPNIPPZMFBMRRW-UHFFFAOYSA-N 0 0 449.574 5.436 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(SC)c2)c(C)n1 ZINC000032972998 556592019 /nfs/dbraw/zinc/59/20/19/556592019.db2.gz WNXKXOZGDWTFNZ-UHFFFAOYSA-N 0 0 449.624 5.338 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(C)c2)c(C)n1 ZINC000032972897 556592614 /nfs/dbraw/zinc/59/26/14/556592614.db2.gz KOWOPMUXHMTFBG-UHFFFAOYSA-N 0 0 445.611 5.606 50 30 IKEARN N#Cc1cc(-c2c3cc(F)ccc3oc2C(=O)Nc2ccc(F)c(F)c2)cn(C2CC2)c1=O ZINC000032913476 556593982 /nfs/dbraw/zinc/59/39/82/556593982.db2.gz APLSXPQPGZOUAB-UHFFFAOYSA-N 0 0 449.388 5.138 50 30 IKEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(C)c(F)c1)Nc1ccc(C(C)C)cc1 ZINC000032973618 556594577 /nfs/dbraw/zinc/59/45/77/556594577.db2.gz JZLMWNVSGVBPSE-UHFFFAOYSA-N 0 0 449.574 5.048 50 30 IKEARN CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c(OC)c1 ZINC000016267733 556595908 /nfs/dbraw/zinc/59/59/08/556595908.db2.gz PANTVYYITSYOMF-JAIQZWGSSA-N 0 0 429.973 5.395 50 30 IKEARN Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2 ZINC000016284136 556596970 /nfs/dbraw/zinc/59/69/70/556596970.db2.gz FFCURMFIGBFHIR-MZJWZYIUSA-N 0 0 432.545 5.345 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984254 556602722 /nfs/dbraw/zinc/60/27/22/556602722.db2.gz YPTXDIRWQJHKKO-UHFFFAOYSA-N 0 0 431.557 6.077 50 30 IKEARN O=C(c1ccccc1)C1=CN(c2cccc(Br)c2)c2ccccc2S1(=O)=O ZINC000032984133 556603178 /nfs/dbraw/zinc/60/31/78/556603178.db2.gz PZGBXDDQZMIISX-UHFFFAOYSA-N 0 0 440.318 5.099 50 30 IKEARN O=C(c1ccccc1)C1=CN(c2cc(Cl)cc(Cl)c2)c2ccccc2S1(=O)=O ZINC000032984132 556603290 /nfs/dbraw/zinc/60/32/90/556603290.db2.gz MAGGSCJJFXJWSB-UHFFFAOYSA-N 0 0 430.312 5.643 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3cc(Cl)cc(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984172 556603452 /nfs/dbraw/zinc/60/34/52/556603452.db2.gz PUKAMINYUVTXAE-UHFFFAOYSA-N 0 0 444.339 5.952 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(Cl)c(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984171 556603495 /nfs/dbraw/zinc/60/34/95/556603495.db2.gz NOKFKNYZFFPBKR-UHFFFAOYSA-N 0 0 444.339 5.952 50 30 IKEARN CN(C)c1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984234 556603510 /nfs/dbraw/zinc/60/35/10/556603510.db2.gz YJBDGPDFUMMGMB-UHFFFAOYSA-N 0 0 438.936 5.056 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1 ZINC000032984436 556603800 /nfs/dbraw/zinc/60/38/00/556603800.db2.gz YEHRVIUZRJMLGG-UHFFFAOYSA-N 0 0 439.483 5.540 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984315 556604005 /nfs/dbraw/zinc/60/40/05/556604005.db2.gz HKSHDTBYFPMVGW-UHFFFAOYSA-N 0 0 439.920 5.388 50 30 IKEARN Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1C ZINC000032984388 556604299 /nfs/dbraw/zinc/60/42/99/556604299.db2.gz HHAKIBUMIBRUDN-UHFFFAOYSA-N 0 0 441.911 5.746 50 30 IKEARN COc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984391 556604349 /nfs/dbraw/zinc/60/43/49/556604349.db2.gz DGCOLZYYFUMWBI-UHFFFAOYSA-N 0 0 443.883 5.137 50 30 IKEARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000016447546 556607998 /nfs/dbraw/zinc/60/79/98/556607998.db2.gz JEOYTJHJEPVVGE-QUGAMOGWSA-N 0 0 428.463 5.534 50 30 IKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000016447544 556608078 /nfs/dbraw/zinc/60/80/78/556608078.db2.gz JEOYTJHJEPVVGE-QLXKLKPCSA-N 0 0 428.463 5.534 50 30 IKEARN O=C1/C(=C\c2ccc(Br)cc2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000016451051 556609478 /nfs/dbraw/zinc/60/94/78/556609478.db2.gz ZPDZJAANZQTWKI-WJGQKVTCSA-N 0 0 435.346 6.258 50 30 IKEARN O=S(=O)(N=C(SCc1ccccc1)SCc1ccccc1)c1ccc(Cl)cc1 ZINC000016480837 556611374 /nfs/dbraw/zinc/61/13/74/556611374.db2.gz PRCHSFJHZMRHPL-UHFFFAOYSA-N 0 0 448.034 6.252 50 30 IKEARN Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N=NCc2ccccc2)n1 ZINC000016513078 556613187 /nfs/dbraw/zinc/61/31/87/556613187.db2.gz ZIBBHUVCELLXFU-MFKUBSTISA-N 0 0 445.320 5.725 50 30 IKEARN CCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(O)c1 ZINC000016513071 556613279 /nfs/dbraw/zinc/61/32/79/556613279.db2.gz HZYUQZIMSYHWPL-WPWMEQJKSA-N 0 0 440.503 5.457 50 30 IKEARN Fc1ccccc1CN=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 ZINC000016512906 556613284 /nfs/dbraw/zinc/61/32/84/556613284.db2.gz HPNVEXWALREWGL-CVKSISIWSA-N 0 0 447.311 6.158 50 30 IKEARN N#Cc1c(SCc2nc3ccccc3[nH]c2=O)nc(-c2cccs2)c2c1CCCC2 ZINC000016525022 556614082 /nfs/dbraw/zinc/61/40/82/556614082.db2.gz HCDBZRTWKOJDBJ-UHFFFAOYSA-N 0 0 430.558 5.089 50 30 IKEARN Cc1ccc(-c2nc3ccccc3c(NN=Cc3c(F)c(F)c(F)c(F)c3F)n2)cc1 ZINC000016663528 556621218 /nfs/dbraw/zinc/62/12/18/556621218.db2.gz QKECDFGEZVTCBJ-ORBVJSQLSA-N 0 0 428.364 5.747 50 30 IKEARN COc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1O ZINC000016677509 556622596 /nfs/dbraw/zinc/62/25/96/556622596.db2.gz WVKQRYMYZNUABO-ZMOGYAJESA-N 0 0 449.308 5.220 50 30 IKEARN C=CCN1C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N/N=C/c1ccc(OC)cc1 ZINC000016713123 556630544 /nfs/dbraw/zinc/63/05/44/556630544.db2.gz PZZFPISBOBBHCJ-MZKWWRRPSA-N 0 0 448.375 5.065 50 30 IKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc1 ZINC000016734732 556632695 /nfs/dbraw/zinc/63/26/95/556632695.db2.gz BCBLXOUOZPQAGX-ZVHZXABRSA-N 0 0 441.988 5.714 50 30 IKEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(C)c(C)c1 ZINC000033769278 556633348 /nfs/dbraw/zinc/63/33/48/556633348.db2.gz KLMNTVQMPROKKM-UHFFFAOYSA-N 0 0 445.563 5.188 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000016741361 556635045 /nfs/dbraw/zinc/63/50/45/556635045.db2.gz COEZEOKJFHLQMR-DEOSSOPVSA-N 0 0 433.548 5.672 50 30 IKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000016741365 556635097 /nfs/dbraw/zinc/63/50/97/556635097.db2.gz UQXFYDZYUFUNOG-XMMPIXPASA-N 0 0 431.532 5.448 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000016741373 556635110 /nfs/dbraw/zinc/63/51/10/556635110.db2.gz HBZUKTBGVVZSPP-QFIPXVFZSA-N 0 0 439.939 5.626 50 30 IKEARN CCOC(=O)Nc1sc(N=NCc2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000016751491 556637623 /nfs/dbraw/zinc/63/76/23/556637623.db2.gz AOAAJUVZFUBWMO-CIAFOILYSA-N 0 0 425.470 5.041 50 30 IKEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016779351 556640988 /nfs/dbraw/zinc/64/09/88/556640988.db2.gz APMCBNXDEBYPDP-GTNSWQLSSA-N 0 0 429.611 5.231 50 30 IKEARN CCOc1ccc(-c2cs/c(=N/N=C(/C)c3ccc(Br)cc3)n2C)cc1 ZINC000016948811 556649858 /nfs/dbraw/zinc/64/98/58/556649858.db2.gz QXTMKZXSDMTSPV-BRTVWGSHSA-N 0 0 430.371 5.240 50 30 IKEARN CCN(CC)c1ccc(C=Nc2ccc(NC(C)=C3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000100698319 556650904 /nfs/dbraw/zinc/65/09/04/556650904.db2.gz NZTXDOAQZXUUES-RDRPBHBLSA-N 0 0 437.543 6.049 50 30 IKEARN COc1ccc(-c2sc(/N=C/c3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC ZINC000017025275 556653353 /nfs/dbraw/zinc/65/33/53/556653353.db2.gz DPVYRXNZNFJFRP-STBIYBPSSA-N 0 0 438.552 7.030 50 30 IKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041229 556653798 /nfs/dbraw/zinc/65/37/98/556653798.db2.gz DGXCFJFAVRPPGK-HXUWFJFHSA-N 0 0 429.545 5.347 50 30 IKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041232 556653809 /nfs/dbraw/zinc/65/38/09/556653809.db2.gz DGXCFJFAVRPPGK-FQEVSTJZSA-N 0 0 429.545 5.347 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccccc1 ZINC000017044116 556654034 /nfs/dbraw/zinc/65/40/34/556654034.db2.gz MMIBLOSSVCAZDX-XHCCPWGMSA-N 0 0 426.491 5.746 50 30 IKEARN CC/C(=N\C(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc21)c1ccc(C)cc1 ZINC000017100536 556665387 /nfs/dbraw/zinc/66/53/87/556665387.db2.gz JXILXTONSVRLIQ-GKPLWNPISA-N 0 0 436.555 7.037 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000017163330 556670807 /nfs/dbraw/zinc/67/08/07/556670807.db2.gz WIELBMCPGVDHMH-VWLOTQADSA-N 0 0 436.983 6.529 50 30 IKEARN Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017167119 556671214 /nfs/dbraw/zinc/67/12/14/556671214.db2.gz LOQGFQMILICOSK-NTFVMDSBSA-N 0 0 427.573 6.097 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000017189610 556672321 /nfs/dbraw/zinc/67/23/21/556672321.db2.gz HYXHVBPDTHCYGJ-LJQANCHMSA-N 0 0 433.508 5.178 50 30 IKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1 ZINC000011915275 556674347 /nfs/dbraw/zinc/67/43/47/556674347.db2.gz UFHYSHPYOBSUOT-QHCPKHFHSA-N 0 0 437.536 5.108 50 30 IKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1 ZINC000011915277 556674398 /nfs/dbraw/zinc/67/43/98/556674398.db2.gz UFHYSHPYOBSUOT-HSZRJFAPSA-N 0 0 437.536 5.108 50 30 IKEARN O=C(Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1 ZINC000100814345 556676567 /nfs/dbraw/zinc/67/65/67/556676567.db2.gz HNVMERIRLUAKLX-UHFFFAOYSA-N 0 0 432.242 5.138 50 30 IKEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000032931745 556676660 /nfs/dbraw/zinc/67/66/60/556676660.db2.gz YVFUJYZYYWZBDQ-JOCHJYFZSA-N 0 0 429.907 5.375 50 30 IKEARN Cc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 ZINC000011992146 556678887 /nfs/dbraw/zinc/67/88/87/556678887.db2.gz XOBITHPEXNVHBZ-VULFUBBASA-N 0 0 433.964 6.797 50 30 IKEARN Oc1ccc(/N=C/C=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 ZINC000017747828 556679182 /nfs/dbraw/zinc/67/91/82/556679182.db2.gz PVZCVHBQXAGIBJ-CGIFWJFOSA-N 0 0 435.346 6.847 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1 ZINC000017992911 556681280 /nfs/dbraw/zinc/68/12/80/556681280.db2.gz BFVILGZACDUFHH-NFQMXDRXSA-N 0 0 438.527 5.899 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccc(F)c1 ZINC000018105948 556683910 /nfs/dbraw/zinc/68/39/10/556683910.db2.gz SCWZXRJKQSEGEU-AREMUKBSSA-N 0 0 440.518 6.283 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000018180658 556685762 /nfs/dbraw/zinc/68/57/62/556685762.db2.gz RPVNPNHAAGEORV-XMMPIXPASA-N 0 0 429.476 6.077 50 30 IKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000018180284 556685791 /nfs/dbraw/zinc/68/57/91/556685791.db2.gz QKMJRMXNJBXEJF-QHCPKHFHSA-N 0 0 436.502 5.516 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000018180661 556685814 /nfs/dbraw/zinc/68/58/14/556685814.db2.gz RPVNPNHAAGEORV-DEOSSOPVSA-N 0 0 429.476 6.077 50 30 IKEARN C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C ZINC000018213583 556687173 /nfs/dbraw/zinc/68/71/73/556687173.db2.gz UWGWRVLVWZBCQF-GFMRDNFCSA-N 0 0 447.412 7.377 50 30 IKEARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1ccco1 ZINC000018219499 556687450 /nfs/dbraw/zinc/68/74/50/556687450.db2.gz WAPNHCQFZGTYRX-LMKMVOKYSA-N 0 0 428.488 5.355 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000018254423 556688417 /nfs/dbraw/zinc/68/84/17/556688417.db2.gz OKIUYZMDIWMXOC-DEOSSOPVSA-N 0 0 432.520 5.026 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018284763 556689023 /nfs/dbraw/zinc/68/90/23/556689023.db2.gz WWSSKWKAQOULIF-NDEPHWFRSA-N 0 0 438.571 7.318 50 30 IKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000018323446 556689342 /nfs/dbraw/zinc/68/93/42/556689342.db2.gz MPDSXYRJWFCSBN-WXTAPIANSA-N 0 0 428.488 5.209 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000018285619 556689373 /nfs/dbraw/zinc/68/93/73/556689373.db2.gz BXNREIQYHKIHTL-NGOKVRLYSA-N 0 0 440.518 6.136 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccccc3)C2)cc1 ZINC000018324465 556689598 /nfs/dbraw/zinc/68/95/98/556689598.db2.gz CHAKSZGALGQIOW-KMRXNPHXSA-N 0 0 438.527 5.616 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1 ZINC000018324598 556689734 /nfs/dbraw/zinc/68/97/34/556689734.db2.gz KFMRSICDARYYBV-WINIVTDRSA-N 0 0 426.516 5.683 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]23)cc1 ZINC000221542320 556700293 /nfs/dbraw/zinc/70/02/93/556700293.db2.gz LRZMINYCHKGPFT-ZWQCLNLXSA-N 0 0 443.503 5.829 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033026463 556703490 /nfs/dbraw/zinc/70/34/90/556703490.db2.gz CEDOFBNGFVTUKT-XUSGNXJCSA-N 0 0 441.314 5.954 50 30 IKEARN COc1ccc(Nc2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)cc1 ZINC000033027058 556704366 /nfs/dbraw/zinc/70/43/66/556704366.db2.gz BFLDMQRQPJVNNT-UHFFFAOYSA-N 0 0 437.455 6.291 50 30 IKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)c1 ZINC000033027191 556704667 /nfs/dbraw/zinc/70/46/67/556704667.db2.gz NAQXBSPILZBVCN-UHFFFAOYSA-N 0 0 425.488 5.565 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)OC1CCCCC1 ZINC000061719540 556726402 /nfs/dbraw/zinc/72/64/02/556726402.db2.gz CYUWWNQPILHEJD-UHFFFAOYSA-N 0 0 428.557 6.255 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000019314428 556735602 /nfs/dbraw/zinc/73/56/02/556735602.db2.gz SLSZWDXRFHRQPW-RUZDIDTESA-N 0 0 445.559 5.433 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000019314434 556735680 /nfs/dbraw/zinc/73/56/80/556735680.db2.gz KYYQNEMVKYSELL-XMMPIXPASA-N 0 0 431.532 5.043 50 30 IKEARN CC(=O)C1=C(C)N[C@H](c2ccc(Cl)c(Cl)c2)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019339435 556739502 /nfs/dbraw/zinc/73/95/02/556739502.db2.gz FOUPCSKNFATMEY-OALUTQOASA-N 0 0 430.162 6.096 50 30 IKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1O ZINC000001950153 556758649 /nfs/dbraw/zinc/75/86/49/556758649.db2.gz PBQBPBNLNDCNDR-BRJLIKDPSA-N 0 0 427.287 6.657 50 30 IKEARN C=CCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000002219298 556759531 /nfs/dbraw/zinc/75/95/31/556759531.db2.gz QASJOPPQXSWSRZ-UHFFFAOYSA-N 0 0 441.600 5.871 50 30 IKEARN COc1ccccc1/N=C1\c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O ZINC000002247672 556759854 /nfs/dbraw/zinc/75/98/54/556759854.db2.gz YLNFZQMYLJAABO-ORIPQNMZSA-N 0 0 439.559 5.075 50 30 IKEARN Cc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1Cl ZINC000005297428 556762497 /nfs/dbraw/zinc/76/24/97/556762497.db2.gz MRDVMWVXRDOSFS-UHFFFAOYSA-N 0 0 436.946 6.964 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535668 556793905 /nfs/dbraw/zinc/79/39/05/556793905.db2.gz ADYCWNXEYXARFO-HSZRJFAPSA-N 0 0 435.951 5.687 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c2ccccc2cc2ccccc21 ZINC000019535707 556793941 /nfs/dbraw/zinc/79/39/41/556793941.db2.gz VDXADYOWHQEHPH-MHZLTWQESA-N 0 0 439.555 6.160 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 ZINC000019536173 556794130 /nfs/dbraw/zinc/79/41/30/556794130.db2.gz DJZBLXGFFYGOPQ-RUZDIDTESA-N 0 0 431.532 5.185 50 30 IKEARN CCCCCCCC(=O)NCc1cccc(-c2nc(-c3cc(OC)ccc3OC)c[nH]2)c1 ZINC000097940608 556809963 /nfs/dbraw/zinc/80/99/63/556809963.db2.gz ZUOBDOIIQAWHIA-UHFFFAOYSA-N 0 0 435.568 5.738 50 30 biogenic IKEARN N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 ZINC000003320348 556810197 /nfs/dbraw/zinc/81/01/97/556810197.db2.gz MITQHNZVFMYBOV-UHFFFAOYSA-N 0 0 445.573 5.035 50 30 IKEARN N#CC(Cc1ccccc1Cl)(Cc1ccccc1Cl)C(=O)NCCc1ccccc1 ZINC000003324716 556810425 /nfs/dbraw/zinc/81/04/25/556810425.db2.gz QIWWYWYEIHTJLR-UHFFFAOYSA-N 0 0 437.370 5.647 50 30 IKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003323486 556810481 /nfs/dbraw/zinc/81/04/81/556810481.db2.gz DIEVYAOGQYKIPV-UHFFFAOYSA-N 0 0 442.426 6.483 50 30 IKEARN N#Cc1c2c(sc1NC(=O)/C=C/c1cn(-c3ccccc3)nc1-c1cccs1)CCC2 ZINC000003356903 556811609 /nfs/dbraw/zinc/81/16/09/556811609.db2.gz VDYUCVTWYBSOLJ-VAWYXSNFSA-N 0 0 442.569 5.675 50 30 IKEARN N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003390265 556814108 /nfs/dbraw/zinc/81/41/08/556814108.db2.gz MWQFIAKJTFRWDA-UHFFFAOYSA-N 0 0 441.874 5.222 50 30 IKEARN COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000096448089 556814392 /nfs/dbraw/zinc/81/43/92/556814392.db2.gz ODWKEQAUZHUXKA-HLAFJECWSA-N 0 0 425.569 5.510 50 30 biogenic IKEARN Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000003398418 556814435 /nfs/dbraw/zinc/81/44/35/556814435.db2.gz PEIJSPBQJHRPPT-INIZCTEOSA-N 0 0 436.606 5.164 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005570542 556826354 /nfs/dbraw/zinc/82/63/54/556826354.db2.gz ILVTYODCIRQXFS-DEOSSOPVSA-N 0 0 426.564 5.447 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019631386 556832567 /nfs/dbraw/zinc/83/25/67/556832567.db2.gz QITBWJCJYYXBIR-LJQANCHMSA-N 0 0 440.392 5.258 50 30 IKEARN Fc1ccc(Cn2cc(/C=N/NC(=S)NC3CCCCC3)c3ccccc32)c(Cl)c1 ZINC000019637587 556835950 /nfs/dbraw/zinc/83/59/50/556835950.db2.gz GYSATZVWGMAZQU-LGJNPRDNSA-N 0 0 442.991 5.613 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019638530 556836443 /nfs/dbraw/zinc/83/64/43/556836443.db2.gz XEXSXBVLADCZJZ-FNZWTVRRSA-N 0 0 443.543 5.240 50 30 IKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 ZINC000097946822 556840150 /nfs/dbraw/zinc/84/01/50/556840150.db2.gz MQKSSKISGXYPIP-GKKKVQSUSA-N 0 0 445.588 5.218 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019646926 556840681 /nfs/dbraw/zinc/84/06/81/556840681.db2.gz JSUGGEPXMUWXJH-RBZFPXEDSA-N 0 0 448.371 5.590 50 30 IKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(Nc2ccccc2)n1 ZINC000008707744 556842486 /nfs/dbraw/zinc/84/24/86/556842486.db2.gz VZPYYJPVJBTVHX-UHFFFAOYSA-N 0 0 449.605 5.844 50 30 IKEARN O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765577 556842747 /nfs/dbraw/zinc/84/27/47/556842747.db2.gz XVVLFOIJLFROIC-CLTKARDFSA-N 0 0 446.305 6.125 50 30 IKEARN CCCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000097951145 556848559 /nfs/dbraw/zinc/84/85/59/556848559.db2.gz FLJMDZNMLJQVLU-UHFFFAOYSA-N 0 0 427.683 7.523 50 30 IKEARN CCCCCCCCn1c(N)c(C(=O)OCCCCCCC)c2nc3ccccc3nc21 ZINC000097953096 556850037 /nfs/dbraw/zinc/85/00/37/556850037.db2.gz CYMYMIGBLOPCAA-UHFFFAOYSA-N 0 0 438.616 6.654 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000097953938 556850255 /nfs/dbraw/zinc/85/02/55/556850255.db2.gz JVAONTSLNCYECV-QHCPKHFHSA-N 0 0 431.624 7.006 50 30 IKEARN C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccoc1C ZINC000008935786 556852657 /nfs/dbraw/zinc/85/26/57/556852657.db2.gz RBQMLVGRQUTPSZ-UHFFFAOYSA-N 0 0 427.555 5.307 50 30 IKEARN CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)c1O ZINC000033097081 556858297 /nfs/dbraw/zinc/85/82/97/556858297.db2.gz JOJIOOVINFSSSJ-LNLSZRECSA-N 0 0 438.597 5.783 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1 ZINC000033097090 556858333 /nfs/dbraw/zinc/85/83/33/556858333.db2.gz XTGBMTDYYFWIIP-TWILBZOKSA-N 0 0 438.597 5.696 50 30 IKEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000033169030 556881130 /nfs/dbraw/zinc/88/11/30/556881130.db2.gz KUAKICQVDSRRMZ-UHFFFAOYSA-N 0 0 425.922 5.289 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000019762661 556907040 /nfs/dbraw/zinc/90/70/40/556907040.db2.gz PZLCEOCVSXGAHN-HSZRJFAPSA-N 0 0 437.923 5.060 50 30 IKEARN COc1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1 ZINC000019771493 556913103 /nfs/dbraw/zinc/91/31/03/556913103.db2.gz VNDRUXQCBKDZQX-MTDXEUNCSA-N 0 0 449.982 5.079 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000019827932 556926254 /nfs/dbraw/zinc/92/62/54/556926254.db2.gz PKAPHACYLSPAAN-NTKDMRAZSA-N 0 0 435.951 5.573 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019832359 556927323 /nfs/dbraw/zinc/92/73/23/556927323.db2.gz PDSNKZYSTISUEI-KOSHJBKYSA-N 0 0 435.951 5.653 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000019832531 556927382 /nfs/dbraw/zinc/92/73/82/556927382.db2.gz VJVHKTKWGJZVPO-VPUSJEBWSA-N 0 0 431.535 6.396 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(F)cc2)cc1 ZINC000019855370 556931431 /nfs/dbraw/zinc/93/14/31/556931431.db2.gz JZVUAWGNWBCWQD-UQBPGWFLSA-N 0 0 449.522 5.148 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(F)cc2)cc1 ZINC000019855372 556931453 /nfs/dbraw/zinc/93/14/53/556931453.db2.gz JZVUAWGNWBCWQD-KBMIEXCESA-N 0 0 449.522 5.148 50 30 IKEARN CC(C)(C)c1ccc(CSCCNC2=CC(=O)C[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000019880105 556936803 /nfs/dbraw/zinc/93/68/03/556936803.db2.gz RLFDRMULMPLOKN-HXUWFJFHSA-N 0 0 437.605 5.566 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000019898833 556941456 /nfs/dbraw/zinc/94/14/56/556941456.db2.gz VRAHPYATKVSEBV-QFIPXVFZSA-N 0 0 432.907 5.641 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000019913783 556943651 /nfs/dbraw/zinc/94/36/51/556943651.db2.gz ZZWNPAHKQXMZTG-UHFFFAOYSA-N 0 0 443.971 5.330 50 30 IKEARN CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)ccc1O ZINC000019924491 556944639 /nfs/dbraw/zinc/94/46/39/556944639.db2.gz AHQKVZCGGJHCHU-WMMPRDMWSA-N 0 0 438.597 5.783 50 30 IKEARN CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)ccc1O ZINC000019924494 556944660 /nfs/dbraw/zinc/94/46/60/556944660.db2.gz AHQKVZCGGJHCHU-BYEGDDEQSA-N 0 0 438.597 5.783 50 30 IKEARN N#CC1(C#N)[C@@H](c2ccsc2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000019938719 556953004 /nfs/dbraw/zinc/95/30/04/556953004.db2.gz SXFNBWGSJKKUGK-ZDXQCDESSA-N 0 0 425.488 5.297 50 30 IKEARN CC(C)c1ccc(NC(=S)C2=C(NC3Cc4ccccc4C3)CC(C)(C)CC2=O)cc1 ZINC000019944005 556953878 /nfs/dbraw/zinc/95/38/78/556953878.db2.gz AQRWNBILUSNHMJ-UHFFFAOYSA-N 0 0 432.633 5.950 50 30 IKEARN O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1cccc(OC(F)F)c1 ZINC000020028599 556967494 /nfs/dbraw/zinc/96/74/94/556967494.db2.gz UWIDHHCBBMUYBJ-VOTSOKGWSA-N 0 0 441.305 5.109 50 30 IKEARN O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC(F)F)cc1 ZINC000020028588 556967540 /nfs/dbraw/zinc/96/75/40/556967540.db2.gz DWKVQCMBWKZEIQ-BQYQJAHWSA-N 0 0 441.305 5.109 50 30 IKEARN O=C(/C=C\c1ccc(-c2ccccc2Br)o1)c1cccc(N2CCOCC2)c1 ZINC000096794658 556974898 /nfs/dbraw/zinc/97/48/98/556974898.db2.gz VYPGZDFRJSHXOJ-NTMALXAHSA-N 0 0 438.321 5.442 50 30 IKEARN CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccccc4Cl)CC3)ccc21 ZINC000020058091 556975374 /nfs/dbraw/zinc/97/53/74/556975374.db2.gz DXPJGVXTPCXBRN-MTDXEUNCSA-N 0 0 430.983 5.620 50 30 IKEARN C[C@@H](Nc1oc(-c2ccc(Br)o2)nc1C#N)c1cccc(C(F)(F)F)c1 ZINC000072427665 556979832 /nfs/dbraw/zinc/97/98/32/556979832.db2.gz XUNFIZUMKPJMPK-SECBINFHSA-N 0 0 426.192 5.761 50 30 IKEARN CC(C)(C)N=C1Nc2ccccc2N[C@]12CCCN(C(=O)Nc1ccc(F)cc1F)C2 ZINC000097088244 556983599 /nfs/dbraw/zinc/98/35/99/556983599.db2.gz FWFPVRCPVAQXCR-QHCPKHFHSA-N 0 0 427.499 5.066 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2)cc1 ZINC000097961219 556986371 /nfs/dbraw/zinc/98/63/71/556986371.db2.gz DUORJTVBVQJQNS-HGLPBTONSA-N 0 0 448.691 8.874 50 30 biogenic IKEARN CCCCCCCCCCCCS(=O)(=O)N/N=C1\N(CC)c2ccccc2C1(C)C ZINC000097962833 556986631 /nfs/dbraw/zinc/98/66/31/556986631.db2.gz DOHUPDBBIHLCMC-BZZOAKBMSA-N 0 0 435.678 5.958 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000097968964 556989554 /nfs/dbraw/zinc/98/95/54/556989554.db2.gz PLAMASJBLAMQKA-OQKWZONESA-N 0 0 425.550 6.372 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000097998505 557004393 /nfs/dbraw/zinc/00/43/93/557004393.db2.gz WNGKNWCPADMINN-UHFFFAOYSA-N 0 0 448.611 6.575 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 ZINC000097997920 557004401 /nfs/dbraw/zinc/00/44/01/557004401.db2.gz VDWQILURVVPFFS-CJLVFECKSA-N 0 0 441.955 6.432 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000013967104 557005814 /nfs/dbraw/zinc/00/58/14/557005814.db2.gz JOMWIVAMICQRIW-UHFFFAOYSA-N 0 0 431.561 5.181 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000032943036 557011784 /nfs/dbraw/zinc/01/17/84/557011784.db2.gz ZVHLHKFNBNNJLN-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN FC(F)(F)C(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2Cl)O1 ZINC000098002729 557012289 /nfs/dbraw/zinc/01/22/89/557012289.db2.gz AXKUNQYLAVTVBG-UHFFFAOYSA-N 0 0 448.619 5.534 50 30 IKEARN CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCC)cc1 ZINC000098001257 557012291 /nfs/dbraw/zinc/01/22/91/557012291.db2.gz NMGSQLUURHDKBX-UHFFFAOYSA-N 0 0 430.677 7.636 50 30 biogenic IKEARN CCCCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1 ZINC000098001354 557012293 /nfs/dbraw/zinc/01/22/93/557012293.db2.gz CRKFNRNVXLLMSV-UHFFFAOYSA-N 0 0 445.688 8.453 50 30 biogenic IKEARN CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000098001433 557012320 /nfs/dbraw/zinc/01/23/20/557012320.db2.gz XJTZVCNDQKHKRJ-UHFFFAOYSA-N 0 0 449.679 8.697 50 30 IKEARN CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1[C@H](C)c1ccccc1 ZINC000020392403 557012786 /nfs/dbraw/zinc/01/27/86/557012786.db2.gz PKQMGLPIULAKDM-GFCCVEGCSA-N 0 0 432.408 5.988 50 30 IKEARN CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1[C@@H](C)c1ccccc1 ZINC000020392407 557012823 /nfs/dbraw/zinc/01/28/23/557012823.db2.gz PKQMGLPIULAKDM-LBPRGKRZSA-N 0 0 432.408 5.988 50 30 IKEARN COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)c1 ZINC000032943032 557013949 /nfs/dbraw/zinc/01/39/49/557013949.db2.gz UZWJXJKATJZCER-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 biogenic IKEARN CC(=CNOC(=O)c1cc2ccccc2s1)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000020413197 557014514 /nfs/dbraw/zinc/01/45/14/557014514.db2.gz VKTMYCYIAZEJOP-HHAMRVRLSA-N 0 0 440.739 6.492 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943054 557015059 /nfs/dbraw/zinc/01/50/59/557015059.db2.gz ZPQRFSZRERRVRU-UHFFFAOYSA-N 0 0 444.966 5.824 50 30 IKEARN COc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12 ZINC000032943168 557017297 /nfs/dbraw/zinc/01/72/97/557017297.db2.gz JPUNZOQIHFQMGV-UHFFFAOYSA-N 0 0 446.938 5.271 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(Cl)ccc2C)cc1 ZINC000032943250 557018010 /nfs/dbraw/zinc/01/80/10/557018010.db2.gz BDSPPEARICHCLL-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1ccc(C)c(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943340 557018203 /nfs/dbraw/zinc/01/82/03/557018203.db2.gz UXQMGWAAOZIMEI-UHFFFAOYSA-N 0 0 442.538 5.673 50 30 IKEARN Cc1ccc(C)c(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943330 557018512 /nfs/dbraw/zinc/01/85/12/557018512.db2.gz VMOLSDMUBZUTKX-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000098022930 557028273 /nfs/dbraw/zinc/02/82/73/557028273.db2.gz VXNVHNQTCVOTEH-RUZDIDTESA-N 0 0 442.600 6.602 50 30 IKEARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 ZINC000023153761 557028544 /nfs/dbraw/zinc/02/85/44/557028544.db2.gz XKFBRTYLQSZLCJ-UHFFFAOYSA-N 0 0 445.588 5.609 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000098021313 557029077 /nfs/dbraw/zinc/02/90/77/557029077.db2.gz BBFGQDJEHFMWER-RUZDIDTESA-N 0 0 442.600 6.684 50 30 IKEARN CCCCCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC ZINC000098021304 557029102 /nfs/dbraw/zinc/02/91/02/557029102.db2.gz LGSJAVJNBHTZMX-DEOSSOPVSA-N 0 0 426.582 5.773 50 30 IKEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1 ZINC000032946178 557030508 /nfs/dbraw/zinc/03/05/08/557030508.db2.gz GODVTQMCVWRJAZ-UHFFFAOYSA-N 0 0 446.982 5.387 50 30 IKEARN O=C(/C=C/c1ccc2cccnc2c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000017191571 557037296 /nfs/dbraw/zinc/03/72/96/557037296.db2.gz ZNIJKFJWEBVTNH-UKTHLTGXSA-N 0 0 436.898 6.293 50 30 IKEARN O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000017178368 557038184 /nfs/dbraw/zinc/03/81/84/557038184.db2.gz QXPCMONMGSTKOM-JDFKBJJRSA-N 0 0 439.547 6.182 50 30 IKEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000046126865 557038501 /nfs/dbraw/zinc/03/85/01/557038501.db2.gz QLNZBHMPEDURBU-UHFFFAOYSA-N 0 0 426.442 5.115 50 30 IKEARN CCCCCCCCCOc1ccc(-c2ccc(CCCCCCCCC)cn2)c(O)c1 ZINC000098044746 557046065 /nfs/dbraw/zinc/04/60/65/557046065.db2.gz QMGYWYBIYBRMPG-UHFFFAOYSA-N 0 0 439.684 8.877 50 30 IKEARN CCOC(=O)c1c2c(C#N)c(CSc3ccc(Cl)cc3)cn2c2ccccc2c1C ZINC000048229437 557048690 /nfs/dbraw/zinc/04/86/90/557048690.db2.gz XCQBCHHVJGLZPN-UHFFFAOYSA-N 0 0 434.948 6.395 50 30 IKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271491 557049134 /nfs/dbraw/zinc/04/91/34/557049134.db2.gz YZVJAHKIUBMVHT-SFHVURJKSA-N 0 0 430.533 5.138 50 30 IKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271490 557049261 /nfs/dbraw/zinc/04/92/61/557049261.db2.gz YZVJAHKIUBMVHT-GOSISDBHSA-N 0 0 430.533 5.138 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3c(CC)cccc3CC)cc2-c2ccccc2S1(=O)=O ZINC000033271933 557050347 /nfs/dbraw/zinc/05/03/47/557050347.db2.gz BORBMSNNQMZAPS-UHFFFAOYSA-N 0 0 446.572 5.425 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)cc1 ZINC000048253041 557052247 /nfs/dbraw/zinc/05/22/47/557052247.db2.gz PPSZQGMYIBBZHA-RMKNXTFCSA-N 0 0 428.315 5.986 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1 ZINC000048252875 557052251 /nfs/dbraw/zinc/05/22/51/557052251.db2.gz HHYLNDUEXQCOKD-PKNBQFBNSA-N 0 0 438.321 5.442 50 30 IKEARN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1/N=C/c1ccc(OCCCC(C)C)cc1 ZINC000004737238 557057845 /nfs/dbraw/zinc/05/78/45/557057845.db2.gz NLUAOFURCOUWCG-AJBULDERSA-N 0 0 429.648 8.028 50 30 IKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOCC2)c1 ZINC000048303090 557064457 /nfs/dbraw/zinc/06/44/57/557064457.db2.gz IPRHKOLOWXIVPG-VQHVLOKHSA-N 0 0 428.315 5.986 50 30 IKEARN Cc1cccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 ZINC000033293966 557072263 /nfs/dbraw/zinc/07/22/63/557072263.db2.gz WDDOOQVKKGTHIE-LDADJPATSA-N 0 0 432.530 5.507 50 30 IKEARN CCOCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc32)S/C1=N\c1ccccc1 ZINC000023410832 557091271 /nfs/dbraw/zinc/09/12/71/557091271.db2.gz VFKLXYWMVBLTJV-PFMNSIPKSA-N 0 0 432.545 5.489 50 30 IKEARN Cc1cccc(C)c1/N=C1\Oc2ccccc2N(C(=O)C(F)(F)F)[C@]1(C)c1ccccn1 ZINC000004763286 557093822 /nfs/dbraw/zinc/09/38/22/557093822.db2.gz BTVFTQFAISVIFA-WEHFJGPMSA-N 0 0 439.437 5.632 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)c(OC)c1)C2 ZINC000033321133 557106059 /nfs/dbraw/zinc/10/60/59/557106059.db2.gz QUFAHBDDTDEJPC-VOIUYBSRSA-N 0 0 446.503 5.054 50 30 IKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)c(OC)c1)C2 ZINC000033321132 557106091 /nfs/dbraw/zinc/10/60/91/557106091.db2.gz QUFAHBDDTDEJPC-GYCJOSAFSA-N 0 0 446.503 5.054 50 30 IKEARN C[C@@H]1CCCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)C1 ZINC000033324471 557106361 /nfs/dbraw/zinc/10/63/61/557106361.db2.gz BFDQSXGTUVUUFP-CQSZACIVSA-N 0 0 442.313 5.384 50 30 IKEARN N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1NCc1ccco1 ZINC000033324447 557106389 /nfs/dbraw/zinc/10/63/89/557106389.db2.gz OWIDJIMUTPJCTJ-UHFFFAOYSA-N 0 0 440.253 5.353 50 30 IKEARN C=CCn1c(-c2ccc(-c3ccccc3)cc2)csc1=NNC(=O)Nc1ccccc1 ZINC000017729768 557112815 /nfs/dbraw/zinc/11/28/15/557112815.db2.gz FRDLAGRDCPPIOK-FVDSYPCUSA-N 0 0 426.545 5.911 50 30 IKEARN COc1cc(/C=C2\CC/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C ZINC000033334027 557117349 /nfs/dbraw/zinc/11/73/49/557117349.db2.gz BPFXIWBXTKYKNV-VOKWCDJLSA-N 0 0 436.548 6.108 50 30 IKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1OC ZINC000014922462 557121351 /nfs/dbraw/zinc/12/13/51/557121351.db2.gz RJJMZFOHEQRUCY-YSURURNPSA-N 0 0 441.862 5.946 50 30 IKEARN Cc1ccc(Cl)cc1-c1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)o1 ZINC000033347567 557123042 /nfs/dbraw/zinc/12/30/42/557123042.db2.gz BFHPEEGDNAPDDT-ODLFYWEKSA-N 0 0 429.328 6.453 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000033349268 557127667 /nfs/dbraw/zinc/12/76/67/557127667.db2.gz UOGUPGAITPLEMD-WOJGMQOQSA-N 0 0 433.888 5.289 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000033349368 557127712 /nfs/dbraw/zinc/12/77/12/557127712.db2.gz ZLOQDEMQFPTAIE-LICLKQGHSA-N 0 0 434.300 5.255 50 30 IKEARN C#CCOc1c(Cl)cc(C=C2SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OCC ZINC000033349642 557127760 /nfs/dbraw/zinc/12/77/60/557127760.db2.gz KODLHJUTWZDHFO-DEDYPNTBSA-N 0 0 440.952 5.450 50 30 IKEARN Cc1cc(Cl)c(S(=O)(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000033352643 557128127 /nfs/dbraw/zinc/12/81/27/557128127.db2.gz TZWGFLJJIXSACP-CFRMEGHHSA-N 0 0 449.359 5.193 50 30 IKEARN CCCCCCCCCCCCCCCCCCSCC/N=C/c1ccc(O)cc1O ZINC000033354152 557129871 /nfs/dbraw/zinc/12/98/71/557129871.db2.gz TXQJBARSXVYLGF-ZZIIXHQDSA-N 0 0 449.745 8.511 50 30 IKEARN CCCCCCCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccccc1 ZINC000033354430 557130757 /nfs/dbraw/zinc/13/07/57/557130757.db2.gz CVNMVWYEEXXDLC-HSZRJFAPSA-N 0 0 427.610 5.622 50 30 biogenic IKEARN C#CCOc1cc(Br)c([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000002776226 557132100 /nfs/dbraw/zinc/13/21/00/557132100.db2.gz BVJODGJFCNGHAW-QGZVFWFLSA-N 0 0 436.305 5.097 50 30 IKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009041176 557133083 /nfs/dbraw/zinc/13/30/83/557133083.db2.gz DYQWWXXDCPZJAQ-QHCPKHFHSA-N 0 0 431.488 5.190 50 30 IKEARN CC[N+](CC)(CCC/C(=N\[O-])C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000004808267 557134619 /nfs/dbraw/zinc/13/46/19/557134619.db2.gz RDRXJUPAAVBLKZ-ORIPQNMZSA-O 0 0 431.600 5.590 50 30 IKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000009985056 557142757 /nfs/dbraw/zinc/14/27/57/557142757.db2.gz DNMTVJMATFLCQQ-FQEVSTJZSA-N 0 0 439.606 5.088 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)cc1 ZINC000003146381 557144279 /nfs/dbraw/zinc/14/42/79/557144279.db2.gz BSKNHUYOLRAHTQ-XMMPIXPASA-N 0 0 439.596 5.813 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000003146698 557144282 /nfs/dbraw/zinc/14/42/82/557144282.db2.gz GHDFLDDQEXFYLU-QHCPKHFHSA-N 0 0 441.568 5.041 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1Cl ZINC000016247899 557148057 /nfs/dbraw/zinc/14/80/57/557148057.db2.gz GFRHSMQNJXCAJM-DJUDNFEDSA-N 0 0 434.348 5.140 50 30 IKEARN Cc1ccc2c(ccc3c2[C@H](c2ccc(OCc4ccccc4)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718229 557148520 /nfs/dbraw/zinc/14/85/20/557148520.db2.gz CYJCERZENOXEDI-NDEPHWFRSA-N 0 0 446.550 6.687 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009861205 557152530 /nfs/dbraw/zinc/15/25/30/557152530.db2.gz VMSZIZZFUSRMGY-XMMPIXPASA-N 0 0 445.563 5.031 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1OC ZINC000000781127 557176468 /nfs/dbraw/zinc/17/64/68/557176468.db2.gz AMBPRWLLGRGDJA-MMTVBGGISA-N 0 0 440.543 5.992 50 30 IKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3O)C2=N)S1 ZINC000097966218 557180223 /nfs/dbraw/zinc/18/02/23/557180223.db2.gz DRUBGDOYKQFQPZ-YMGOLSLPSA-N 0 0 449.374 5.134 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccco1 ZINC000009306086 557186078 /nfs/dbraw/zinc/18/60/78/557186078.db2.gz WSTAYYDYEFXLJH-UHFFFAOYSA-N 0 0 443.743 5.415 50 30 IKEARN O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000097993040 557187590 /nfs/dbraw/zinc/18/75/90/557187590.db2.gz YGWPNMBKQYDKMF-KXFIGUGUSA-N 0 0 432.288 5.739 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1 ZINC000098001384 557188838 /nfs/dbraw/zinc/18/88/38/557188838.db2.gz WGKAXUFQNMRISR-UHFFFAOYSA-N 0 0 431.661 8.063 50 30 biogenic IKEARN COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc21 ZINC000098000621 557188906 /nfs/dbraw/zinc/18/89/06/557188906.db2.gz GPQIJOKWTGVQHC-QXMHVHEDSA-N 0 0 446.528 6.095 50 30 IKEARN C=CCNC(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1 ZINC000100825746 557189783 /nfs/dbraw/zinc/18/97/83/557189783.db2.gz BIPIQBZJHZFACR-SCDSTIRESA-N 0 0 432.545 5.021 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3ccccc3Cl)C12 ZINC000096319731 557199463 /nfs/dbraw/zinc/19/94/63/557199463.db2.gz ZANBSNHVQUHHKS-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1F ZINC000000796172 557209031 /nfs/dbraw/zinc/20/90/31/557209031.db2.gz FCZUYRRMNXRNNS-UHFFFAOYSA-N 0 0 447.506 5.114 50 30 IKEARN CC1=CC(C)(C)NC(=S)N1c1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1 ZINC000100984972 557209885 /nfs/dbraw/zinc/20/98/85/557209885.db2.gz CSDFWDDSRJQBNW-YRNVUSSQSA-N 0 0 431.388 6.266 50 30 IKEARN Oc1ccc2ccccc2c1CN=Nc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000025583655 557217395 /nfs/dbraw/zinc/21/73/95/557217395.db2.gz TWGKAJHNSKEEGN-LUOAPIJWSA-N 0 0 430.920 6.317 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013693 557224991 /nfs/dbraw/zinc/22/49/91/557224991.db2.gz UOLSNFLKQATORM-DEOSSOPVSA-N 0 0 432.539 5.631 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000101075851 557225789 /nfs/dbraw/zinc/22/57/89/557225789.db2.gz CUZHAURJCHYASZ-YDJIHCHBSA-N 0 0 434.289 5.075 50 30 IKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000097944934 557229950 /nfs/dbraw/zinc/22/99/50/557229950.db2.gz WZZYFYYJSCDNGW-OCTOJFLBSA-N 0 0 438.528 6.065 50 30 IKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nn1cnnc1)C(Cl)(Cl)Cl ZINC000097950949 557230655 /nfs/dbraw/zinc/23/06/55/557230655.db2.gz NHYATYLVGJSZJG-KRWDZBQOSA-N 0 0 440.847 5.335 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(CC)cc2)cc1 ZINC000098021391 557232251 /nfs/dbraw/zinc/23/22/51/557232251.db2.gz QCVFHRMQHKDPKF-AREMUKBSSA-N 0 0 438.637 6.717 50 30 IKEARN C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(OP(C(C)(C)C)C(C)(C)C)n1 ZINC000098043383 557232645 /nfs/dbraw/zinc/23/26/45/557232645.db2.gz UMZSGKRJFYPVEF-VFCFBJKWSA-N 0 0 440.612 8.842 50 30 IKEARN CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100003531 557236892 /nfs/dbraw/zinc/23/68/92/557236892.db2.gz DBPFAJNWKCOZOA-IBGZPJMESA-N 0 0 447.915 5.107 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccc(Cl)c([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100003718 557236912 /nfs/dbraw/zinc/23/69/12/557236912.db2.gz QUYQBEJRYLGLOV-LJQANCHMSA-N 0 0 447.915 5.107 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006857 557237278 /nfs/dbraw/zinc/23/72/78/557237278.db2.gz NAVBTWPITMDHNM-IBGZPJMESA-N 0 0 447.369 5.308 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006831 557237284 /nfs/dbraw/zinc/23/72/84/557237284.db2.gz DQTUPAIZFSEFNI-IBGZPJMESA-N 0 0 437.363 5.853 50 30 IKEARN O=C1C[C@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000100032804 557238138 /nfs/dbraw/zinc/23/81/38/557238138.db2.gz DMTGWMBPXZPIDN-FQEVSTJZSA-N 0 0 435.936 5.505 50 30 IKEARN CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100046937 557238809 /nfs/dbraw/zinc/23/88/09/557238809.db2.gz WRYIIOKOQSICTB-UHFFFAOYSA-N 0 0 432.264 7.476 50 30 IKEARN CCc1ccc(C(=O)C2=CN(c3ccc(OC)cc3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950820 557239079 /nfs/dbraw/zinc/23/90/79/557239079.db2.gz RMCNOFWMOGJHQW-UHFFFAOYSA-N 0 0 437.492 5.046 50 30 IKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000100067553 557239116 /nfs/dbraw/zinc/23/91/16/557239116.db2.gz PAFDWGGOUSGOKZ-UHFFFAOYSA-N 0 0 444.619 7.444 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000026458892 557241628 /nfs/dbraw/zinc/24/16/28/557241628.db2.gz ZVGPQTYFCIDOCY-QHCPKHFHSA-N 0 0 449.478 5.329 50 30 IKEARN N#Cc1c2c(c(N3CCOCC3)nc1SCc1ccc(Cl)c(Cl)c1)CCCC2 ZINC000018142112 557242767 /nfs/dbraw/zinc/24/27/67/557242767.db2.gz HBUSOGTYFVMSIC-UHFFFAOYSA-N 0 0 434.392 5.268 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000018156947 557244570 /nfs/dbraw/zinc/24/45/70/557244570.db2.gz VUXPEMRNQDGDKF-LYZGTLIUSA-N 0 0 440.518 6.055 50 30 IKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1COc1ccc(F)cc1 ZINC000018172703 557245249 /nfs/dbraw/zinc/24/52/49/557245249.db2.gz LIZRBLCKQSXCIM-UHFFFAOYSA-N 0 0 431.511 5.588 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000018166734 557245289 /nfs/dbraw/zinc/24/52/89/557245289.db2.gz VUXPEMRNQDGDKF-RBTNQOKQSA-N 0 0 440.518 6.055 50 30 IKEARN CSc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018195212 557247617 /nfs/dbraw/zinc/24/76/17/557247617.db2.gz GHICSDMMNMNMKW-FQEVSTJZSA-N 0 0 431.561 5.088 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(Cl)c1Cl ZINC000018195706 557247907 /nfs/dbraw/zinc/24/79/07/557247907.db2.gz BTSCACKNJHAWSW-QGZVFWFLSA-N 0 0 426.303 5.037 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000018196063 557247914 /nfs/dbraw/zinc/24/79/14/557247914.db2.gz OAQLJFMJSUJXHE-SFHVURJKSA-N 0 0 426.303 5.037 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196823 557248308 /nfs/dbraw/zinc/24/83/08/557248308.db2.gz HMFASLZNPOGAOM-SANMLTNESA-N 0 0 425.484 5.559 50 30 IKEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)O2 ZINC000018196527 557248311 /nfs/dbraw/zinc/24/83/11/557248311.db2.gz LVADXVUHQUATHL-JOCHJYFZSA-N 0 0 449.348 5.534 50 30 IKEARN O=c1[nH][nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196455 557248327 /nfs/dbraw/zinc/24/83/27/557248327.db2.gz JLVGSBSCDDEIGY-VFZGTOFNSA-N 0 0 432.332 5.442 50 30 IKEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)O2 ZINC000018196525 557248331 /nfs/dbraw/zinc/24/83/31/557248331.db2.gz LVADXVUHQUATHL-QFIPXVFZSA-N 0 0 449.348 5.534 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccs1 ZINC000018196871 557248339 /nfs/dbraw/zinc/24/83/39/557248339.db2.gz SQACQJKZINATSO-QKKBWIMNSA-N 0 0 445.569 5.247 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000018196608 557248397 /nfs/dbraw/zinc/24/83/97/557248397.db2.gz YTTZVWJKAJHGPI-XMMPIXPASA-N 0 0 449.510 5.522 50 30 IKEARN O=C1CCCC2=C1[C@H](c1cccc(OCc3ccccc3)c1)c1cc3c(cc1N2)OCO3 ZINC000018196829 557248411 /nfs/dbraw/zinc/24/84/11/557248411.db2.gz METSHPXHVXMWDW-AREMUKBSSA-N 0 0 425.484 5.559 50 30 IKEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196406 557248416 /nfs/dbraw/zinc/24/84/16/557248416.db2.gz QEYTXOORWHXMGP-QFYYESIMSA-N 0 0 432.332 5.442 50 30 IKEARN C=CCOc1ccc([C@@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1 ZINC000018196906 557248425 /nfs/dbraw/zinc/24/84/25/557248425.db2.gz VVZJJOOVIGABQJ-RUZDIDTESA-N 0 0 426.516 5.336 50 30 IKEARN COc1cc2c(cc1OC)[C@H](c1sccc1C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018200059 557249007 /nfs/dbraw/zinc/24/90/07/557249007.db2.gz HZZDGHGPDKORAN-PEBXRYMYSA-N 0 0 437.586 6.093 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000018197984 557249981 /nfs/dbraw/zinc/24/99/81/557249981.db2.gz URQJYBWTKMYXPV-MZNJEOGPSA-N 0 0 440.528 5.548 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018199733 557251164 /nfs/dbraw/zinc/25/11/64/557251164.db2.gz BSZSZVHMRDROBO-MHECFPHRSA-N 0 0 438.556 5.595 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=NN=Cc1ccc(C(C)C)cc1 ZINC000027018440 557254518 /nfs/dbraw/zinc/25/45/18/557254518.db2.gz VFOVSNCOPHVUTF-ATCIDIOVSA-N 0 0 434.565 5.639 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000027019103 557254635 /nfs/dbraw/zinc/25/46/35/557254635.db2.gz MLVZRIFGYOXTAR-LYBHJNIJSA-N 0 0 439.555 7.338 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1c[nH]c2ccccc21 ZINC000018285124 557255859 /nfs/dbraw/zinc/25/58/59/557255859.db2.gz XTDJTDQSFSJBQM-MHZLTWQESA-N 0 0 441.575 6.357 50 30 IKEARN CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000100284436 557256515 /nfs/dbraw/zinc/25/65/15/557256515.db2.gz QRRYWNQSMJSSHK-UHFFFAOYSA-N 0 0 444.571 7.133 50 30 IKEARN Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000100299239 557257114 /nfs/dbraw/zinc/25/71/14/557257114.db2.gz WQOBNVGZJDEOQA-DHRITJCHSA-N 0 0 449.304 6.212 50 30 IKEARN CCCCCCCCSC1=C(SCCCCCCCC)C(=O)c2ccccc2C1=O ZINC000100314024 557257473 /nfs/dbraw/zinc/25/74/73/557257473.db2.gz NHKODPLUMGYRPO-UHFFFAOYSA-N 0 0 446.722 8.465 50 30 IKEARN C/C=C/CS/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 ZINC000101163603 557257760 /nfs/dbraw/zinc/25/77/60/557257760.db2.gz UYJRVIXDNKROQI-JCAHRCEDSA-N 0 0 442.971 5.395 50 30 IKEARN COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c(OC)c1 ZINC000027229324 557258848 /nfs/dbraw/zinc/25/88/48/557258848.db2.gz QEQRJXQJVVELOU-FRKPEAEDSA-N 0 0 442.846 5.268 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1Br ZINC000100416829 557260165 /nfs/dbraw/zinc/26/01/65/557260165.db2.gz BBECWGAEABMBCV-IBGZPJMESA-N 0 0 434.333 5.387 50 30 IKEARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(Nc2cccc([N+](=O)[O-])c2)=C1Cl ZINC000100435897 557261431 /nfs/dbraw/zinc/26/14/31/557261431.db2.gz ROGGGZHKCKKMMT-UHFFFAOYSA-N 0 0 438.481 6.424 50 30 IKEARN Cc1ccc2oc(-c3cccc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc54)c3C)nc2c1 ZINC000100502250 557262628 /nfs/dbraw/zinc/26/26/28/557262628.db2.gz UWTOZTJZJWDZBR-MZJWZYIUSA-N 0 0 437.455 6.629 50 30 IKEARN CCOc1ccccc1NC(=O)c1c(/N=C/c2sccc2C)sc2c1CCCCC2 ZINC000101185166 557262727 /nfs/dbraw/zinc/26/27/27/557262727.db2.gz BRUXYNJBJZBKEK-MFKUBSTISA-N 0 0 438.618 6.789 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1 ZINC000101226868 557263788 /nfs/dbraw/zinc/26/37/88/557263788.db2.gz WMOZZLXNNLEPKD-OCLJWFPGSA-N 0 0 434.348 5.140 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F ZINC000100557869 557264563 /nfs/dbraw/zinc/26/45/63/557264563.db2.gz MWMIJAWLJKOUTF-AVRWGWEMSA-N 0 0 449.522 5.149 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100556524 557264612 /nfs/dbraw/zinc/26/46/12/557264612.db2.gz XEXSXBVLADCZJZ-FQRUVTKNSA-N 0 0 443.543 5.240 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547078 557265220 /nfs/dbraw/zinc/26/52/20/557265220.db2.gz XUQUTXAGLBYFDG-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(NC(=O)c4ccccc4)cnn3[C@H]2c2ccc(Cl)cc2)C1 ZINC000027562067 557265390 /nfs/dbraw/zinc/26/53/90/557265390.db2.gz LEPOKOHCWPBDRU-QFIPXVFZSA-N 0 0 446.938 5.447 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1 ZINC000101284415 557267390 /nfs/dbraw/zinc/26/73/90/557267390.db2.gz HYFINDSUFXJXER-LJQANCHMSA-N 0 0 447.377 5.233 50 30 IKEARN C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100685928 557269347 /nfs/dbraw/zinc/26/93/47/557269347.db2.gz GTMJEAVXRNJUAA-GHTZIAJQSA-N 0 0 429.383 5.193 50 30 IKEARN CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 ZINC000008386410 557269699 /nfs/dbraw/zinc/26/96/99/557269699.db2.gz FWOUWKBCWFJYME-OKCVXOCRSA-N 0 0 429.915 5.848 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(NCc3ccccc3)C2)cc1 ZINC000100960862 557280032 /nfs/dbraw/zinc/28/00/32/557280032.db2.gz JLGIREMWIKPHSD-NRFANRHFSA-N 0 0 442.584 5.625 50 30 IKEARN COc1ccc([C@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(NCc3ccccc3)C2)cc1 ZINC000100960859 557280076 /nfs/dbraw/zinc/28/00/76/557280076.db2.gz JLGIREMWIKPHSD-OAQYLSRUSA-N 0 0 442.584 5.625 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000101069147 557282296 /nfs/dbraw/zinc/28/22/96/557282296.db2.gz ADGQZNVEYUIKPL-UHFFFAOYSA-N 0 0 447.369 5.935 50 30 IKEARN CCCCCCCCCOc1ccc(C(C)=NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000101428969 557283679 /nfs/dbraw/zinc/28/36/79/557283679.db2.gz PQMDNMWVYXZVIC-ZTKZIYFRSA-N 0 0 438.015 7.854 50 30 IKEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(OCc3ccccc3)c(OC)c2)o1 ZINC000101411364 557284347 /nfs/dbraw/zinc/28/43/47/557284347.db2.gz GZMCJAKJSKURQJ-MTDXEUNCSA-N 0 0 446.551 6.093 50 30 IKEARN C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccccc1OC ZINC000014069045 557297284 /nfs/dbraw/zinc/29/72/84/557297284.db2.gz QSLUOPKVUWVMEP-UHFFFAOYSA-N 0 0 433.537 5.044 50 30 IKEARN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000102112725 557299369 /nfs/dbraw/zinc/29/93/69/557299369.db2.gz XREVEVJIGHQCDH-RWPZCVJISA-N 0 0 443.547 7.363 50 30 IKEARN C=CCn1c(-c2ccc(-c3ccccc3)cc2)csc1=NNC(=O)Nc1ccccc1 ZINC000102302909 557300763 /nfs/dbraw/zinc/30/07/63/557300763.db2.gz FRDLAGRDCPPIOK-AZPGRJICSA-N 0 0 426.545 5.721 50 30 IKEARN C[C@H]1CC/C(=C\c2c(Cl)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000102265849 557300869 /nfs/dbraw/zinc/30/08/69/557300869.db2.gz OMNFGJKJTUMWAP-NLCLAEEJSA-N 0 0 426.170 7.766 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1Cl ZINC000002865525 557302846 /nfs/dbraw/zinc/30/28/46/557302846.db2.gz XTKROYNLQYLBHO-MRXNPFEDSA-N 0 0 441.000 6.029 50 30 IKEARN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000101956254 557308854 /nfs/dbraw/zinc/30/88/54/557308854.db2.gz CHZLDNRUXDPLCO-ARJAWSKDSA-N 0 0 428.159 6.840 50 30 IKEARN CC(C)c1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101972816 557309386 /nfs/dbraw/zinc/30/93/86/557309386.db2.gz BOWWLZSRFBIMJB-JOCHJYFZSA-N 0 0 427.548 5.490 50 30 IKEARN C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000002831010 557312773 /nfs/dbraw/zinc/31/27/73/557312773.db2.gz CLEZXPHKEFBHHQ-UHFFFAOYSA-N 0 0 439.631 5.985 50 30 IKEARN CCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000102136845 557313299 /nfs/dbraw/zinc/31/32/99/557313299.db2.gz JRWHJVBJPMAUGZ-JOCHJYFZSA-N 0 0 437.565 5.326 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000002861753 557313459 /nfs/dbraw/zinc/31/34/59/557313459.db2.gz RJPBTZFJAQJMLE-INIZCTEOSA-N 0 0 426.973 5.209 50 30 IKEARN CCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103538481 557315933 /nfs/dbraw/zinc/31/59/33/557315933.db2.gz IMLHOIBHVRYUCZ-UHFFFAOYSA-N 0 0 434.236 6.322 50 30 IKEARN Cc1ccc(N=NC(N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C(C)C)cc1 ZINC000103755703 557318257 /nfs/dbraw/zinc/31/82/57/557318257.db2.gz MKOYMYUJFTUVRX-NOKXCCNCSA-N 0 0 434.547 7.284 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102401953 557321012 /nfs/dbraw/zinc/32/10/12/557321012.db2.gz CAGWHKOMOXFQJN-LFVOPCPISA-N 0 0 438.574 5.571 50 30 IKEARN C=C(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nc2sc3c(c2c1=O)CCC3 ZINC000002848156 557324677 /nfs/dbraw/zinc/32/46/77/557324677.db2.gz QNXPZKRTZPIGRX-UHFFFAOYSA-N 0 0 437.011 5.213 50 30 IKEARN CCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000000832175 557327894 /nfs/dbraw/zinc/32/78/94/557327894.db2.gz UGYIHEJMGSWRPB-VWLOTQADSA-N 0 0 445.559 5.433 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102484826 557331070 /nfs/dbraw/zinc/33/10/70/557331070.db2.gz YNCMWBGODJXPGF-MOBKVPTQSA-N 0 0 448.906 5.150 50 30 IKEARN Cc1ccc(C)n1-c1ccc(C(=O)C=CNc2ccc(I)cc2)cc1 ZINC000100133878 557331748 /nfs/dbraw/zinc/33/17/48/557331748.db2.gz UDKKWGSHBMNHJN-BUHFOSPRSA-N 0 0 442.300 5.507 50 30 IKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@H](c2ccccc2)CC1=O ZINC000100138545 557332830 /nfs/dbraw/zinc/33/28/30/557332830.db2.gz WIHOITWLAPDKRG-QFIPXVFZSA-N 0 0 442.603 6.077 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccc(Br)cc2)cc1 ZINC000100139965 557332990 /nfs/dbraw/zinc/33/29/90/557332990.db2.gz CPVPUQOQDUTXIY-HYARGMPZSA-N 0 0 429.339 5.309 50 30 IKEARN CCCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc21)=C1C(=O)CCCC1=O ZINC000100140276 557333950 /nfs/dbraw/zinc/33/39/50/557333950.db2.gz AGHXEBKCNYAXGW-UHFFFAOYSA-N 0 0 444.575 5.564 50 30 IKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)cc(C)c3NC(C)(C)C2=S)S1 ZINC000033349868 557334050 /nfs/dbraw/zinc/33/40/50/557334050.db2.gz KVPVOSZTHPIWLM-NKFKGCMQSA-N 0 0 437.655 6.984 50 30 IKEARN Cc1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)C(=O)N2Cc1c(Cl)cccc1Cl ZINC000100144038 557334222 /nfs/dbraw/zinc/33/42/22/557334222.db2.gz LMCYOHSWEIALPE-YYADALCUSA-N 0 0 429.734 6.623 50 30 IKEARN N#Cc1ccc(-c2csc(-c3cccc(-c4nc(-c5ccc(C#N)cc5)cs4)c3)n2)cc1 ZINC000084847086 557334922 /nfs/dbraw/zinc/33/49/22/557334922.db2.gz VXTSQYMTQLWWHN-UHFFFAOYSA-N 0 0 446.560 7.011 50 30 IKEARN CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)N(CCCC)C1=O ZINC000100167850 557339972 /nfs/dbraw/zinc/33/99/72/557339972.db2.gz NXBCRAFZZWCCCI-VLGSPTGOSA-N 0 0 449.979 5.293 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102533894 557344254 /nfs/dbraw/zinc/34/42/54/557344254.db2.gz RGPZFPVPVVZFBS-JBCNATCCSA-N 0 0 448.862 5.183 50 30 IKEARN N#CCc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023332327 557344555 /nfs/dbraw/zinc/34/45/55/557344555.db2.gz UPSHCNCZQNNDHQ-RUZDIDTESA-N 0 0 444.966 5.345 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102509229 557349277 /nfs/dbraw/zinc/34/92/77/557349277.db2.gz CULBWZKLZZUWJE-HOGKFDNTSA-N 0 0 440.524 5.539 50 30 IKEARN CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000023382694 557352195 /nfs/dbraw/zinc/35/21/95/557352195.db2.gz IJFTXIIWAWJZNS-GIJQJNRQSA-N 0 0 447.343 5.889 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102520849 557352605 /nfs/dbraw/zinc/35/26/05/557352605.db2.gz IGKKIKNXSKMWIB-MOBKVPTQSA-N 0 0 446.572 5.818 50 30 IKEARN Cc1nc2sc3c(c2c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1)CCC3 ZINC000023406856 557352756 /nfs/dbraw/zinc/35/27/56/557352756.db2.gz GHEGYPGDGBTVON-CYBMUJFWSA-N 0 0 440.569 5.055 50 30 IKEARN Cc1nc2sc3c(c2c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1)CCC3 ZINC000023406857 557352856 /nfs/dbraw/zinc/35/28/56/557352856.db2.gz GHEGYPGDGBTVON-ZDUSSCGKSA-N 0 0 440.569 5.055 50 30 IKEARN O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000033725617 557353884 /nfs/dbraw/zinc/35/38/84/557353884.db2.gz MWWMRRUDDGMJNC-ALCCZGGFSA-N 0 0 431.395 5.451 50 30 IKEARN CCCCCCCCCNC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000102579733 557355350 /nfs/dbraw/zinc/35/53/50/557355350.db2.gz LHGFNDROADQXDN-UHFFFAOYSA-N 0 0 431.537 5.315 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000102580587 557355377 /nfs/dbraw/zinc/35/53/77/557355377.db2.gz BIGUSMGZIZKJAE-AYWGPLOBSA-N 0 0 431.919 6.090 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000102582594 557355389 /nfs/dbraw/zinc/35/53/89/557355389.db2.gz DRKMWZBPSIYESD-JBCNATCCSA-N 0 0 448.862 5.183 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000102589444 557356604 /nfs/dbraw/zinc/35/66/04/557356604.db2.gz JAXAOKXPROZBAT-HOGKFDNTSA-N 0 0 433.891 5.283 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102603006 557358207 /nfs/dbraw/zinc/35/82/07/557358207.db2.gz JGIXGZPRIAAVOA-HOGKFDNTSA-N 0 0 432.907 5.032 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2Cc1ccccc1 ZINC000023458996 557359757 /nfs/dbraw/zinc/35/97/57/557359757.db2.gz BQCJKENXRAQCKO-UHFFFAOYSA-N 0 0 427.529 5.425 50 30 IKEARN Cc1ccc(-c2ccc(CCC(=O)NCc3ccncc3)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023460735 557360649 /nfs/dbraw/zinc/36/06/49/557360649.db2.gz MIXCDOSODRYHLJ-UHFFFAOYSA-N 0 0 448.570 5.471 50 30 IKEARN N#Cc1cccc(C(=O)Nc2ccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)cc2)c1 ZINC000023460738 557360736 /nfs/dbraw/zinc/36/07/36/557360736.db2.gz CBIKYCIJGUKIDC-UHFFFAOYSA-N 0 0 433.467 5.311 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000102656300 557361605 /nfs/dbraw/zinc/36/16/05/557361605.db2.gz NDTUHKKTTBVOMI-LMTJQJACSA-N 0 0 444.556 5.377 50 30 IKEARN N#Cc1cccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)c1 ZINC000023458031 557363306 /nfs/dbraw/zinc/36/33/06/557363306.db2.gz KYTNHLFQDVXIDY-UHFFFAOYSA-N 0 0 432.527 5.566 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000102709964 557367588 /nfs/dbraw/zinc/36/75/88/557367588.db2.gz CIASECJJAFKZNO-MRJHHRETSA-N 0 0 436.895 5.386 50 30 IKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 ZINC000524729417 557368814 /nfs/dbraw/zinc/36/88/14/557368814.db2.gz SRRCNBDSXVCQOE-IVZMSFFOSA-N 0 0 426.468 5.573 50 30 biogenic IKEARN CCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(CC)cc3)S2)cc1 ZINC000011690582 557369775 /nfs/dbraw/zinc/36/97/75/557369775.db2.gz HOBDPAANGFGAPM-ZCBHOAFYSA-N 0 0 437.609 5.372 50 30 IKEARN N#Cc1c(NC(=O)CN2CCCc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 ZINC000220962133 557372029 /nfs/dbraw/zinc/37/20/29/557372029.db2.gz DVDPXIWEVUEPTE-UHFFFAOYSA-N 0 0 433.511 5.877 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC ZINC000100224992 557372157 /nfs/dbraw/zinc/37/21/57/557372157.db2.gz UJPJRKNWBKBOKH-PFMNSIPKSA-N 0 0 436.577 6.031 50 30 IKEARN O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000033854394 557372844 /nfs/dbraw/zinc/37/28/44/557372844.db2.gz GUSXMQOYSGXSHA-OQYWKCLKSA-N 0 0 432.234 6.729 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000102735447 557372863 /nfs/dbraw/zinc/37/28/63/557372863.db2.gz ODMCDKCDPHGAPK-YDJIHCHBSA-N 0 0 430.485 5.078 50 30 IKEARN O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000221028998 557375653 /nfs/dbraw/zinc/37/56/53/557375653.db2.gz IHJRFJPQJFYAPL-FGLVJAMNSA-N 0 0 443.930 5.303 50 30 IKEARN CCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000100231707 557376392 /nfs/dbraw/zinc/37/63/92/557376392.db2.gz YIVZYNHUIGSVON-UHFFFAOYSA-N 0 0 428.620 8.299 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)sc2c1 ZINC000102804449 557386388 /nfs/dbraw/zinc/38/63/88/557386388.db2.gz AJLACHGHSQMVBT-NHFXJNLRSA-N 0 0 446.553 5.547 50 30 IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102804633 557386397 /nfs/dbraw/zinc/38/63/97/557386397.db2.gz BIBJWBBIWYIXEY-YDJIHCHBSA-N 0 0 447.560 5.079 50 30 IKEARN Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000102799351 557389395 /nfs/dbraw/zinc/38/93/95/557389395.db2.gz OGZVJXQLZSJEIL-GHNGSUTGSA-N 0 0 442.899 5.179 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000102799929 557390220 /nfs/dbraw/zinc/39/02/20/557390220.db2.gz DAAUOTKSHYACPX-NHFXJNLRSA-N 0 0 442.353 5.451 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 ZINC000102857977 557399110 /nfs/dbraw/zinc/39/91/10/557399110.db2.gz XADIILSENQXNOH-AYWGPLOBSA-N 0 0 431.919 5.313 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102860205 557399740 /nfs/dbraw/zinc/39/97/40/557399740.db2.gz LSMHGTKATUANNY-AYWGPLOBSA-N 0 0 429.516 5.507 50 30 IKEARN COc1ccc(NN=C2c3ccccc3N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100327133 557399862 /nfs/dbraw/zinc/39/98/62/557399862.db2.gz ZIOBLCYCCFOOAP-SGWCAAJKSA-N 0 0 425.410 5.077 50 30 IKEARN O=C1/C(=N/c2ccc(C(F)(F)F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl ZINC000100406247 557401907 /nfs/dbraw/zinc/40/19/07/557401907.db2.gz LKLFBKJCUBRIMA-VFCFBJKWSA-N 0 0 449.259 6.680 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000102861246 557401972 /nfs/dbraw/zinc/40/19/72/557401972.db2.gz KTVQIUIZLKMUFG-NHFXJNLRSA-N 0 0 439.298 5.010 50 30 IKEARN N#Cc1c(C=CNc2ccc(Cl)cc2)snc1SCc1c(F)cccc1Cl ZINC000100418407 557402106 /nfs/dbraw/zinc/40/21/06/557402106.db2.gz GGWPWQVFBAQLNS-CMDGGOBGSA-N 0 0 436.364 6.836 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000118915791 557405851 /nfs/dbraw/zinc/40/58/51/557405851.db2.gz IKAYYSYGCHKPAB-BQXLQTKJSA-N 0 0 443.716 6.987 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)o1 ZINC000102882425 557408459 /nfs/dbraw/zinc/40/84/59/557408459.db2.gz JXSVYLLCVNFEBG-PGVNHDJNSA-N 0 0 444.512 5.441 50 30 IKEARN O=C(C=CNc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000100482269 557409032 /nfs/dbraw/zinc/40/90/32/557409032.db2.gz NTPXWDZNAVKBOK-MDZDMXLPSA-N 0 0 443.286 6.289 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102927416 557410519 /nfs/dbraw/zinc/41/05/19/557410519.db2.gz BDMQWHROPODKCK-LFVOPCPISA-N 0 0 436.508 5.206 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)c1c(O)cc(-c3ccccc3)cc1N2 ZINC000102931311 557412788 /nfs/dbraw/zinc/41/27/88/557412788.db2.gz DAZPGYPCGSSAIF-HHHXNRCGSA-N 0 0 447.513 6.188 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102931307 557412796 /nfs/dbraw/zinc/41/27/96/557412796.db2.gz DDOKQZLYLWWRCT-AYWGPLOBSA-N 0 0 445.515 5.208 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 ZINC000102996717 557414755 /nfs/dbraw/zinc/41/47/55/557414755.db2.gz GOUUSDDDVPVJFL-HSZRJFAPSA-N 0 0 443.588 5.299 50 30 IKEARN CCCCCCCCC(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000102996004 557414902 /nfs/dbraw/zinc/41/49/02/557414902.db2.gz QOIDQVPCPJEQQT-SFHVURJKSA-N 0 0 449.020 5.539 50 30 IKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(C)C ZINC000102997394 557415092 /nfs/dbraw/zinc/41/50/92/557415092.db2.gz BVMCHSZXVSSAQT-UHFFFAOYSA-N 0 0 440.628 6.186 50 30 IKEARN CCCCCCCCCCCC(=O)N(Cc1cccc(OS(=O)(=O)CC)c1)C(C)C ZINC000102999494 557415118 /nfs/dbraw/zinc/41/51/18/557415118.db2.gz HUJRPKVBOCKMMM-UHFFFAOYSA-N 0 0 439.662 6.073 50 30 IKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C[C@H]1CCCO1 ZINC000103000668 557415144 /nfs/dbraw/zinc/41/51/44/557415144.db2.gz CLZPIKHJUYLPIC-OAQYLSRUSA-N 0 0 435.609 5.322 50 30 IKEARN CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000102997150 557415154 /nfs/dbraw/zinc/41/51/54/557415154.db2.gz DHPCQWBBJFVLAM-AFUMVMLFSA-N 0 0 438.519 6.376 50 30 IKEARN CCN(CC)c1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1 ZINC000103449383 557437413 /nfs/dbraw/zinc/43/74/13/557437413.db2.gz WCSJCMGVQHMFOF-VYIQYICTSA-N 0 0 437.503 5.130 50 30 IKEARN Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1 ZINC000103746824 557441167 /nfs/dbraw/zinc/44/11/67/557441167.db2.gz FMGGJQSMQIOMEV-DAFNUICNSA-N 0 0 437.517 5.185 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000104182674 557452450 /nfs/dbraw/zinc/45/24/50/557452450.db2.gz BCDPESCVCNJTCL-LFVOPCPISA-N 0 0 438.936 5.546 50 30 IKEARN CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000104396194 557454929 /nfs/dbraw/zinc/45/49/29/557454929.db2.gz WHLBCNRCXJZXMF-MLBCHFTJSA-N 0 0 428.610 5.320 50 30 IKEARN CC1C/C(=C\c2cccc(Cl)c2Cl)C(=O)/C(=C\c2cccc(Cl)c2Cl)C1 ZINC000015980350 557468454 /nfs/dbraw/zinc/46/84/54/557468454.db2.gz XTGHSTCJEVFVMM-MBKDJOQRSA-N 0 0 426.170 7.766 50 30 IKEARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3cn4ccccc4c3C#N)c2n1 ZINC000014852658 557492771 /nfs/dbraw/zinc/49/27/71/557492771.db2.gz NBSQMZXNNACZCV-UHFFFAOYSA-N 0 0 440.286 5.097 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000105389122 557497263 /nfs/dbraw/zinc/49/72/63/557497263.db2.gz SDYMIDMUFXWPCF-CEHQPMRJSA-N 0 0 438.514 6.415 50 30 IKEARN O=C(/C=C/c1ccccc1Cl)Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 ZINC000002702111 557521798 /nfs/dbraw/zinc/52/17/98/557521798.db2.gz OKXYBIBYQZZFSH-MEGHBNGPSA-N 0 0 429.825 6.728 50 30 biogenic,in-vitro IKEARN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000003169720 557531710 /nfs/dbraw/zinc/53/17/10/557531710.db2.gz GATGLMYNXCFYRI-VULFUBBASA-N 0 0 443.300 6.867 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2cccc(Cl)c2)c1 ZINC000044858677 557537654 /nfs/dbraw/zinc/53/76/54/557537654.db2.gz GYQYCXPGEUMNCU-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(C)cc2)cc1 ZINC000044858801 557537970 /nfs/dbraw/zinc/53/79/70/557537970.db2.gz UQXLGNYKULKNHM-XMMPIXPASA-N 0 0 440.547 5.410 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2C)c1 ZINC000044858749 557538077 /nfs/dbraw/zinc/53/80/77/557538077.db2.gz CTQHTDAGXNQTDA-DEOSSOPVSA-N 0 0 440.547 5.410 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2Cl)cc1 ZINC000044859084 557538271 /nfs/dbraw/zinc/53/82/71/557538271.db2.gz ZLLGNARPMMGWAF-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 ZINC000044859196 557538475 /nfs/dbraw/zinc/53/84/75/557538475.db2.gz OPQQCNGWMJBAPQ-DEOSSOPVSA-N 0 0 440.547 5.410 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2C)cc1 ZINC000044859379 557538479 /nfs/dbraw/zinc/53/84/79/557538479.db2.gz FIZDVYYNKNRNCE-DEOSSOPVSA-N 0 0 440.547 5.410 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 ZINC000108519643 557543068 /nfs/dbraw/zinc/54/30/68/557543068.db2.gz OXCIYJZVMDHYKH-WXFUMESZSA-N 0 0 436.902 5.019 50 30 IKEARN CC(C)c1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 ZINC000045939487 557548375 /nfs/dbraw/zinc/54/83/75/557548375.db2.gz CNZSFMNVXBDDJZ-UHFFFAOYSA-N 0 0 428.580 5.901 50 30 IKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1 ZINC000045940373 557548795 /nfs/dbraw/zinc/54/87/95/557548795.db2.gz ZWKLITMFTURPIY-FQEVSTJZSA-N 0 0 442.607 6.291 50 30 IKEARN CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C(C)C)c2)cc1 ZINC000045940341 557548801 /nfs/dbraw/zinc/54/88/01/557548801.db2.gz GDJWNHDFFADOST-UHFFFAOYSA-N 0 0 444.579 5.782 50 30 IKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(OC)c(OC)c2)NCc2ccncc2)cc1 ZINC000045940375 557548805 /nfs/dbraw/zinc/54/88/05/557548805.db2.gz NZUGZJNIBOSLPW-GOSISDBHSA-N 0 0 446.551 5.010 50 30 IKEARN CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C(C)C)cc2)cc1 ZINC000045940651 557549007 /nfs/dbraw/zinc/54/90/07/557549007.db2.gz JXQVZOGDMCAZCR-UHFFFAOYSA-N 0 0 444.579 5.782 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3Cl)o1)Nc1ccccc1-2 ZINC000002978115 557661227 /nfs/dbraw/zinc/66/12/27/557661227.db2.gz HEQHHRVJMDBPHM-NRFANRHFSA-N 0 0 448.935 6.233 50 30 IKEARN C=CCc1ccc(OCCOCCOc2c(C)cc(C)cc2Br)c(OC)c1 ZINC000002987089 557670610 /nfs/dbraw/zinc/67/06/10/557670610.db2.gz VKHCMQFVEWHAKP-UHFFFAOYSA-N 0 0 435.358 5.277 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1nccs1 ZINC000000851169 557830357 /nfs/dbraw/zinc/83/03/57/557830357.db2.gz KFVWMQOKINLLDX-UHFFFAOYSA-N 0 0 428.542 5.475 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000854103 557831033 /nfs/dbraw/zinc/83/10/33/557831033.db2.gz BYIRBTICBVTIIR-XMMPIXPASA-N 0 0 432.520 5.214 50 30 biogenic IKEARN Cc1cc2c(cc1C)N[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000000861223 557832531 /nfs/dbraw/zinc/83/25/31/557832531.db2.gz NBBKZSFRFJSGCZ-HSZRJFAPSA-N 0 0 435.480 5.162 50 30 IKEARN O=C1c2ccccc2C(=O)C1=CC=C1N(c2ccccc2)c2ccccc2N1c1ccccc1 ZINC000685944678 557839283 /nfs/dbraw/zinc/83/92/83/557839283.db2.gz RWMRLOSVMAYMHG-UHFFFAOYSA-N 0 0 440.502 6.823 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N3CCCCC3)c2C#N)cc1 ZINC000000888145 557851597 /nfs/dbraw/zinc/85/15/97/557851597.db2.gz QXLLARCPQOCPND-UHFFFAOYSA-N 0 0 443.572 5.400 50 30 IKEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 ZINC000000888425 557851646 /nfs/dbraw/zinc/85/16/46/557851646.db2.gz DWCKHBZQQRHTPL-HNNXBMFYSA-N 0 0 438.622 5.385 50 30 IKEARN Cc1cc2c(c(Br)c1)NC(=O)C2=C1SC(=Nc2ccccc2Cl)NC1=O ZINC000015015836 557856148 /nfs/dbraw/zinc/85/61/48/557856148.db2.gz FFNCBCYMYCOOCG-FYWRMAATSA-N 0 0 448.729 5.274 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000003978649 560192807 /nfs/dbraw/zinc/19/28/07/560192807.db2.gz FVWJYYTZTCVBKE-VUFVRDRTSA-N 0 0 442.728 6.997 50 30 biogenic,in-vitro IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000000702610 562918985 /nfs/dbraw/zinc/91/89/85/562918985.db2.gz MVCVIBZAIIIDLV-HXUWFJFHSA-N 0 0 433.533 5.061 50 30 IKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 ZINC000000984349 562919895 /nfs/dbraw/zinc/91/98/95/562919895.db2.gz KYNOUCMSUPMWLO-DNQXCXABSA-N 0 0 427.504 5.128 50 30 IKEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@H](c2ccccc2)CC1=O ZINC000001076679 562920319 /nfs/dbraw/zinc/92/03/19/562920319.db2.gz SYRXVJCQXNAJMR-NRFANRHFSA-N 0 0 428.576 5.687 50 30 IKEARN N#Cc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1 ZINC000001383338 562921509 /nfs/dbraw/zinc/92/15/09/562921509.db2.gz INLCGMDMTPYGSQ-UHFFFAOYSA-N 0 0 429.448 6.168 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(Br)cc3)sc2C1 ZINC000002082041 562925783 /nfs/dbraw/zinc/92/57/83/562925783.db2.gz GINRSMLGSRKRLT-CQSZACIVSA-N 0 0 431.399 6.176 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002209695 562926328 /nfs/dbraw/zinc/92/63/28/562926328.db2.gz MQXYOFAVRXYSMF-UHFFFAOYSA-N 0 0 442.628 6.189 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3 ZINC000002208310 562926385 /nfs/dbraw/zinc/92/63/85/562926385.db2.gz FAJNVYNERQZVOQ-HSZRJFAPSA-N 0 0 426.607 5.416 50 30 IKEARN N#Cc1c(NC(=O)CSc2ncnc3sccc32)oc(-c2ccco2)c1-c1ccco1 ZINC000003305958 562934005 /nfs/dbraw/zinc/93/40/05/562934005.db2.gz ORWHTYLDPAUTTC-UHFFFAOYSA-N 0 0 448.485 5.407 50 30 aggregator IKEARN CCN(CC)c1ccc(/C=C2\CN(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000005446255 562943946 /nfs/dbraw/zinc/94/39/46/562943946.db2.gz CSZGWTIIEDCAOM-SIHVKLMXSA-N 0 0 431.624 5.361 50 30 IKEARN COc1cccc(C(=O)N[C@@H](C=Cc2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 ZINC000006427099 562946724 /nfs/dbraw/zinc/94/67/24/562946724.db2.gz MIDIVLDQHNVZLB-OTOIZHKDSA-N 0 0 444.918 6.362 50 30 IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC000008036049 562949079 /nfs/dbraw/zinc/94/90/79/562949079.db2.gz ICDMLAQPOAVWNH-HAAQQRBASA-N 0 0 431.661 6.449 50 30 in-vitro IKEARN Cc1cccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c2C#N)c1 ZINC000008590641 562951777 /nfs/dbraw/zinc/95/17/77/562951777.db2.gz VWEHKNIDNCDZOI-UHFFFAOYSA-N 0 0 435.552 6.327 50 30 IKEARN CCNc1c2ccccc2oc(=O)c1/N=C(\O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000008594556 562953046 /nfs/dbraw/zinc/95/30/46/562953046.db2.gz PFLIWBDMIAGMRO-UHFFFAOYSA-N 0 0 440.496 5.057 50 30 IKEARN CC[C@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Oc4ccccc4)cc3)cc2)=N1 ZINC000008687697 562963059 /nfs/dbraw/zinc/96/30/59/562963059.db2.gz QFFSNQJKVMTZBJ-KRWRZEAGSA-N 0 0 428.557 6.478 50 30 aggregator IKEARN O=C(Nc1ccc(F)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000008693946 562963635 /nfs/dbraw/zinc/96/36/35/562963635.db2.gz FHLVPAUKSIYTGV-UHFFFAOYSA-N 0 0 426.288 5.352 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O ZINC000019720099 563022844 /nfs/dbraw/zinc/02/28/44/563022844.db2.gz KCZZJOSFEXUPKS-LFVJCYFKSA-N 0 0 443.524 5.487 50 30 IKEARN O=C1/C(=C/c2ccccc2Br)CCC/C1=C\c1ccccc1Br ZINC000020115445 563023798 /nfs/dbraw/zinc/02/37/98/563023798.db2.gz IYUMKWYJTLIPIV-UNZYHPAISA-N 0 0 432.155 6.432 50 30 IKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1 ZINC000108450312 568625567 /nfs/dbraw/zinc/62/55/67/568625567.db2.gz PUGACACYWXKMSL-JOCHJYFZSA-N 0 0 434.532 6.282 50 30 biogenic IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(C)cc1 ZINC000000938156 568639213 /nfs/dbraw/zinc/63/92/13/568639213.db2.gz KIORACULFFHNFA-UHFFFAOYSA-N 0 0 432.471 5.189 50 30 IKEARN N#Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000025142324 568639985 /nfs/dbraw/zinc/63/99/85/568639985.db2.gz WGAVJVFXPCOSDK-UHFFFAOYSA-N 0 0 432.405 5.682 50 30 IKEARN C=CCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1 ZINC000025142883 568640171 /nfs/dbraw/zinc/64/01/71/568640171.db2.gz WBRCHYNDYCBPAB-UHFFFAOYSA-N 0 0 439.515 5.127 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C#N)cc2)c1-c1ccc(F)cc1 ZINC000025143032 568640442 /nfs/dbraw/zinc/64/04/42/568640442.db2.gz GMFHCJFOVATUOI-UHFFFAOYSA-N 0 0 441.506 6.208 50 30 IKEARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Br ZINC000000947378 568643499 /nfs/dbraw/zinc/64/34/99/568643499.db2.gz MAHBDAMBCSTTSA-ZCRIDZFUSA-N 0 0 431.355 5.168 50 30 IKEARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Br ZINC000000947380 568643601 /nfs/dbraw/zinc/64/36/01/568643601.db2.gz MAHBDAMBCSTTSA-FZKGZDJFSA-N 0 0 431.355 5.168 50 30 IKEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000211030343 568644553 /nfs/dbraw/zinc/64/45/53/568644553.db2.gz FDOYTZLMGCXOMF-PXNMLYILSA-N 0 0 434.333 5.917 50 30 IKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N ZINC000000976267 568647231 /nfs/dbraw/zinc/64/72/31/568647231.db2.gz RRKHXRMDMTYYCZ-UHFFFAOYSA-N 0 0 439.562 5.001 50 30 IKEARN CCSC(=S)[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000000977081 568648355 /nfs/dbraw/zinc/64/83/55/568648355.db2.gz KBXPELSZBPOEIC-RUZDIDTESA-N 0 0 441.581 5.485 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(Cl)cc1O ZINC000001004412 568651035 /nfs/dbraw/zinc/65/10/35/568651035.db2.gz CHTHNDWRFNFFMJ-UHFFFAOYSA-N 0 0 430.928 5.454 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000001025853 568653088 /nfs/dbraw/zinc/65/30/88/568653088.db2.gz MRAWDBYNPUTKHY-QFIPXVFZSA-N 0 0 447.874 5.160 50 30 IKEARN N#Cc1c(SCC(=O)NCCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000001028746 568653426 /nfs/dbraw/zinc/65/34/26/568653426.db2.gz UJQLLCMGMHCJAR-UHFFFAOYSA-N 0 0 447.507 5.152 50 30 IKEARN CSc1sc(C#N)c(C)c1-c1ccn(S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000001038032 568653681 /nfs/dbraw/zinc/65/36/81/568653681.db2.gz OKPRSJKIFQPCLI-UHFFFAOYSA-N 0 0 444.390 5.057 50 30 IKEARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)o1 ZINC000001054550 568653747 /nfs/dbraw/zinc/65/37/47/568653747.db2.gz OIPJDCSZNVUBDF-AFUMVMLFSA-N 0 0 426.432 6.130 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001057457 568654214 /nfs/dbraw/zinc/65/42/14/568654214.db2.gz TZXVUJFCIMGZSW-CYXNTTPDSA-N 0 0 449.485 5.119 50 30 IKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000001051413 568654694 /nfs/dbraw/zinc/65/46/94/568654694.db2.gz ZKEBHFAYESJZHP-UHFFFAOYSA-N 0 0 434.464 5.536 50 30 IKEARN Cc1cc(SCCOc2cccc(Br)c2)n2c3ccccc3nc2c1C#N ZINC000025390086 568656083 /nfs/dbraw/zinc/65/60/83/568656083.db2.gz YXXDXLRSZQBQBL-UHFFFAOYSA-N 0 0 438.350 5.601 50 30 IKEARN COc1cc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000001069565 568656523 /nfs/dbraw/zinc/65/65/23/568656523.db2.gz GQOFYBAAFMYZIF-XMMPIXPASA-N 0 0 428.488 5.042 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)n(Cc3ccc(F)cc3)c2-c2ccc(OC)cc2)cc1 ZINC000001075269 568656761 /nfs/dbraw/zinc/65/67/61/568656761.db2.gz ZTRPNADGQKSKRV-UHFFFAOYSA-N 0 0 427.479 5.481 50 30 IKEARN Cc1ccc(N2C(=O)C[C@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000001079542 568656904 /nfs/dbraw/zinc/65/69/04/568656904.db2.gz WDFVSFCLKSKLFR-GOSISDBHSA-N 0 0 428.359 6.466 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl ZINC000001079884 568656915 /nfs/dbraw/zinc/65/69/15/568656915.db2.gz UIMLJUMZFLLHIF-CYBMUJFWSA-N 0 0 436.758 5.692 50 30 IKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000001080679 568657255 /nfs/dbraw/zinc/65/72/55/568657255.db2.gz QNYKKNYGBJWNJR-DEOSSOPVSA-N 0 0 425.488 5.225 50 30 IKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000001080692 568657288 /nfs/dbraw/zinc/65/72/88/568657288.db2.gz SQLADVRSVCXJAH-DEOSSOPVSA-N 0 0 425.488 5.225 50 30 IKEARN CCOc1ccc(CC(Nc2ccccc2O)=C2C(=O)CC(C)(C)CC2=O)cc1OCC ZINC000001080647 568657301 /nfs/dbraw/zinc/65/73/01/568657301.db2.gz FRNZQINSSZUTOC-UHFFFAOYSA-N 0 0 437.536 5.057 50 30 IKEARN N#Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 ZINC000001108456 568657880 /nfs/dbraw/zinc/65/78/80/568657880.db2.gz YYFLJXOCXLAICC-UHFFFAOYSA-N 0 0 427.869 5.572 50 30 IKEARN CCc1c2c(nc(SCC(=O)c3cc4c(ccc5ccccc54)oc3=O)c1C#N)CCC2 ZINC000001089452 568658318 /nfs/dbraw/zinc/65/83/18/568658318.db2.gz HTMCNTGXYJYTCE-UHFFFAOYSA-N 0 0 440.524 5.239 50 30 IKEARN CS[C@H]1CCCC[C@@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000001145231 568661077 /nfs/dbraw/zinc/66/10/77/568661077.db2.gz JYUVZCUGGYUEOC-FUHWJXTLSA-N 0 0 444.569 5.829 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)n1 ZINC000034712487 568732665 /nfs/dbraw/zinc/73/26/65/568732665.db2.gz JCNAQYILLZPUKT-UHFFFAOYSA-N 0 0 448.466 5.332 50 30 IKEARN Cc1c(Cl)cccc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000082113531 568735989 /nfs/dbraw/zinc/73/59/89/568735989.db2.gz ULQCXTMFKAOTQN-UHFFFAOYSA-N 0 0 446.938 5.696 50 30 IKEARN Cc1c(C#N)c(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C(=O)OC(C)C ZINC000001200325 568736759 /nfs/dbraw/zinc/73/67/59/568736759.db2.gz NYMRXCRLUJKZNQ-UHFFFAOYSA-N 0 0 432.501 5.370 50 30 IKEARN C[C@@H]1CC/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000137115120 568738704 /nfs/dbraw/zinc/73/87/04/568738704.db2.gz QHSOFLQDNNTTDE-RYELTUQGSA-N 0 0 430.460 6.081 50 30 IKEARN C#CCCCCCCCCC(=O)O[C@@H]1OCCO[C@H]1OC(=O)CCCCCCCCC#C ZINC000006013655 568740021 /nfs/dbraw/zinc/74/00/21/568740021.db2.gz VIBSGKFRYYRQHJ-UIOOFZCWSA-N 0 0 448.600 5.280 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000001217703 568740770 /nfs/dbraw/zinc/74/07/70/568740770.db2.gz PIKWZUCRTCRENM-QYBDOPJKSA-N 0 0 441.487 5.583 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000001217701 568740834 /nfs/dbraw/zinc/74/08/34/568740834.db2.gz PIKWZUCRTCRENM-DWXRJYCRSA-N 0 0 441.487 5.583 50 30 IKEARN N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(I)cc3)cc2)cc1 ZINC000001225239 568741803 /nfs/dbraw/zinc/74/18/03/568741803.db2.gz FJNHNIGENKJYKG-UHFFFAOYSA-N 0 0 440.240 5.207 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC ZINC000002028944 568742349 /nfs/dbraw/zinc/74/23/49/568742349.db2.gz DHDNVEIAQQZEBC-QHCPKHFHSA-N 0 0 425.569 5.423 50 30 IKEARN COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1 ZINC000002100690 568742789 /nfs/dbraw/zinc/74/27/89/568742789.db2.gz CMKMKZRPKTWFRS-XZEABINHSA-N 0 0 442.467 5.233 50 30 biogenic IKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O ZINC000003206184 568742985 /nfs/dbraw/zinc/74/29/85/568742985.db2.gz LCIYFIZWHQTBJU-OQNHBUHUSA-N 0 0 444.512 5.429 50 30 IKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003627459 568751925 /nfs/dbraw/zinc/75/19/25/568751925.db2.gz KXNMAIAKSBGCKU-LHSJRXKWSA-N 0 0 435.014 5.765 50 30 IKEARN Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccc6ccccc6c5)nc4c3)o2)cc1 ZINC000003659575 568752832 /nfs/dbraw/zinc/75/28/32/568752832.db2.gz YYMOEWGKBALMLT-OCSSWDANSA-N 0 0 448.909 8.312 50 30 IKEARN Oc1ccccc1/C=N/c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 ZINC000003669046 568754081 /nfs/dbraw/zinc/75/40/81/568754081.db2.gz BNKCJKLWEPYFTA-BHGWPJFGSA-N 0 0 445.396 7.352 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc([N+](=O)[O-])ccc1O[C@H]2c1ccccc1 ZINC000003669377 568754093 /nfs/dbraw/zinc/75/40/93/568754093.db2.gz IFJGOADHVDIMSW-DEOSSOPVSA-N 0 0 446.547 6.407 50 30 IKEARN Oc1ccccc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000003668905 568754100 /nfs/dbraw/zinc/75/41/00/568754100.db2.gz JUQQJLPTVIOJRI-MZJWZYIUSA-N 0 0 444.556 7.337 50 30 IKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cc(C)cc(C)c2O)c1O ZINC000001230592 568758516 /nfs/dbraw/zinc/75/85/16/568758516.db2.gz WHZZZPKHFCEJMW-DNTJNYDQSA-N 0 0 443.135 5.389 50 30 IKEARN COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000004026939 568758739 /nfs/dbraw/zinc/75/87/39/568758739.db2.gz ODWKEQAUZHUXKA-MTVJJAAISA-N 0 0 425.569 5.510 50 30 biogenic IKEARN COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000004026940 568758754 /nfs/dbraw/zinc/75/87/54/568758754.db2.gz ODWKEQAUZHUXKA-NULVTVOTSA-N 0 0 425.569 5.510 50 30 biogenic IKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C1=O)cn2C ZINC000263584853 568758969 /nfs/dbraw/zinc/75/89/69/568758969.db2.gz BOVLCVNHEUDVOJ-ISXXMWLLSA-N 0 0 431.488 5.242 50 30 biogenic IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O ZINC000263586834 568759658 /nfs/dbraw/zinc/75/96/58/568759658.db2.gz YKCFBZLHKFKMBQ-SJJOQSKNSA-N 0 0 448.858 5.111 50 30 biogenic IKEARN Cc1cccc(C)c1NC(=O)CSc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N ZINC000004046255 568759700 /nfs/dbraw/zinc/75/97/00/568759700.db2.gz SCBHTYSAPSMJED-UHFFFAOYSA-N 0 0 429.589 6.265 50 30 IKEARN Cc1ccccc1-n1c2nc3ccccc3nc2c(C#N)c1NC(=O)/C=C/c1ccccc1 ZINC000001257193 568775175 /nfs/dbraw/zinc/77/51/75/568775175.db2.gz FOTKUPGUNLXXJI-FOCLMDBBSA-N 0 0 429.483 5.406 50 30 IKEARN COc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000263615696 568776152 /nfs/dbraw/zinc/77/61/52/568776152.db2.gz DRVLEDRKMBCOPK-UHFFFAOYSA-N 0 0 443.883 5.137 50 30 IKEARN COc1ccc(N=C(N2CCCCC2)[P@@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1 ZINC000263621578 568778435 /nfs/dbraw/zinc/77/84/35/568778435.db2.gz CVZBIJNKNBIRMM-HKBQPEDESA-N 0 0 448.592 5.966 50 30 IKEARN COc1cccc(Sc2nc(SC)nc(Sc3cccc(OC)c3)c2C#N)c1 ZINC000001324155 568779643 /nfs/dbraw/zinc/77/96/43/568779643.db2.gz YORCFPAFHJLEAQ-UHFFFAOYSA-N 0 0 427.576 5.390 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001322027 568780055 /nfs/dbraw/zinc/78/00/55/568780055.db2.gz ARHMTDYMJHVRLU-IBGZPJMESA-N 0 0 440.634 5.466 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001322026 568780079 /nfs/dbraw/zinc/78/00/79/568780079.db2.gz ARHMTDYMJHVRLU-LJQANCHMSA-N 0 0 440.634 5.466 50 30 IKEARN CCOc1ccc(CCNc2c(CC)c(C)c(C#N)c3nc4ccccc4n32)cc1OCC ZINC000032099704 568780680 /nfs/dbraw/zinc/78/06/80/568780680.db2.gz JOEATSBOLPDWPM-UHFFFAOYSA-N 0 0 442.563 5.682 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000012719938 568782846 /nfs/dbraw/zinc/78/28/46/568782846.db2.gz SDYMIDMUFXWPCF-DZYAFLRNSA-N 0 0 438.514 6.415 50 30 IKEARN CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000001382808 568784091 /nfs/dbraw/zinc/78/40/91/568784091.db2.gz VDZQPQYBDBIKTN-OAHLLOKOSA-N 0 0 427.850 5.050 50 30 IKEARN O/N=C/c1c(SCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12 ZINC000001384870 568784222 /nfs/dbraw/zinc/78/42/22/568784222.db2.gz JDSOAMCRBWVHSP-GEVRCRHISA-N 0 0 425.379 5.534 50 30 IKEARN N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000001388040 568784703 /nfs/dbraw/zinc/78/47/03/568784703.db2.gz VSHHPGRUNDJEHW-UHFFFAOYSA-N 0 0 433.842 6.029 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2cccc(C)c2)c1 ZINC000004184588 568787327 /nfs/dbraw/zinc/78/73/27/568787327.db2.gz XGMNICRXTLLZBN-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccccc1C ZINC000001416210 568790591 /nfs/dbraw/zinc/79/05/91/568790591.db2.gz ADNVSXDVQBDWNQ-PVCXERSVSA-N 0 0 448.375 5.448 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000016731117 568792502 /nfs/dbraw/zinc/79/25/02/568792502.db2.gz UTPRYMKBYHTWKB-FQEVSTJZSA-N 0 0 425.843 5.159 50 30 IKEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000016789672 568792781 /nfs/dbraw/zinc/79/27/81/568792781.db2.gz MHRQKVCTWPPXLV-LFVJCYFKSA-N 0 0 431.521 5.002 50 30 IKEARN C=CCOc1cc2c(cc1Br)n(Cc1ccccc1)c(C)c2C(=O)OCC ZINC000096558264 568792995 /nfs/dbraw/zinc/79/29/95/568792995.db2.gz VWEHWKIDZYTCPU-UHFFFAOYSA-N 0 0 428.326 5.502 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000001429660 568794562 /nfs/dbraw/zinc/79/45/62/568794562.db2.gz BRYSJWLHPYPQGP-SFHVURJKSA-N 0 0 448.563 5.801 50 30 IKEARN N#Cc1cc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c([N+](=O)[O-])cc1C#N ZINC000001430722 568794594 /nfs/dbraw/zinc/79/45/94/568794594.db2.gz YSVDLKRHSGXTAA-UHFFFAOYSA-N 0 0 427.203 5.625 50 30 IKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCC2 ZINC000001430161 568794702 /nfs/dbraw/zinc/79/47/02/568794702.db2.gz HGXDRSPJWKJWCL-SFHVURJKSA-N 0 0 434.536 5.555 50 30 IKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](c3ccccc3F)C3=C1CCCC3=O)CCCCC2 ZINC000001430168 568794724 /nfs/dbraw/zinc/79/47/24/568794724.db2.gz VZVPKTLQQRMNGH-QGZVFWFLSA-N 0 0 434.536 5.555 50 30 IKEARN CCc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 ZINC000001432338 568795277 /nfs/dbraw/zinc/79/52/77/568795277.db2.gz IJVGFXGSURVCEL-FQEVSTJZSA-N 0 0 444.600 5.979 50 30 IKEARN N#Cc1cccc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c32)CCC4)c1 ZINC000015643973 568800741 /nfs/dbraw/zinc/80/07/41/568800741.db2.gz OTBPONODVMGEPA-UHFFFAOYSA-N 0 0 428.542 5.455 50 30 IKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@H](C1CCCCC1)Cc1ccccc1-2 ZINC000004005643 568803725 /nfs/dbraw/zinc/80/37/25/568803725.db2.gz KWQLHHKEKMZWLM-DEOSSOPVSA-N 0 0 442.628 6.457 50 30 IKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc3c2CCCC3)cc1 ZINC000001439899 568804737 /nfs/dbraw/zinc/80/47/37/568804737.db2.gz PTNKFMXZDWPBIY-UHFFFAOYSA-N 0 0 443.572 5.547 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(CCC=C(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000008452652 568812931 /nfs/dbraw/zinc/81/29/31/568812931.db2.gz VFNQPQLDBNDLTA-DRMXPCRNSA-N 0 0 448.636 6.666 50 30 IKEARN C=CCn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000008444375 568812940 /nfs/dbraw/zinc/81/29/40/568812940.db2.gz IHDASOMSBJHJMY-UHFFFAOYSA-N 0 0 426.607 5.404 50 30 IKEARN C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000008439760 568813023 /nfs/dbraw/zinc/81/30/23/568813023.db2.gz FTNHMICXXGEOIF-UHFFFAOYSA-N 0 0 446.022 6.022 50 30 IKEARN C=CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000015733518 568815823 /nfs/dbraw/zinc/81/58/23/568815823.db2.gz MVQSRWDLEALRBD-IBGZPJMESA-N 0 0 425.488 5.390 50 30 IKEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000001445427 568816050 /nfs/dbraw/zinc/81/60/50/568816050.db2.gz SDLIEYULIJAVBE-ZNZIZOMTSA-N 0 0 431.539 5.982 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1 ZINC000001450581 568818075 /nfs/dbraw/zinc/81/80/75/568818075.db2.gz KKPOCSRADBIFPD-HXUWFJFHSA-N 0 0 430.485 5.235 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000009307931 568818419 /nfs/dbraw/zinc/81/84/19/568818419.db2.gz YLIZKMNLVRSJRH-UHFFFAOYSA-N 0 0 449.363 5.081 50 30 IKEARN C=CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(CC)cc1 ZINC000009427226 568818807 /nfs/dbraw/zinc/81/88/07/568818807.db2.gz IFMSQQHWHAJATI-QFIPXVFZSA-N 0 0 446.576 5.151 50 30 IKEARN FC(F)(F)c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000001453186 568819012 /nfs/dbraw/zinc/81/90/12/568819012.db2.gz MKTZMRFGFVBMNQ-MZJWZYIUSA-N 0 0 434.845 6.206 50 30 IKEARN C=CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1C ZINC000009427257 568819052 /nfs/dbraw/zinc/81/90/52/568819052.db2.gz GATRLGOAOSOWQI-JOCHJYFZSA-N 0 0 446.576 5.205 50 30 IKEARN O=C(OCC#CCSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000009546467 568819204 /nfs/dbraw/zinc/81/92/04/568819204.db2.gz QJWUXPBUGSWROC-UHFFFAOYSA-N 0 0 446.959 5.691 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccccc3)c2C1 ZINC000006075241 568820593 /nfs/dbraw/zinc/82/05/93/568820593.db2.gz MHNQMMPRWOGUCP-HXUWFJFHSA-N 0 0 447.047 7.717 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(F)cc1 ZINC000006077222 568821228 /nfs/dbraw/zinc/82/12/28/568821228.db2.gz XAYYHUCDEMJUOB-AREMUKBSSA-N 0 0 440.518 6.279 50 30 IKEARN C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccccc1Cl ZINC000013734395 568824130 /nfs/dbraw/zinc/82/41/30/568824130.db2.gz NZFZCDRKSHXHKB-QHCPKHFHSA-N 0 0 440.996 6.848 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OC[C@@H](C)COc2ccccc2)SC1=S ZINC000013896354 568824307 /nfs/dbraw/zinc/82/43/07/568824307.db2.gz JQZSDQWCPXHKOE-XESZTULISA-N 0 0 425.575 5.168 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OCC)c2)SC1=S ZINC000013940850 568824534 /nfs/dbraw/zinc/82/45/34/568824534.db2.gz YAHOOWRCMBPIFH-KGENOOAVSA-N 0 0 425.575 5.360 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OC[C@H](C)COc2ccccc2)SC1=S ZINC000013896357 568824568 /nfs/dbraw/zinc/82/45/68/568824568.db2.gz JQZSDQWCPXHKOE-RHTHQAGFSA-N 0 0 425.575 5.168 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cccc(OCCOc3cc(C)cc(C)c3)c2)SC1=S ZINC000015800607 568828634 /nfs/dbraw/zinc/82/86/34/568828634.db2.gz WKRDWXRLUCRAGL-QNGOZBTKSA-N 0 0 425.575 5.148 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S ZINC000015799920 568828690 /nfs/dbraw/zinc/82/86/90/568828690.db2.gz SPXVCTXEEQGIGY-ODLFYWEKSA-N 0 0 439.631 5.293 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)SC1=S ZINC000016156260 568829220 /nfs/dbraw/zinc/82/92/20/568829220.db2.gz XNPVROXEFOOPBC-UNOMPAQXSA-N 0 0 431.966 5.315 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O ZINC000016156183 568829327 /nfs/dbraw/zinc/82/93/27/568829327.db2.gz POQHQOCAQWRJPI-RQZCQDPDSA-N 0 0 449.757 5.180 50 30 IKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 ZINC000016729078 568830129 /nfs/dbraw/zinc/83/01/29/568830129.db2.gz IMLOWOKQMLZYCG-UHFFFAOYSA-N 0 0 444.453 6.635 50 30 IKEARN C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1ccccc1C ZINC000000672739 568831996 /nfs/dbraw/zinc/83/19/96/568831996.db2.gz GTIVQOBKOZMFKH-UHFFFAOYSA-N 0 0 444.560 5.236 50 30 IKEARN COc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000001501548 568832225 /nfs/dbraw/zinc/83/22/25/568832225.db2.gz WVQJMFMWWIUDDV-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 biogenic IKEARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000001501755 568832247 /nfs/dbraw/zinc/83/22/47/568832247.db2.gz XQIHDESFCGYBEX-OCSSWDANSA-N 0 0 442.474 6.250 50 30 IKEARN C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000000707048 568832262 /nfs/dbraw/zinc/83/22/62/568832262.db2.gz YCAJRUDURSMIJA-UHFFFAOYSA-N 0 0 439.562 5.217 50 30 IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 ZINC000000986179 568832556 /nfs/dbraw/zinc/83/25/56/568832556.db2.gz PXSCLSQDJPNZKS-GOSISDBHSA-N 0 0 426.607 5.521 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1cccs1)-c1ccccc1CC21CCCC1 ZINC000001077779 568832726 /nfs/dbraw/zinc/83/27/26/568832726.db2.gz LZMOFHVYLXNYCI-UHFFFAOYSA-N 0 0 448.613 5.501 50 30 biogenic IKEARN C=CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000001146084 568833099 /nfs/dbraw/zinc/83/30/99/568833099.db2.gz FSECSJONKAOSII-PDGQHHTCSA-N 0 0 430.323 5.250 50 30 IKEARN C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccccc3Cl)c2c1=O ZINC000001132917 568833240 /nfs/dbraw/zinc/83/32/40/568833240.db2.gz PMSIRPNCVGSBLE-UHFFFAOYSA-N 0 0 443.981 5.862 50 30 IKEARN C=CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001791911 568834139 /nfs/dbraw/zinc/83/41/39/568834139.db2.gz SDPWLQQQGILKIE-UHFFFAOYSA-N 0 0 428.601 5.799 50 30 biogenic IKEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)[C@H](C)CCC3 ZINC000001833405 568834302 /nfs/dbraw/zinc/83/43/02/568834302.db2.gz NPBOWTNVEQIBAF-OAHLLOKOSA-N 0 0 436.606 5.511 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000001889305 568834330 /nfs/dbraw/zinc/83/43/30/568834330.db2.gz HPVSQFHBJZHINM-UHFFFAOYSA-N 0 0 432.998 5.441 50 30 IKEARN C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001826472 568834333 /nfs/dbraw/zinc/83/43/33/568834333.db2.gz BDOFOSZSFUNVLS-UHFFFAOYSA-N 0 0 442.628 6.537 50 30 biogenic IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)c3ccccc31)Nc1ccccc1-2 ZINC000002073656 568834350 /nfs/dbraw/zinc/83/43/50/568834350.db2.gz KTYFTAHHIRPSFF-JOCHJYFZSA-N 0 0 428.517 5.482 50 30 IKEARN C=CCn1c(SCc2ccc3c(c2)OCO3)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001801660 568834361 /nfs/dbraw/zinc/83/43/61/568834361.db2.gz WSHUQAIRIFOBMG-UHFFFAOYSA-N 0 0 448.569 5.640 50 30 IKEARN C=CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001900297 568834378 /nfs/dbraw/zinc/83/43/78/568834378.db2.gz BJSLVYNYMDTWSQ-UHFFFAOYSA-N 0 0 434.649 6.527 50 30 biogenic IKEARN C#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002060631 568834489 /nfs/dbraw/zinc/83/44/89/568834489.db2.gz RIBHGCNTMRIMTN-UHFFFAOYSA-N 0 0 440.612 5.636 50 30 biogenic IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(O)c(OCC)c1)Nc1ccccc1-2 ZINC000002073645 568834494 /nfs/dbraw/zinc/83/44/94/568834494.db2.gz OXSLXYDRHPUFRX-IBGZPJMESA-N 0 0 442.928 5.078 50 30 IKEARN C#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060677 568834537 /nfs/dbraw/zinc/83/45/37/568834537.db2.gz RKTQAEYXBXWLHU-UHFFFAOYSA-N 0 0 426.585 5.246 50 30 biogenic IKEARN C=CCOc1c(Cl)cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002059404 568834551 /nfs/dbraw/zinc/83/45/51/568834551.db2.gz VEOFHEQIAKDPSC-STZFKDTASA-N 0 0 433.891 5.801 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000002165138 568834684 /nfs/dbraw/zinc/83/46/84/568834684.db2.gz GDWZBCGLGZEQML-YBEGLDIGSA-N 0 0 438.719 5.900 50 30 IKEARN C=CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002117645 568834721 /nfs/dbraw/zinc/83/47/21/568834721.db2.gz ABORCRGVRMHYFP-UHFFFAOYSA-N 0 0 430.573 5.554 50 30 biogenic IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCCC3 ZINC000002233729 568834865 /nfs/dbraw/zinc/83/48/65/568834865.db2.gz CGKQLRYTNRKXKU-UHFFFAOYSA-N 0 0 447.423 5.757 50 30 IKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C ZINC000002326708 568835051 /nfs/dbraw/zinc/83/50/51/568835051.db2.gz DOFNJJKQQPLEQV-UHFFFAOYSA-N 0 0 426.611 5.145 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(F)cc1 ZINC000002362462 568835220 /nfs/dbraw/zinc/83/52/20/568835220.db2.gz KKXQRMGNIGWSQH-UHFFFAOYSA-N 0 0 430.936 5.271 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000002446222 568835710 /nfs/dbraw/zinc/83/57/10/568835710.db2.gz VUBZQBOKFPKKCD-GOSISDBHSA-N 0 0 436.581 5.287 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC ZINC000002452994 568835801 /nfs/dbraw/zinc/83/58/01/568835801.db2.gz GGEXEBLUSMERTJ-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1cccc(OC)c1 ZINC000002452433 568835983 /nfs/dbraw/zinc/83/59/83/568835983.db2.gz VNJFRBRIGISRRW-QGZVFWFLSA-N 0 0 436.581 5.384 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002448277 568835991 /nfs/dbraw/zinc/83/59/91/568835991.db2.gz LMMGFKVLNSWBSH-UHFFFAOYSA-N 0 0 449.363 5.081 50 30 IKEARN Cc1cc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)s1 ZINC000018158895 568838384 /nfs/dbraw/zinc/83/83/84/568838384.db2.gz MTCXQSFIPHYFDJ-JOCHJYFZSA-N 0 0 435.593 5.311 50 30 IKEARN N#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)c2ccccc2Cl)cc1 ZINC000001514820 568839417 /nfs/dbraw/zinc/83/94/17/568839417.db2.gz XXEMHPXHHSNSIJ-UHFFFAOYSA-N 0 0 439.696 5.457 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1ccco1 ZINC000015826243 568840685 /nfs/dbraw/zinc/84/06/85/568840685.db2.gz GIPNFANJLQXWMG-XMMPIXPASA-N 0 0 427.504 6.128 50 30 IKEARN C=C[C@H](COCSC)C[C@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 ZINC000043762861 568843158 /nfs/dbraw/zinc/84/31/58/568843158.db2.gz QRKKLUUKPHEPNI-HTCDDSELSA-N 0 0 436.658 5.855 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1OC ZINC000100971077 568843524 /nfs/dbraw/zinc/84/35/24/568843524.db2.gz WZPPWKXTPOEURF-UHFFFAOYSA-N 0 0 448.692 8.087 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)N(CC)c1ccccc1C ZINC000100970147 568843551 /nfs/dbraw/zinc/84/35/51/568843551.db2.gz HAWDERCUHIIMAR-UHFFFAOYSA-N 0 0 430.721 8.792 50 30 IKEARN CCCCCCCCCCCCCCCCN1S(=O)(=O)c2ccccc2S1(=O)=O ZINC000101017424 568843552 /nfs/dbraw/zinc/84/35/52/568843552.db2.gz AGQGRGZESITICE-UHFFFAOYSA-N 0 0 443.675 5.861 50 30 IKEARN O=C1CCCC(=O)C1[C@@H](Sc1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000101082264 568843655 /nfs/dbraw/zinc/84/36/55/568843655.db2.gz UXFUODISDMCESE-RGTVUHFVSA-N 0 0 438.592 7.010 50 30 IKEARN CCCCCCCCCCCCCCCCC1C(=O)CCCCCCCCCCCC1=O ZINC000101020888 568843661 /nfs/dbraw/zinc/84/36/61/568843661.db2.gz AGHBODRJGSWKSS-UHFFFAOYSA-N 0 0 448.776 9.917 50 30 IKEARN C=CCn1c2cc(-c3ccc([N+](=O)[O-])cc3)c(O)cc2c(C(=O)OCC)c1-c1ccccc1 ZINC000006144385 568846073 /nfs/dbraw/zinc/84/60/73/568846073.db2.gz QQRIFUSOVJFNOD-UHFFFAOYSA-N 0 0 442.471 5.952 50 30 IKEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3c(Cl)ccc(Cl)c3Cl)n2)cc1 ZINC000006148925 568846743 /nfs/dbraw/zinc/84/67/43/568846743.db2.gz IGIBFGNPVNUODV-SCDVKCJHSA-N 0 0 427.700 6.125 50 30 IKEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3c(Cl)ccc(Cl)c3Cl)n2)c1 ZINC000006148490 568846790 /nfs/dbraw/zinc/84/67/90/568846790.db2.gz RTGZEBQEBUTHQQ-SCDVKCJHSA-N 0 0 427.700 6.125 50 30 IKEARN C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000017095676 568851126 /nfs/dbraw/zinc/85/11/26/568851126.db2.gz HZBVHBGKSMFTNF-QGZVFWFLSA-N 0 0 428.001 6.673 50 30 IKEARN CC(C)OC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000019638813 568854979 /nfs/dbraw/zinc/85/49/79/568854979.db2.gz CSPAKWLFOPDOMO-NRFANRHFSA-N 0 0 443.568 5.576 50 30 IKEARN C=CCOc1c(Br)cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000020035507 568855506 /nfs/dbraw/zinc/85/55/06/568855506.db2.gz VGFZCNUHRWWHKC-YBEGLDIGSA-N 0 0 443.293 5.012 50 30 IKEARN C=CCSc1nc2sc3c(c2c(SCC=C)n1)CCN(Cc1ccccc1)C3 ZINC000020033406 568855674 /nfs/dbraw/zinc/85/56/74/568855674.db2.gz GKPTVTXANHXVRI-UHFFFAOYSA-N 0 0 425.648 5.806 50 30 IKEARN C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC ZINC000023402567 568859660 /nfs/dbraw/zinc/85/96/60/568859660.db2.gz VYHOZHZBCVVZES-BOPFTXTBSA-N 0 0 429.303 5.210 50 30 IKEARN O=C(/C=C/c1ccccc1OC(=O)CCCSc1ccccc1)c1cc2ccccc2o1 ZINC000015981345 568861894 /nfs/dbraw/zinc/86/18/94/568861894.db2.gz YIVXHAMGCGZPCD-WUKNDPDISA-N 0 0 442.536 6.807 50 30 IKEARN C=CCN1N=C(NC(=O)c2cccc(Br)c2)SC=C1c1ccc(Cl)cc1 ZINC000025575644 568862083 /nfs/dbraw/zinc/86/20/83/568862083.db2.gz CMPZTIUXXFTVLA-UHFFFAOYSA-N 0 0 448.773 5.337 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1cccc(Cl)c1 ZINC000027016201 568862917 /nfs/dbraw/zinc/86/29/17/568862917.db2.gz UNWZYZCMNZICAU-BZZOAKBMSA-N 0 0 435.936 6.134 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000027017957 568862960 /nfs/dbraw/zinc/86/29/60/568862960.db2.gz BBABVYNQFCBUHX-UYRXBGFRSA-N 0 0 437.977 5.580 50 30 IKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)s/c1=N\c1cccc(C(F)(F)F)c1 ZINC000027015912 568863004 /nfs/dbraw/zinc/86/30/04/568863004.db2.gz YNXRBQWWIBAVSY-QYQHSDTDSA-N 0 0 445.510 6.311 50 30 IKEARN C=CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000027489098 568863834 /nfs/dbraw/zinc/86/38/34/568863834.db2.gz KYCLETROIHSORM-DEOSSOPVSA-N 0 0 443.344 6.329 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000016034450 568867573 /nfs/dbraw/zinc/86/75/73/568867573.db2.gz YMCXLLPIHSKVQS-SONWIMMPSA-N 0 0 437.524 5.167 50 30 IKEARN C=CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1Cl ZINC000006181445 568868173 /nfs/dbraw/zinc/86/81/73/568868173.db2.gz PYYWMXCRXGFFHR-UHFFFAOYSA-N 0 0 448.975 6.030 50 30 IKEARN Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 ZINC000016048041 568869403 /nfs/dbraw/zinc/86/94/03/568869403.db2.gz PSKKVIHYKBMMJI-UHFFFAOYSA-N 0 0 433.602 5.217 50 30 IKEARN CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3O)nc2c1 ZINC000016162184 568871931 /nfs/dbraw/zinc/87/19/31/568871931.db2.gz WYCAJGGUYHLPFJ-DWOGBDTMSA-N 0 0 447.332 6.941 50 30 IKEARN O=P(N=C(Nc1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000006190010 568874568 /nfs/dbraw/zinc/87/45/68/568874568.db2.gz PVKMIJRWLNIQDY-UHFFFAOYSA-N 0 0 428.428 6.811 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1 ZINC000016400032 568887928 /nfs/dbraw/zinc/88/79/28/568887928.db2.gz KEJRJGNMQKDEMN-UHFFFAOYSA-N 0 0 447.869 6.023 50 30 IKEARN O=C(C=c1nc2c([nH]c1=O)=CC(Br)=CN2)c1ccc(C2CCCCC2)cc1 ZINC000016401260 568888038 /nfs/dbraw/zinc/88/80/38/568888038.db2.gz JMNDCOXBLMQSMC-WQRHYEAKSA-N 0 0 426.314 5.023 50 30 IKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000015980428 568894120 /nfs/dbraw/zinc/89/41/20/568894120.db2.gz UFWKFGZGDNADRV-XYOKQWHBSA-N 0 0 441.455 6.552 50 30 IKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 ZINC000015978815 568894122 /nfs/dbraw/zinc/89/41/22/568894122.db2.gz LZMHAEJBDAGNDI-VIZOYTHASA-N 0 0 431.557 7.248 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 ZINC000015979672 568894141 /nfs/dbraw/zinc/89/41/41/568894141.db2.gz UWBCCRXZFIETDF-PJQLUOCWSA-N 0 0 431.488 6.589 50 30 IKEARN COc1cccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000033410715 568896167 /nfs/dbraw/zinc/89/61/67/568896167.db2.gz AIQWHIYOLDHKFR-MQDDAKQZSA-N 0 0 425.528 5.256 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C ZINC000006444576 568907306 /nfs/dbraw/zinc/90/73/06/568907306.db2.gz PTHVLYUCAXUJBI-XMMPIXPASA-N 0 0 430.548 5.246 50 30 IKEARN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000001793192 568908110 /nfs/dbraw/zinc/90/81/10/568908110.db2.gz IGBNYMXRBBOXEL-KHUIZHDGSA-N 0 0 435.936 5.505 50 30 IKEARN Cc1ccc(N=C(NN=Cc2c(O)ccc3ccccc32)c2nc3ccccc3s2)cc1 ZINC000001805417 568908743 /nfs/dbraw/zinc/90/87/43/568908743.db2.gz QJDTVBPFRKOORW-JVWAILMASA-N 0 0 436.540 6.356 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001819502 568915642 /nfs/dbraw/zinc/91/56/42/568915642.db2.gz UPVBFCSWUQIMLY-SFQUDFHCSA-N 0 0 432.364 5.420 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001819503 568915726 /nfs/dbraw/zinc/91/57/26/568915726.db2.gz UPVBFCSWUQIMLY-ATVHPVEESA-N 0 0 432.364 5.420 50 30 IKEARN O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\c1c(Cl)cccc1Cl ZINC000001838147 568916315 /nfs/dbraw/zinc/91/63/15/568916315.db2.gz RNBZAPQPSJVPLL-NHDPSOOVSA-N 0 0 442.254 6.097 50 30 IKEARN O=C(Nc1ccc(/N=C/c2ccccc2)cc1Cl)c1ccc(/N=C/c2ccccc2)cc1 ZINC000001881560 568917424 /nfs/dbraw/zinc/91/74/24/568917424.db2.gz YKQJZKLMIZYPDD-ZZASANORSA-N 0 0 437.930 7.094 50 30 IKEARN Clc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1 ZINC000001882752 568917523 /nfs/dbraw/zinc/91/75/23/568917523.db2.gz DQWUVRSLXTWWPP-STBIYBPSSA-N 0 0 438.914 7.478 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000006462292 568918583 /nfs/dbraw/zinc/91/85/83/568918583.db2.gz UNCNVXBRFJEQID-JAYSCUBMSA-N 0 0 437.569 5.977 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1 ZINC000006474284 568919849 /nfs/dbraw/zinc/91/98/49/568919849.db2.gz ZYASSPMDJXLOMP-UHFFFAOYSA-N 0 0 427.573 5.828 50 30 IKEARN C=CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(CC)cc1)c2=O ZINC000001913198 568922422 /nfs/dbraw/zinc/92/24/22/568922422.db2.gz UDPKFDDYRJMDMN-UHFFFAOYSA-N 0 0 434.366 5.868 50 30 IKEARN COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cc2ccccc2)ccc1O ZINC000001947837 568923671 /nfs/dbraw/zinc/92/36/71/568923671.db2.gz LADAJKMWVDLHAE-RDRPBHBLSA-N 0 0 434.495 6.550 50 30 IKEARN COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1Cl ZINC000001947850 568923715 /nfs/dbraw/zinc/92/37/15/568923715.db2.gz GRIQPVYRLFLXAL-ZMOGYAJESA-N 0 0 430.729 6.158 50 30 IKEARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000001952140 568923764 /nfs/dbraw/zinc/92/37/64/568923764.db2.gz KJUFOAQBWVFGPE-CGIFWJFOSA-N 0 0 448.276 6.581 50 30 IKEARN C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@H]1O ZINC000085210683 568929159 /nfs/dbraw/zinc/92/91/59/568929159.db2.gz ZGLHBRQAEXKACO-JGIJXFTMSA-N 0 0 428.657 5.727 50 30 IKEARN CC(C)c1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1 ZINC000064473834 568930492 /nfs/dbraw/zinc/93/04/92/568930492.db2.gz AJPLWUXNTMWJFH-UHFFFAOYSA-N 0 0 432.955 5.738 50 30 IKEARN CC(C)c1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1 ZINC000064473831 568930506 /nfs/dbraw/zinc/93/05/06/568930506.db2.gz CVCJVDCKRLVVOA-UHFFFAOYSA-N 0 0 432.955 5.738 50 30 IKEARN Cc1ccc(C(=O)Oc2ccccc2/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000027023690 568939255 /nfs/dbraw/zinc/93/92/55/568939255.db2.gz CTBHDLPTEGKULP-WPWMEQJKSA-N 0 0 425.440 5.777 50 30 IKEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1)c1ccccc1F ZINC000004360387 568939823 /nfs/dbraw/zinc/93/98/23/568939823.db2.gz VORLZEVMSXWTMV-ZMOGYAJESA-N 0 0 427.888 5.019 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CCCC2)cc1 ZINC000064979821 569078279 /nfs/dbraw/zinc/07/82/79/569078279.db2.gz GWNRCHPPASJNJX-UHFFFAOYSA-N 0 0 439.540 5.865 50 30 IKEARN N#Cc1cccc(CSc2nc(Oc3ccc(F)cc3F)cc(-c3ccccc3)n2)c1 ZINC000036349468 569081682 /nfs/dbraw/zinc/08/16/82/569081682.db2.gz NXHVZHJHDDMRER-UHFFFAOYSA-N 0 0 431.467 6.378 50 30 IKEARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000065114713 569106547 /nfs/dbraw/zinc/10/65/47/569106547.db2.gz DNCQJXBRGFJBCE-UHFFFAOYSA-N 0 0 447.491 5.112 50 30 IKEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1 ZINC000238882230 569137643 /nfs/dbraw/zinc/13/76/43/569137643.db2.gz CUSNQPJPCUMNGJ-VIZSFHNOSA-N 0 0 434.490 5.345 50 30 IKEARN CCCCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCCCCC1 ZINC000588015851 569140052 /nfs/dbraw/zinc/14/00/52/569140052.db2.gz QDXIBALUAZJIQH-UHFFFAOYSA-N 0 0 426.586 5.197 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3cccc(C#N)c3)n2)cc1 ZINC000170623832 569148426 /nfs/dbraw/zinc/14/84/26/569148426.db2.gz GYMVKXGQVGVMKK-UHFFFAOYSA-N 0 0 425.435 5.812 50 30 IKEARN N#Cc1ccc(-c2ccccc2)nc1SCCC(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000013579564 569156303 /nfs/dbraw/zinc/15/63/03/569156303.db2.gz CWZKGBRQPSIOIQ-UHFFFAOYSA-N 0 0 436.920 5.182 50 30 IKEARN CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 ZINC000016729023 569160535 /nfs/dbraw/zinc/16/05/35/569160535.db2.gz SKPYGJXBONQAQJ-UHFFFAOYSA-N 0 0 428.479 6.639 50 30 IKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 ZINC000016728825 569160551 /nfs/dbraw/zinc/16/05/51/569160551.db2.gz VIGGYLSUQFIPKA-UHFFFAOYSA-N 0 0 446.469 6.859 50 30 IKEARN COc1ccc(/C=C/c2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1OC ZINC000016768438 569161357 /nfs/dbraw/zinc/16/13/57/569161357.db2.gz YYASXHGWZBRWBC-PKNBQFBNSA-N 0 0 429.520 5.193 50 30 IKEARN Cc1ccccc1C(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl ZINC000002071611 569162139 /nfs/dbraw/zinc/16/21/39/569162139.db2.gz MJLKQVLUJLZLEN-GOSISDBHSA-N 0 0 442.799 5.345 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1Cl ZINC000016805406 569162151 /nfs/dbraw/zinc/16/21/51/569162151.db2.gz CGFDRFPRPCOMSH-UHFFFAOYSA-N 0 0 439.289 7.238 50 30 IKEARN N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1 ZINC000016838748 569162657 /nfs/dbraw/zinc/16/26/57/569162657.db2.gz QTJIEAXOJBMMIP-UHFFFAOYSA-N 0 0 449.333 5.172 50 30 IKEARN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000017097323 569172481 /nfs/dbraw/zinc/17/24/81/569172481.db2.gz MCSNZOBIVIMKIB-CABCVRRESA-N 0 0 431.001 6.139 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017100042 569173294 /nfs/dbraw/zinc/17/32/94/569173294.db2.gz POKKOXYKBYYTQJ-LBPRGKRZSA-N 0 0 436.408 7.112 50 30 IKEARN Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)c1 ZINC000002082202 569177182 /nfs/dbraw/zinc/17/71/82/569177182.db2.gz JYQLWEQFKRWXBZ-KRWDZBQOSA-N 0 0 437.568 6.521 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)sc2C1 ZINC000002081517 569177226 /nfs/dbraw/zinc/17/72/26/569177226.db2.gz AEUQPGDABIMYAX-FWVUHSSSSA-N 0 0 438.593 5.830 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1C#N ZINC000002081476 569177291 /nfs/dbraw/zinc/17/72/91/569177291.db2.gz RWERBGSYZDPZHW-UHFFFAOYSA-N 0 0 437.977 6.673 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1OC ZINC000002098185 569179436 /nfs/dbraw/zinc/17/94/36/569179436.db2.gz BKKUNXIMIZBHFR-UUYOSTAYSA-N 0 0 436.847 5.193 50 30 biogenic IKEARN CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000002108643 569179693 /nfs/dbraw/zinc/17/96/93/569179693.db2.gz BNXWLICBLHZQHT-UHFFFAOYSA-N 0 0 436.027 5.391 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c(OC)c1 ZINC000002103883 569180053 /nfs/dbraw/zinc/18/00/53/569180053.db2.gz LUROYPXYWUIEBX-JJFYIABZSA-N 0 0 436.847 5.193 50 30 biogenic IKEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000102301841 569181749 /nfs/dbraw/zinc/18/17/49/569181749.db2.gz VTVZBJAINPBAPU-ANHCSCTASA-N 0 0 449.963 5.663 50 30 IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl ZINC000252430791 569183452 /nfs/dbraw/zinc/18/34/52/569183452.db2.gz KAZZDRRNZVOQBJ-QQCNCCSXSA-N 0 0 441.402 7.030 50 30 IKEARN COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000002127519 569184164 /nfs/dbraw/zinc/18/41/64/569184164.db2.gz RTEUYVDLVWAUKU-IOFNULOHSA-N 0 0 426.468 5.598 50 30 biogenic IKEARN N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCc1sccc1-2 ZINC000002150639 569187305 /nfs/dbraw/zinc/18/73/05/569187305.db2.gz FIXGDQANLRRFDP-UHFFFAOYSA-N 0 0 445.012 7.393 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3Cl)sc2C1 ZINC000002158551 569187316 /nfs/dbraw/zinc/18/73/16/569187316.db2.gz VPCGIDJRNCSMPJ-ZDUSSCGKSA-N 0 0 446.041 5.941 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 ZINC000002163513 569188852 /nfs/dbraw/zinc/18/88/52/569188852.db2.gz MWZUIROGVOFBTI-GFCCVEGCSA-N 0 0 437.392 6.095 50 30 IKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)c1 ZINC000002160999 569189038 /nfs/dbraw/zinc/18/90/38/569189038.db2.gz BWWIYKOHPQCDQA-OOHHOYHOSA-N 0 0 440.451 5.238 50 30 biogenic IKEARN Cc1cccc(C)c1N=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000252590207 569191737 /nfs/dbraw/zinc/19/17/37/569191737.db2.gz ARBUPTTYLSOIQS-AQAUNXFGSA-N 0 0 429.501 6.020 50 30 IKEARN CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1ccc2sc(C)nc2c1 ZINC000252589391 569191739 /nfs/dbraw/zinc/19/17/39/569191739.db2.gz AKHOKHGINBMDAY-OIHKMWOHSA-N 0 0 446.601 5.952 50 30 IKEARN C=CCn1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000252590556 569191773 /nfs/dbraw/zinc/19/17/73/569191773.db2.gz ATHHIMMRTKFDOV-OFGWUVNBSA-N 0 0 435.552 6.636 50 30 IKEARN Cc1cccc(C)c1N=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000252590208 569191787 /nfs/dbraw/zinc/19/17/87/569191787.db2.gz ARBUPTTYLSOIQS-QGJBXVFPSA-N 0 0 429.501 6.020 50 30 IKEARN O=[N+]([O-])c1ccccc1-c1ccc(C=Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1 ZINC000252591408 569192498 /nfs/dbraw/zinc/19/24/98/569192498.db2.gz BBGRMMLGMSPOBT-UHFFFAOYSA-N 0 0 443.846 7.067 50 30 IKEARN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000252593204 569192777 /nfs/dbraw/zinc/19/27/77/569192777.db2.gz BJKOPLOZQDQIOT-VWLOTQADSA-N 0 0 440.568 5.975 50 30 IKEARN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000252593152 569192804 /nfs/dbraw/zinc/19/28/04/569192804.db2.gz BJKOPLOZQDQIOT-RUZDIDTESA-N 0 0 440.568 5.975 50 30 IKEARN COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O ZINC000252596789 569193272 /nfs/dbraw/zinc/19/32/72/569193272.db2.gz CMKSGDKULPPFME-ZQXLJOGCSA-N 0 0 430.529 5.826 50 30 IKEARN C=CCNC(=S)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000002206170 569193402 /nfs/dbraw/zinc/19/34/02/569193402.db2.gz RPVAOZZIWBGLPM-UHFFFAOYSA-N 0 0 425.601 6.171 50 30 IKEARN C[C@@H](NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccccc1 ZINC000252597736 569193406 /nfs/dbraw/zinc/19/34/06/569193406.db2.gz CUNJYZJOJJYKJT-MRXNPFEDSA-N 0 0 449.576 6.156 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2ccccc2F)C(=O)N1c1ccccc1CC ZINC000252603481 569194201 /nfs/dbraw/zinc/19/42/01/569194201.db2.gz FSAUDCMJXZUFGS-KISRHMMLSA-N 0 0 430.548 6.759 50 30 IKEARN Cc1ccccc1N=C1S/C(=C\c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C ZINC000252605666 569194357 /nfs/dbraw/zinc/19/43/57/569194357.db2.gz GLNJMEZRLIUPJR-XQVDRLQHSA-N 0 0 432.501 5.229 50 30 IKEARN O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn32)c(Cl)cc1Cl ZINC000252605853 569194409 /nfs/dbraw/zinc/19/44/09/569194409.db2.gz GNMIPJKISWRCRN-UHFFFAOYSA-N 0 0 435.654 6.213 50 30 IKEARN CCOc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000252604384 569194413 /nfs/dbraw/zinc/19/44/13/569194413.db2.gz FZFSZHXVPDKCMF-PMERELPUSA-N 0 0 445.566 7.192 50 30 IKEARN COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000252607005 569194516 /nfs/dbraw/zinc/19/45/16/569194516.db2.gz GXMBUPUSJQJUTO-ZYITZIQLSA-N 0 0 430.529 5.508 50 30 IKEARN CCOc1ccc(Cl)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000252608303 569195192 /nfs/dbraw/zinc/19/51/92/569195192.db2.gz HIJAXYPXZLERBN-UHFFFAOYSA-N 0 0 445.028 6.492 50 30 IKEARN Oc1cc(O)c(C=Nc2ccc3sc(-c4ccccc4)nc3c2)cc1Br ZINC000252608335 569195232 /nfs/dbraw/zinc/19/52/32/569195232.db2.gz HJILGPZMXYAJAD-UHFFFAOYSA-N 0 0 425.307 5.888 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2CC(C)C)cc1 ZINC000252608826 569195368 /nfs/dbraw/zinc/19/53/68/569195368.db2.gz HNSQPHVTLBICIO-NIHZCWFLSA-N 0 0 435.343 5.311 50 30 IKEARN COc1ccc(C=Nc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1 ZINC000252610349 569195502 /nfs/dbraw/zinc/19/55/02/569195502.db2.gz IAVIUQBSFAIHJI-UHFFFAOYSA-N 0 0 448.953 7.981 50 30 IKEARN O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=Nc2ccccc2)N1C1CC1 ZINC000252611348 569197301 /nfs/dbraw/zinc/19/73/01/569197301.db2.gz IJCKTLPHKMQYDC-TVZAGCQJSA-N 0 0 438.350 5.697 50 30 IKEARN CCCCCCCCCCCCCCc1ccc(N=Nc2ccc(N)c3ccccc23)cc1 ZINC000252615307 569197500 /nfs/dbraw/zinc/19/75/00/569197500.db2.gz JQZMFOKYTVTCEW-UHFFFAOYSA-N 0 0 443.679 10.081 50 30 IKEARN Cc1ccc(N=C2S/C(=C\c3cc(Cl)ccc3O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252614432 569197507 /nfs/dbraw/zinc/19/75/07/569197507.db2.gz JJFHRYQLFXFWNT-WJEPFGLZSA-N 0 0 434.948 6.471 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252615175 569197515 /nfs/dbraw/zinc/19/75/15/569197515.db2.gz JQFLEOSSGQGCKX-IRZHRRCCSA-N 0 0 426.538 5.117 50 30 IKEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000252615100 569197572 /nfs/dbraw/zinc/19/75/72/569197572.db2.gz JOVGUMFGBVGINY-UHFFFAOYSA-N 0 0 425.311 5.139 50 30 IKEARN CCCCN1c2ccccc2/C(=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)C1=O ZINC000252614441 569197583 /nfs/dbraw/zinc/19/75/83/569197583.db2.gz JJIBUHATVABDNO-YFWHMSOXSA-N 0 0 425.941 5.091 50 30 IKEARN COc1cccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000252616346 569197656 /nfs/dbraw/zinc/19/76/56/569197656.db2.gz JZTGGLKGODRTLO-IXQMQDOZSA-N 0 0 442.584 6.737 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252616594 569197668 /nfs/dbraw/zinc/19/76/68/569197668.db2.gz KBLXMUMJJKKJAP-AIMMPNMZSA-N 0 0 430.548 6.759 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1CC ZINC000252616324 569197686 /nfs/dbraw/zinc/19/76/86/569197686.db2.gz JZPDBACNEOGMFU-DNKROPNVSA-N 0 0 428.557 6.326 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000252617165 569197692 /nfs/dbraw/zinc/19/76/92/569197692.db2.gz KNLCQTIEBLYWRY-VYYDMKJGSA-N 0 0 445.588 6.503 50 30 IKEARN CC[C@H](C)Oc1c(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC ZINC000252619142 569198153 /nfs/dbraw/zinc/19/81/53/569198153.db2.gz LNIFIALKAWDNAG-CDWCNJIQSA-N 0 0 440.565 5.123 50 30 IKEARN FC(F)(F)c1nc(N=NCc2ccc(Br)cc2)sc1-c1ccccc1 ZINC000252619118 569198168 /nfs/dbraw/zinc/19/81/68/569198168.db2.gz LMQQVMLVKFGOMW-UHFFFAOYSA-N 0 0 426.261 6.037 50 30 IKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccccc3)N(c3ccccc3)C1=O)S2 ZINC000252619646 569198499 /nfs/dbraw/zinc/19/84/99/569198499.db2.gz LRTLXHFKGLXMSR-SEYIQKDNSA-N 0 0 445.569 5.874 50 30 IKEARN Cc1nnc(N=C(N2N=C(C)S[C@@H]2c2ccc(C)cc2)N2CCc3ccccc3C2)s1 ZINC000252621056 569201634 /nfs/dbraw/zinc/20/16/34/569201634.db2.gz MRYZLGGBZOLKEJ-OAQYLSRUSA-N 0 0 448.621 5.282 50 30 IKEARN COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000252621152 569201666 /nfs/dbraw/zinc/20/16/66/569201666.db2.gz MTZVPOYKYSIUND-YOIRLTMBSA-N 0 0 448.975 6.774 50 30 IKEARN Cc1ccccc1N=C1S/C(=C2/c3ccccc3N(C)C2=O)C(=O)N1c1ccccc1C ZINC000252621218 569201676 /nfs/dbraw/zinc/20/16/76/569201676.db2.gz MVLAYSHQJMDJKV-SHXUIJRESA-N 0 0 439.540 5.459 50 30 IKEARN Cc1ccccc1NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1 ZINC000252621762 569201717 /nfs/dbraw/zinc/20/17/17/569201717.db2.gz NGFRSYJEESVIHS-UHFFFAOYSA-N 0 0 426.303 5.591 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C(C)C)cc1 ZINC000252621863 569201750 /nfs/dbraw/zinc/20/17/50/569201750.db2.gz NIHKSWNBESYGTQ-HSZRJFAPSA-N 0 0 449.620 6.080 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252622738 569201871 /nfs/dbraw/zinc/20/18/71/569201871.db2.gz OBPBUAWGQFZUQD-ZZYMSUEGSA-N 0 0 435.332 5.404 50 30 IKEARN CSc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000252623370 569202163 /nfs/dbraw/zinc/20/21/63/569202163.db2.gz OPLJQUSNFAWQNM-ZYITZIQLSA-N 0 0 430.598 6.834 50 30 IKEARN CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccc1 ZINC000252623837 569202165 /nfs/dbraw/zinc/20/21/65/569202165.db2.gz PAJLDDXCQWORLE-DRIWLZCMSA-N 0 0 434.948 6.153 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)C2=O ZINC000252623207 569202184 /nfs/dbraw/zinc/20/21/84/569202184.db2.gz OMJIZRMQBBHMOY-BCBYZYKNSA-N 0 0 441.453 7.444 50 30 IKEARN Cc1ccc(N=C2S/C(=C/c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 ZINC000252623857 569202292 /nfs/dbraw/zinc/20/22/92/569202292.db2.gz PAYRFYHAYXRJCI-AHLKSMJESA-N 0 0 439.540 5.680 50 30 IKEARN O=C1CC(=NN=c2scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21 ZINC000252624123 569202546 /nfs/dbraw/zinc/20/25/46/569202546.db2.gz PGUFQQJWSLCLJN-UHFFFAOYSA-N 0 0 429.932 5.751 50 30 IKEARN CCOc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O ZINC000252624184 569202621 /nfs/dbraw/zinc/20/26/21/569202621.db2.gz PINVISQOLIUBCR-GQUXDKRHSA-N 0 0 444.556 6.216 50 30 IKEARN Cc1ccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252624209 569202681 /nfs/dbraw/zinc/20/26/81/569202681.db2.gz PIYTUXFPRDSHRQ-APZKEAJMSA-N 0 0 428.557 6.434 50 30 IKEARN COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1CSc1nc2ccccc2[nH]1 ZINC000002214476 569202819 /nfs/dbraw/zinc/20/28/19/569202819.db2.gz MXKPRWUUTPBDAL-ZVHZXABRSA-N 0 0 447.589 5.184 50 30 IKEARN CCc1ccc(N=C2S/C(=C/C=C/c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252624531 569202952 /nfs/dbraw/zinc/20/29/52/569202952.db2.gz PPVNLTXZAAHASO-OSTDAHTDSA-N 0 0 438.596 7.176 50 30 IKEARN CCc1ccc(-c2nc3cc(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1 ZINC000252625436 569203165 /nfs/dbraw/zinc/20/31/65/569203165.db2.gz QJTWQQJSAYULSE-UHFFFAOYSA-N 0 0 437.455 6.575 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cccc(Br)c4)ccc3o2)cc1 ZINC000252625184 569203186 /nfs/dbraw/zinc/20/31/86/569203186.db2.gz QEYOERKBYJROCF-UHFFFAOYSA-N 0 0 433.349 7.305 50 30 IKEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252626256 569203304 /nfs/dbraw/zinc/20/33/04/569203304.db2.gz QZFGQBJWAPWRSN-RLPJPJOASA-N 0 0 425.340 6.802 50 30 IKEARN O=C(Nc1ccc(N=C/C=C\c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000252627041 569203327 /nfs/dbraw/zinc/20/33/27/569203327.db2.gz RKVOIYPIDGWDSG-KUISUMHASA-N 0 0 429.734 7.315 50 30 IKEARN COc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000252627483 569203516 /nfs/dbraw/zinc/20/35/16/569203516.db2.gz RVGPTYYAVVIMHX-UNHHPBJVSA-N 0 0 444.556 6.129 50 30 IKEARN C=CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(Cl)cc1 ZINC000252627255 569203534 /nfs/dbraw/zinc/20/35/34/569203534.db2.gz RPXZXDKQLMGGMG-POSJOTSYSA-N 0 0 448.400 6.154 50 30 IKEARN CCOc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2 ZINC000252627207 569203556 /nfs/dbraw/zinc/20/35/56/569203556.db2.gz ROUYAPDUUUROKS-PHCYPTEHSA-N 0 0 448.500 5.211 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252628519 569203600 /nfs/dbraw/zinc/20/36/00/569203600.db2.gz SRZZRVYDVLHOKV-ZQWONFHDSA-N 0 0 440.612 7.237 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252628205 569203673 /nfs/dbraw/zinc/20/36/73/569203673.db2.gz SKXGJPMPICTUNM-HNYZTYFESA-N 0 0 440.565 5.507 50 30 IKEARN COc1cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O ZINC000252628809 569203688 /nfs/dbraw/zinc/20/36/88/569203688.db2.gz SYGYADBSIGVFRH-ARKVWGHASA-N 0 0 430.529 5.826 50 30 IKEARN Cc1nn(C)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C(C)(C)C)C2 ZINC000252628668 569203727 /nfs/dbraw/zinc/20/37/27/569203727.db2.gz SVHWGRXZNDGIFN-SFHVURJKSA-N 0 0 440.657 5.754 50 30 IKEARN O=[N+]([O-])c1cccc(/C=C\C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000252628698 569203741 /nfs/dbraw/zinc/20/37/41/569203741.db2.gz SVVNCOSUAMKAGP-NDHAVUBYSA-N 0 0 448.276 6.581 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2CC)N(CC)C1=O ZINC000252629247 569203781 /nfs/dbraw/zinc/20/37/81/569203781.db2.gz UCDIRXNTFIAGTA-OFGWUVNBSA-N 0 0 444.600 6.815 50 30 IKEARN COc1cc(Br)cc(C=Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000252628985 569203798 /nfs/dbraw/zinc/20/37/98/569203798.db2.gz TWHKLDDIONUDGJ-UHFFFAOYSA-N 0 0 437.293 6.031 50 30 IKEARN O=C1CCCC/C1=C1/SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252629912 569203905 /nfs/dbraw/zinc/20/39/05/569203905.db2.gz UQFVZTVHLXGIEC-LJKYRGLPSA-N 0 0 437.568 7.055 50 30 IKEARN CCn1c2ccccc2c2cc(C=NN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000252629633 569203956 /nfs/dbraw/zinc/20/39/56/569203956.db2.gz UKLUKQFXADFNPT-UHFFFAOYSA-N 0 0 430.983 5.620 50 30 IKEARN Oc1ccc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 ZINC000252631368 569204469 /nfs/dbraw/zinc/20/44/69/569204469.db2.gz VKCSIAQWASAEHJ-UHFFFAOYSA-N 0 0 426.221 7.261 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000252631407 569204479 /nfs/dbraw/zinc/20/44/79/569204479.db2.gz VKSDRAQNEXCQDF-CXIRDOBYSA-N 0 0 425.488 7.116 50 30 IKEARN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 ZINC000252630875 569204483 /nfs/dbraw/zinc/20/44/83/569204483.db2.gz VFLYQKHOKFQGFC-UHFFFAOYSA-N 0 0 438.531 6.141 50 30 IKEARN CCNC(=S)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000002223633 569204721 /nfs/dbraw/zinc/20/47/21/569204721.db2.gz YNCOTJWNYLPTGX-BRJLIKDPSA-N 0 0 434.005 5.177 50 30 IKEARN Clc1ccc(-c2nc3ccc(N=Cc4cc5c(cc4Cl)OCO5)cc3o2)cc1Cl ZINC000252634671 569207768 /nfs/dbraw/zinc/20/77/68/569207768.db2.gz WQIOQJZAWYMGFX-UHFFFAOYSA-N 0 0 445.689 6.934 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=Nc1ccc(C)c(C)c1 ZINC000252634792 569207795 /nfs/dbraw/zinc/20/77/95/569207795.db2.gz WQVAFROCZAAHDK-PXWOKZSGSA-N 0 0 445.382 5.698 50 30 IKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O ZINC000252638274 569208310 /nfs/dbraw/zinc/20/83/10/569208310.db2.gz YASOULSQRVOPLY-PNVGRYOSSA-N 0 0 430.957 5.704 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000252638119 569208188 /nfs/dbraw/zinc/20/81/88/569208188.db2.gz XZNYWKZYTUABSV-ZNCAUEQNSA-N 0 0 444.556 6.293 50 30 IKEARN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12 ZINC000252637284 569208211 /nfs/dbraw/zinc/20/82/11/569208211.db2.gz XREVEVJIGHQCDH-UHFFFAOYSA-N 0 0 443.547 7.363 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3c(C)[nH]c4ccccc43)C(=O)N2C2CCCCC2)cc1 ZINC000252638324 569208314 /nfs/dbraw/zinc/20/83/14/569208314.db2.gz YBGYWIGKLVPOKY-OFYGDPCRSA-N 0 0 445.588 6.422 50 30 IKEARN CCOc1ccc2nc(Sc3ccc(C=Nc4ccc5ccccc5c4)o3)sc2c1 ZINC000252639017 569208340 /nfs/dbraw/zinc/20/83/40/569208340.db2.gz YHHSGWMOWZTUTC-UHFFFAOYSA-N 0 0 430.554 7.343 50 30 IKEARN COc1ccc(-c2csc(NC(=O)c3ccc(C)c(Cl)c3)n2)cc1Br ZINC000002258577 569215436 /nfs/dbraw/zinc/21/54/36/569215436.db2.gz WDQMQMPBICHJMQ-UHFFFAOYSA-N 0 0 437.746 6.179 50 30 IKEARN COc1ccc(N=C/C=C2\C=C(c3ccccc3)OC3(O2)C2CC4CC(C2)CC3C4)cc1 ZINC000252640271 569208703 /nfs/dbraw/zinc/20/87/03/569208703.db2.gz YSMDAGNFOXSLGJ-PHBIBBRYSA-N 0 0 427.544 6.522 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]23)cc1 ZINC000198244411 569209349 /nfs/dbraw/zinc/20/93/49/569209349.db2.gz LRZMINYCHKGPFT-OIYHUGEZSA-N 0 0 443.503 5.829 50 30 IKEARN Cc1ccc2oc(-c3ccc(N=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nc2c1 ZINC000252643466 569209463 /nfs/dbraw/zinc/20/94/63/569209463.db2.gz ZUXCKQDXJCPZCG-UHFFFAOYSA-N 0 0 447.321 8.121 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2ccccc2OC)C(=O)N1c1ccccc1CC ZINC000252642210 569209468 /nfs/dbraw/zinc/20/94/68/569209468.db2.gz ZJXFXNJPTOKNLR-SBEYKLCGSA-N 0 0 442.584 6.629 50 30 IKEARN O=C1C(=O)N(c2ccccc2)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252643778 569209475 /nfs/dbraw/zinc/20/94/75/569209475.db2.gz ZWNJGNCJOKAGTH-UHFFFAOYSA-N 0 0 444.494 5.527 50 30 IKEARN O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252642743 569209493 /nfs/dbraw/zinc/20/94/93/569209493.db2.gz ZPDZJAANZQTWKI-HJFHBGSISA-N 0 0 435.346 6.258 50 30 IKEARN COc1cc(C=Nc2ccc(C(C)=O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252643552 569209494 /nfs/dbraw/zinc/20/94/94/569209494.db2.gz ZVVHEEOKUZGKEE-UHFFFAOYSA-N 0 0 435.392 5.257 50 30 IKEARN CC1(C)OC(c2ccccc2)=C/C(=C/C=Nc2ccc(Cl)cc2C(=O)c2ccccc2)O1 ZINC000252679391 569210602 /nfs/dbraw/zinc/21/06/02/569210602.db2.gz LRYWPGGNVAJLHF-LPQVLLHSSA-N 0 0 443.930 6.981 50 30 IKEARN CCCCCCCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002233764 569210894 /nfs/dbraw/zinc/21/08/94/569210894.db2.gz ATCSUMHYLAIMFH-UHFFFAOYSA-N 0 0 436.581 5.360 50 30 IKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1ccc(F)cc1 ZINC000002886637 569211230 /nfs/dbraw/zinc/21/12/30/569211230.db2.gz ZPTCYXOQBULOLI-UHFFFAOYSA-N 0 0 436.533 5.425 50 30 IKEARN C=C[C@@H]1Oc2ccc(Br)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000003668708 569212053 /nfs/dbraw/zinc/21/20/53/569212053.db2.gz SAUDVEBWTPDHPK-IBGZPJMESA-N 0 0 430.386 6.075 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccc(F)cc1 ZINC000002235167 569212070 /nfs/dbraw/zinc/21/20/70/569212070.db2.gz WRYJORCCMJUHCY-JAIQZWGSSA-N 0 0 429.230 5.968 50 30 IKEARN O=C(COc1ccc(C=Nc2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000003082679 569213142 /nfs/dbraw/zinc/21/31/42/569213142.db2.gz PHVBJRQBJMMWPH-MTDXEUNCSA-N 0 0 436.467 6.274 50 30 IKEARN Cc1ccc(C)c(/N=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)c1 ZINC000003085820 569213186 /nfs/dbraw/zinc/21/31/86/569213186.db2.gz BPUWDPVSUTWIJW-NJZRLIGZSA-N 0 0 433.551 7.182 50 30 IKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)cc3)nc21 ZINC000003115289 569213239 /nfs/dbraw/zinc/21/32/39/569213239.db2.gz GCBFMHYRWXDEGB-FSJBWODESA-N 0 0 436.265 6.225 50 30 IKEARN Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000002245082 569213483 /nfs/dbraw/zinc/21/34/83/569213483.db2.gz UOADOWYMLNCDKJ-OVVQPSECSA-N 0 0 449.392 6.486 50 30 IKEARN O=C(Nc1cccc(N=CC2=CC(=[NH+][N-]c3ccccc3Cl)C=CC2=O)c1)c1ccco1 ZINC000027472185 569213941 /nfs/dbraw/zinc/21/39/41/569213941.db2.gz KBCYZVZQYZBOBI-ZXIVSDKTSA-N 0 0 444.878 7.057 50 30 IKEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000027471626 569213956 /nfs/dbraw/zinc/21/39/56/569213956.db2.gz HZXBTISGCZQUBM-WQRHYEAKSA-N 0 0 425.853 5.400 50 30 IKEARN Clc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000027474039 569214076 /nfs/dbraw/zinc/21/40/76/569214076.db2.gz DFEQTOYKKZYOKV-AWUWXFTQSA-N 0 0 435.958 7.446 50 30 IKEARN C=C(C)CSc1nnc2n1c(=O)c1c(n2CC(=C)C)-c2ccccc2CC12CCCC2 ZINC000002247974 569214650 /nfs/dbraw/zinc/21/46/50/569214650.db2.gz XEVMACPTXXFZAK-UHFFFAOYSA-N 0 0 432.593 5.170 50 30 IKEARN CCCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CC/C2=C\c1ccccc1 ZINC000027490387 569215606 /nfs/dbraw/zinc/21/56/06/569215606.db2.gz ACCFKNZQUIQRHI-LTGZKZEYSA-N 0 0 440.568 6.152 50 30 IKEARN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000002261395 569215620 /nfs/dbraw/zinc/21/56/20/569215620.db2.gz VPMIHQLYCNIERV-UHFFFAOYSA-N 0 0 448.345 5.312 50 30 IKEARN Clc1ccc(Cn2c(/C=N/C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1 ZINC000027498517 569215825 /nfs/dbraw/zinc/21/58/25/569215825.db2.gz CWYUIMJMVFULBD-NDZAJKAJSA-N 0 0 435.958 6.947 50 30 IKEARN O=C(c1ccc(F)cc1)C1=C2NC(=O)c3c4c(sc3N2Cc2ccccc21)CCCC4 ZINC000002262077 569215928 /nfs/dbraw/zinc/21/59/28/569215928.db2.gz OZZVVJLELNATTI-UHFFFAOYSA-N 0 0 430.504 5.081 50 30 IKEARN Cc1cc(I)cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1O ZINC000027501143 569216566 /nfs/dbraw/zinc/21/65/66/569216566.db2.gz ZQWDTRCJQQRSKU-FSJBWODESA-N 0 0 425.269 5.627 50 30 IKEARN C=CCn1c(SCc2ccc(C)cc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002271894 569217469 /nfs/dbraw/zinc/21/74/69/569217469.db2.gz BXBSLJLRSYAPPY-UHFFFAOYSA-N 0 0 442.628 6.373 50 30 IKEARN C=C(C)CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002271825 569217500 /nfs/dbraw/zinc/21/75/00/569217500.db2.gz PVWPLLUVQBTQJO-UHFFFAOYSA-N 0 0 428.601 5.995 50 30 IKEARN CCCCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000002271540 569217550 /nfs/dbraw/zinc/21/75/50/569217550.db2.gz XLEUKBNPHDNRMD-UHFFFAOYSA-N 0 0 432.589 6.977 50 30 IKEARN CCc1c(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc(C)c1C(=O)Nc1ccccc1 ZINC000002271485 569217592 /nfs/dbraw/zinc/21/75/92/569217592.db2.gz XZGVRYXEDPAFSA-UHFFFAOYSA-N 0 0 449.963 5.705 50 30 IKEARN O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 ZINC000002271484 569217676 /nfs/dbraw/zinc/21/76/76/569217676.db2.gz QVNHQPDINOURHE-UHFFFAOYSA-N 0 0 449.153 5.795 50 30 IKEARN C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002272637 569217753 /nfs/dbraw/zinc/21/77/53/569217753.db2.gz MKOOJJOTJFTPDL-QGZVFWFLSA-N 0 0 432.699 6.858 50 30 IKEARN Cc1ccc(F)cc1NC(=O)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002277215 569217849 /nfs/dbraw/zinc/21/78/49/569217849.db2.gz JBDKOEHYXSOMOL-UHFFFAOYSA-N 0 0 428.279 5.295 50 30 IKEARN CCOc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 ZINC000002280080 569217991 /nfs/dbraw/zinc/21/79/91/569217991.db2.gz OVPWZDQFPBJOOV-JCMHNJIXSA-N 0 0 435.932 6.216 50 30 IKEARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000027520263 569218208 /nfs/dbraw/zinc/21/82/08/569218208.db2.gz OEIXTSTWTPXSTC-GNVQSUKOSA-N 0 0 439.540 6.038 50 30 IKEARN N#Cc1c2ccccc2nc2c1-c1c(OC(=O)c3c(Cl)cccc3Cl)ccn1CC2 ZINC000035615972 569257716 /nfs/dbraw/zinc/25/77/16/569257716.db2.gz UHQRTOCQWASHFB-UHFFFAOYSA-N 0 0 434.282 5.657 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 ZINC000138166337 569262889 /nfs/dbraw/zinc/26/28/89/569262889.db2.gz QHSIPLRFUZZWRP-BLRRAGTOSA-N 0 0 431.532 5.096 50 30 IKEARN N#Cc1c2nc3ccccc3nc2n(CCc2ccccc2)c1NC(=O)/C=C/c1ccccc1 ZINC000002286521 569262993 /nfs/dbraw/zinc/26/29/93/569262993.db2.gz MMMFSHDBUXDRHK-FOCLMDBBSA-N 0 0 443.510 5.351 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257347671 569263110 /nfs/dbraw/zinc/26/31/10/569263110.db2.gz PMBSWZWCNKVWLV-QSCSCSHRSA-N 0 0 442.684 7.139 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]12C ZINC000257347876 569263225 /nfs/dbraw/zinc/26/32/25/569263225.db2.gz XRLBQELEYBVDHJ-WXIYRBSGSA-N 0 0 444.612 5.265 50 30 IKEARN N#Cc1c2nc3ccccc3nc2n(C2CCCCC2)c1NC(=O)c1ccccc1Cl ZINC000002286740 569263986 /nfs/dbraw/zinc/26/39/86/569263986.db2.gz GHKWOQGIXGNYCA-UHFFFAOYSA-N 0 0 429.911 5.867 50 30 IKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@@H](C(C)(C)C)C3 ZINC000002294993 569268128 /nfs/dbraw/zinc/26/81/28/569268128.db2.gz PVAUJKCPEHMIQR-OAHLLOKOSA-N 0 0 446.686 5.856 50 30 IKEARN CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 ZINC000252594364 569271380 /nfs/dbraw/zinc/27/13/80/569271380.db2.gz BRYNBLNOQPNQEA-DMEHKQLVSA-N 0 0 436.508 5.726 50 30 IKEARN O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 ZINC000002306125 569271652 /nfs/dbraw/zinc/27/16/52/569271652.db2.gz AJJLZQJXFPNRAY-RPWUZVMVSA-N 0 0 440.854 5.247 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1ccccc1)sc1c2CCc2ccccc2-1 ZINC000002305043 569271700 /nfs/dbraw/zinc/27/17/00/569271700.db2.gz PHNPOUKGXRPKEW-UHFFFAOYSA-N 0 0 444.581 5.385 50 30 IKEARN C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 ZINC000002316340 569272432 /nfs/dbraw/zinc/27/24/32/569272432.db2.gz KCGARPAXCBIISG-UHFFFAOYSA-N 0 0 433.396 5.245 50 30 IKEARN N#Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 ZINC000002318200 569272557 /nfs/dbraw/zinc/27/25/57/569272557.db2.gz DNQUZDZOCIEGDV-UHFFFAOYSA-N 0 0 446.022 5.884 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O ZINC000253531310 569273010 /nfs/dbraw/zinc/27/30/10/569273010.db2.gz NDZYXAXWOZOQAQ-ZYNKDDGTSA-N 0 0 434.624 5.884 50 30 IKEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000027570839 569273540 /nfs/dbraw/zinc/27/35/40/569273540.db2.gz VDQNIUKAYFRQEO-DEDYPNTBSA-N 0 0 437.854 5.616 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@@]21C ZINC000254385783 569273790 /nfs/dbraw/zinc/27/37/90/569273790.db2.gz CYPQELKXBYBDOE-LIJQOQRPSA-N 0 0 446.628 5.154 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@]21C ZINC000254385775 569273825 /nfs/dbraw/zinc/27/38/25/569273825.db2.gz CYPQELKXBYBDOE-FJYPBRCGSA-N 0 0 446.628 5.154 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@@]21C ZINC000254385797 569273831 /nfs/dbraw/zinc/27/38/31/569273831.db2.gz CYPQELKXBYBDOE-XVVYIGRDSA-N 0 0 446.628 5.154 50 30 IKEARN C=CCNC(=S)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(C)cc1)n3CCCC2 ZINC000002322260 569274235 /nfs/dbraw/zinc/27/42/35/569274235.db2.gz ROVPCCYRHBNWDM-UHFFFAOYSA-N 0 0 425.601 6.171 50 30 IKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1cccc(C(F)(F)F)c1 ZINC000002330518 569274568 /nfs/dbraw/zinc/27/45/68/569274568.db2.gz LHRLYJAIXOCCJQ-OOAXWGSJSA-N 0 0 431.527 6.904 50 30 IKEARN CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(I)cc1 ZINC000002336261 569274786 /nfs/dbraw/zinc/27/47/86/569274786.db2.gz CNCCXDOZKQIWSU-CIAFOILYSA-N 0 0 446.244 5.012 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccccc2C)c2nc3ccccc3nc21 ZINC000002343525 569275324 /nfs/dbraw/zinc/27/53/24/569275324.db2.gz CCRDGGNQCAVCKV-STBIYBPSSA-N 0 0 442.567 5.058 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000257347751 569280068 /nfs/dbraw/zinc/28/00/68/569280068.db2.gz SUISKBUAOOSHAW-PKVQVSCOSA-N 0 0 444.612 5.265 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000257348104 569280090 /nfs/dbraw/zinc/28/00/90/569280090.db2.gz BKOGUJNRCSWUNA-ZWXODBCLSA-N 0 0 446.653 5.473 50 30 IKEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@H]1CC2 ZINC000257348117 569280173 /nfs/dbraw/zinc/28/01/73/569280173.db2.gz BNXIOYCVQJVXLJ-JDZMTYJOSA-N 0 0 434.617 6.332 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348492 569280192 /nfs/dbraw/zinc/28/01/92/569280192.db2.gz GCRIWPLHBVKSPY-IJEDQFSISA-N 0 0 444.612 5.265 50 30 IKEARN CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12 ZINC000257348677 569280256 /nfs/dbraw/zinc/28/02/56/569280256.db2.gz HXUGNDVVHVLCAY-VWWUWDCMSA-N 0 0 442.684 7.139 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348657 569280284 /nfs/dbraw/zinc/28/02/84/569280284.db2.gz HVEXIRSOIACQFA-LKLDDISHSA-N 0 0 430.677 7.378 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]23)cc1 ZINC000257350145 569280535 /nfs/dbraw/zinc/28/05/35/569280535.db2.gz VBLKGSKRRMCRKY-BHMXKCEWSA-N 0 0 444.637 5.681 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000257350204 569280577 /nfs/dbraw/zinc/28/05/77/569280577.db2.gz VOPZSPZAIPUPAF-NLIWDHKGSA-N 0 0 444.637 5.681 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000257350155 569280579 /nfs/dbraw/zinc/28/05/79/569280579.db2.gz VEEBKUQFPONGGR-TZGMUMITSA-N 0 0 444.700 7.171 50 30 IKEARN CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@@H]4[C@]3(C)C[C@H]1O2 ZINC000257350328 569280592 /nfs/dbraw/zinc/28/05/92/569280592.db2.gz WJIXKJVODIQPNM-MIPFYYDASA-N 0 0 444.700 7.376 50 30 IKEARN CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@@H]3CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1 ZINC000257350341 569280630 /nfs/dbraw/zinc/28/06/30/569280630.db2.gz WKPPTKDUKHFXEE-YQIUZUFSSA-N 0 0 428.701 7.276 50 30 IKEARN C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@]1(O)C1=CCCC[C@H]1[Si](C)(C)c1ccccc1)C2(C)C ZINC000257355461 569280754 /nfs/dbraw/zinc/28/07/54/569280754.db2.gz AUXKMQHVEKOAFZ-IHSWJCKASA-N 0 0 440.700 5.425 50 30 IKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@H](O)C[C@H]1O ZINC000257355245 569280792 /nfs/dbraw/zinc/28/07/92/569280792.db2.gz ZGLHBRQAEXKACO-GTYYVJRHSA-N 0 0 428.657 5.727 50 30 IKEARN C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)CC1=O ZINC000257356409 569280854 /nfs/dbraw/zinc/28/08/54/569280854.db2.gz HVPFVUHFUULZFU-KGRMKBBGSA-N 0 0 434.693 5.641 50 30 IKEARN CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cccc(N(C)C)c3)C[C@@]21C ZINC000257357203 569280879 /nfs/dbraw/zinc/28/08/79/569280879.db2.gz MREOZLCREPXSCQ-MKFFEXNQSA-N 0 0 429.604 5.407 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000257358570 569280916 /nfs/dbraw/zinc/28/09/16/569280916.db2.gz VEEBKUQFPONGGR-LIENWKSCSA-N 0 0 444.700 7.171 50 30 IKEARN COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000253501622 569283602 /nfs/dbraw/zinc/28/36/02/569283602.db2.gz PFLCXOYUUHWAGR-AZQOAERPSA-N 0 0 439.640 5.984 50 30 biogenic IKEARN C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000253531728 569283964 /nfs/dbraw/zinc/28/39/64/569283964.db2.gz BZDQWOZFIUXHLF-QJSCDEBDSA-N 0 0 434.576 5.578 50 30 IKEARN C=CCc1ccccc1OCCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O ZINC000002352770 569284293 /nfs/dbraw/zinc/28/42/93/569284293.db2.gz GRBSASOSARPFFI-UHFFFAOYSA-N 0 0 440.543 5.660 50 30 IKEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3F)n2)c1 ZINC000000662160 569284892 /nfs/dbraw/zinc/28/48/92/569284892.db2.gz TUCPXODRVCCRDS-UHFFFAOYSA-N 0 0 427.888 5.152 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c3ccccc3n2)o1 ZINC000000672950 569284903 /nfs/dbraw/zinc/28/49/03/569284903.db2.gz BWMMRJMJADZXFA-UHFFFAOYSA-N 0 0 441.556 6.648 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 ZINC000000704882 569285084 /nfs/dbraw/zinc/28/50/84/569285084.db2.gz XGMRWSODFXKGFI-UHFFFAOYSA-N 0 0 433.480 5.740 50 30 IKEARN CCN1c2ccc(C(=O)OCCC(F)(F)F)cc2N(CC)/C1=C\C=Nc1ccccc1 ZINC000334157050 569285654 /nfs/dbraw/zinc/28/56/54/569285654.db2.gz QFKDXSSZHQWLSX-KHECYXNTSA-N 0 0 431.458 5.706 50 30 IKEARN CC(C)(C)c1cc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc(C(C)(C)C)c1O ZINC000018200340 569287954 /nfs/dbraw/zinc/28/79/54/569287954.db2.gz AABBCWMDIMVUNO-DEOSSOPVSA-N 0 0 447.575 6.280 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc21 ZINC000002371550 569289009 /nfs/dbraw/zinc/28/90/09/569289009.db2.gz CLCSBMKBJABRHC-UHFFFAOYSA-N 0 0 446.551 5.682 50 30 IKEARN C#CCOc1ccc(-c2nnc(Nc3cccc(Br)c3)c3ccccc32)cc1 ZINC000002371374 569289021 /nfs/dbraw/zinc/28/90/21/569289021.db2.gz UZICIOLXLKEXNV-UHFFFAOYSA-N 0 0 430.305 5.815 50 30 IKEARN Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)cc1 ZINC000002375871 569289305 /nfs/dbraw/zinc/28/93/05/569289305.db2.gz SZTFCTDUYIXVES-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN C=CCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@](C)(CC)Cc2ccccc2-1 ZINC000002375515 569289322 /nfs/dbraw/zinc/28/93/22/569289322.db2.gz QYMZBLJVEQHERN-AREMUKBSSA-N 0 0 442.588 5.108 50 30 IKEARN Cc1ccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c(C)c1 ZINC000008427318 569289657 /nfs/dbraw/zinc/28/96/57/569289657.db2.gz IXGPQHYEMXSDJS-UHFFFAOYSA-N 0 0 432.492 6.292 50 30 IKEARN CC(C)(C)c1ccc(CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)cc1 ZINC000008443116 569289762 /nfs/dbraw/zinc/28/97/62/569289762.db2.gz VGTNPJQWHWWDCH-UHFFFAOYSA-N 0 0 446.666 8.000 50 30 IKEARN COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000008448640 569289786 /nfs/dbraw/zinc/28/97/86/569289786.db2.gz LFAUMQUEKOQCRD-SFHVURJKSA-N 0 0 448.657 7.134 50 30 IKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1 ZINC000008446002 569289795 /nfs/dbraw/zinc/28/97/95/569289795.db2.gz LKXLLDUAGSWYSV-UHFFFAOYSA-N 0 0 440.955 6.916 50 30 IKEARN CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc2c1 ZINC000008446190 569289816 /nfs/dbraw/zinc/28/98/16/569289816.db2.gz RYGBANNBHNWRMH-UHFFFAOYSA-N 0 0 448.573 5.048 50 30 IKEARN Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1 ZINC000008441070 569289818 /nfs/dbraw/zinc/28/98/18/569289818.db2.gz QXXILLMRHBKSDT-UHFFFAOYSA-N 0 0 449.579 6.635 50 30 IKEARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)cc1 ZINC000008448425 569289821 /nfs/dbraw/zinc/28/98/21/569289821.db2.gz KNOAAJJUJOCXKS-UHFFFAOYSA-N 0 0 438.527 6.710 50 30 IKEARN Cc1cc(C)n(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)n1 ZINC000008448625 569289823 /nfs/dbraw/zinc/28/98/23/569289823.db2.gz SASNLKIGCIYPKU-UHFFFAOYSA-N 0 0 442.519 5.672 50 30 IKEARN N#Cc1c(OCc2ccccc2Cl)nc2c(c1-c1cccs1)CCc1ccccc1-2 ZINC000008450697 569289902 /nfs/dbraw/zinc/28/99/02/569289902.db2.gz JZYFEWRIGIIKBR-UHFFFAOYSA-N 0 0 428.944 6.680 50 30 IKEARN N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCCCC2 ZINC000008456815 569289933 /nfs/dbraw/zinc/28/99/33/569289933.db2.gz VJJGTHMEMIXUTR-UHFFFAOYSA-N 0 0 437.392 6.383 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002379997 569290015 /nfs/dbraw/zinc/29/00/15/569290015.db2.gz MBPHMDLVKJPQNR-UHFFFAOYSA-N 0 0 443.595 5.980 50 30 IKEARN COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(F)cc3)nc3c2CCCC3)cc1 ZINC000008742107 569290178 /nfs/dbraw/zinc/29/01/78/569290178.db2.gz YGXRVTFONVGLDQ-UHFFFAOYSA-N 0 0 432.520 5.622 50 30 IKEARN CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 ZINC000008766649 569290340 /nfs/dbraw/zinc/29/03/40/569290340.db2.gz GRTOHCMYOMUHMP-SDNWHVSQSA-N 0 0 438.599 5.885 50 30 IKEARN O=C(C/C=N/OCc1ccccc1Br)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000008857080 569291401 /nfs/dbraw/zinc/29/14/01/569291401.db2.gz GQZYIUVIFBOKQK-AUEPDCJTSA-N 0 0 449.757 6.001 50 30 IKEARN N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000008857312 569291473 /nfs/dbraw/zinc/29/14/73/569291473.db2.gz SNBVDABYPYIOAQ-UHFFFAOYSA-N 0 0 425.262 7.097 50 30 IKEARN N#Cc1c(Sc2ccc(Br)cc2)nc(-c2ccccc2)cc1C(F)(F)F ZINC000008857132 569291490 /nfs/dbraw/zinc/29/14/90/569291490.db2.gz LXHJNCICEPTGQI-UHFFFAOYSA-N 0 0 435.268 6.553 50 30 IKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1ccc(Cl)c(Cl)c1 ZINC000008857399 569291502 /nfs/dbraw/zinc/29/15/02/569291502.db2.gz IDOPPPOUAOVYIU-UHFFFAOYSA-N 0 0 425.262 7.097 50 30 IKEARN Fc1ccc(CO/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000008873131 569291635 /nfs/dbraw/zinc/29/16/35/569291635.db2.gz CGMRRCHRLXHWSU-MZJWZYIUSA-N 0 0 436.939 6.870 50 30 IKEARN Cc1ccc(S(=O)(=O)c2c(C)cc(-c3ccccc3)nc2Oc2ccc(C#N)cc2)cc1 ZINC000008873857 569291835 /nfs/dbraw/zinc/29/18/35/569291835.db2.gz OFEWYNCWUSGJJQ-UHFFFAOYSA-N 0 0 440.524 5.862 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008888202 569291893 /nfs/dbraw/zinc/29/18/93/569291893.db2.gz HYENONJVQALLET-UXHOKJDVSA-N 0 0 426.343 6.727 50 30 IKEARN N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1SCc1cccc(C(F)(F)F)c1 ZINC000008885116 569291896 /nfs/dbraw/zinc/29/18/96/569291896.db2.gz FTVREKKWVCEICX-UHFFFAOYSA-N 0 0 438.396 6.950 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008888197 569291982 /nfs/dbraw/zinc/29/19/82/569291982.db2.gz PVCQIYANENDXBU-KOYYFNRMSA-N 0 0 436.895 5.981 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002384076 569293982 /nfs/dbraw/zinc/29/39/82/569293982.db2.gz GADIFYAALANNRB-UHFFFAOYSA-N 0 0 429.568 5.110 50 30 IKEARN CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3cccc(C)c3)n2c1C ZINC000065315830 569294213 /nfs/dbraw/zinc/29/42/13/569294213.db2.gz TVFONCGRDAETMH-UHFFFAOYSA-N 0 0 430.533 5.340 50 30 IKEARN N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000009226940 569294533 /nfs/dbraw/zinc/29/45/33/569294533.db2.gz MDBQULVXILALOA-OAQYLSRUSA-N 0 0 447.494 5.477 50 30 IKEARN Cc1ccccc1OCc1nc(C#N)c(N2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000027742883 569295459 /nfs/dbraw/zinc/29/54/59/569295459.db2.gz VIHDWQMOWHUCSG-UHFFFAOYSA-N 0 0 430.533 5.427 50 30 IKEARN N#Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000009489949 569296736 /nfs/dbraw/zinc/29/67/36/569296736.db2.gz FUJWULVYCABEQW-FUHWJXTLSA-N 0 0 445.832 5.321 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(-n2cnc3ccccc32)c1Cc1ccc(Cl)cc1 ZINC000009507578 569296978 /nfs/dbraw/zinc/29/69/78/569296978.db2.gz GPJLVTCRANENRU-UHFFFAOYSA-N 0 0 447.929 6.251 50 30 IKEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O ZINC000002393103 569297968 /nfs/dbraw/zinc/29/79/68/569297968.db2.gz ZLUAQRIXKZVWQA-WQRHYEAKSA-N 0 0 441.302 5.654 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc21 ZINC000002393533 569298074 /nfs/dbraw/zinc/29/80/74/569298074.db2.gz LJRKCTDMZOMXGN-UHFFFAOYSA-N 0 0 445.567 5.173 50 30 IKEARN CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3cccs3)N3CCOCC3)o2)CC1 ZINC000027794214 569299390 /nfs/dbraw/zinc/29/93/90/569299390.db2.gz LCHRUEYCJUTOMK-GRERDSQWSA-N 0 0 442.629 5.557 50 30 IKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 ZINC000002401311 569299649 /nfs/dbraw/zinc/29/96/49/569299649.db2.gz VGOSIADERZWOQI-UUYOSTAYSA-N 0 0 436.847 5.193 50 30 IKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000002403117 569299780 /nfs/dbraw/zinc/29/97/80/569299780.db2.gz JYEZQAIALKNHMA-OAQYLSRUSA-N 0 0 448.862 5.057 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002403947 569299838 /nfs/dbraw/zinc/29/98/38/569299838.db2.gz BOMNWZVFMXWIPH-UHFFFAOYSA-N 0 0 449.986 5.569 50 30 IKEARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2ccccc2C)c1=O ZINC000002406797 569300253 /nfs/dbraw/zinc/30/02/53/569300253.db2.gz BNVXKJJPSNQWLM-LQKURTRISA-N 0 0 438.535 5.065 50 30 IKEARN Cc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccccc1 ZINC000002413262 569301094 /nfs/dbraw/zinc/30/10/94/569301094.db2.gz LLAAQIOQSCJUBY-OAQYLSRUSA-N 0 0 436.515 5.267 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002416932 569301490 /nfs/dbraw/zinc/30/14/90/569301490.db2.gz SUVYYFFPZRTPIB-UHFFFAOYSA-N 0 0 429.499 5.393 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c(OC)c1OC ZINC000002417368 569301523 /nfs/dbraw/zinc/30/15/23/569301523.db2.gz HPGLSDJQVRZFIM-UUYOSTAYSA-N 0 0 436.435 5.047 50 30 IKEARN Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)c1 ZINC000002417598 569301620 /nfs/dbraw/zinc/30/16/20/569301620.db2.gz ZRRWCRFZUFIQIJ-NRFANRHFSA-N 0 0 436.515 5.267 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002422142 569302150 /nfs/dbraw/zinc/30/21/50/569302150.db2.gz ZMHXVIADGQALEK-UHFFFAOYSA-N 0 0 435.959 5.510 50 30 IKEARN COc1ccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C#N)cc3)N2)cc1 ZINC000080324783 569302970 /nfs/dbraw/zinc/30/29/70/569302970.db2.gz DOFKCSOVVDYOFQ-UPVQGACJSA-N 0 0 446.348 5.552 50 30 IKEARN COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C#N)cc3)N2)cc1 ZINC000080324787 569302998 /nfs/dbraw/zinc/30/29/98/569302998.db2.gz DOFKCSOVVDYOFQ-VWNXMTODSA-N 0 0 446.348 5.552 50 30 IKEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccccc2OC)cc1OC ZINC000011867663 569303119 /nfs/dbraw/zinc/30/31/19/569303119.db2.gz XBVNMIICLWMPFS-ZRDIBKRKSA-N 0 0 432.472 5.136 50 30 biogenic IKEARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000011869622 569303129 /nfs/dbraw/zinc/30/31/29/569303129.db2.gz IYWSSMMBWIKISM-MTJSOVHGSA-N 0 0 436.847 5.193 50 30 IKEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccccc1Br ZINC000011869777 569303130 /nfs/dbraw/zinc/30/31/30/569303130.db2.gz QSEUVMXYPAVLDG-NHDPSOOVSA-N 0 0 425.253 5.783 50 30 IKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(Br)cc3)ccc2C1=O ZINC000002433687 569303403 /nfs/dbraw/zinc/30/34/03/569303403.db2.gz OLHOLJWABGMOOB-ODLFYWEKSA-N 0 0 427.319 6.014 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002438140 569303867 /nfs/dbraw/zinc/30/38/67/569303867.db2.gz QFATXRXRKQXJBL-UHFFFAOYSA-N 0 0 430.552 5.651 50 30 IKEARN O=C1ON(c2ccccc2)[C@H](c2cccc3ccccc32)N1c1ccc(Cl)c(Cl)c1 ZINC000002442075 569304251 /nfs/dbraw/zinc/30/42/51/569304251.db2.gz GZCATTISNWQGAU-HSZRJFAPSA-N 0 0 435.310 7.224 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002442174 569304276 /nfs/dbraw/zinc/30/42/76/569304276.db2.gz VJGCUXAZTIJLFZ-UHFFFAOYSA-N 0 0 449.986 5.818 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000012865449 569305069 /nfs/dbraw/zinc/30/50/69/569305069.db2.gz IBHLVHLIYYDTRV-ULTXKWAWSA-N 0 0 439.728 8.494 50 30 biogenic IKEARN COc1cccc(C(=O)Nc2ccc([S@@](=O)c3cccc(C(F)(F)F)c3)c(C#N)c2)c1 ZINC000012952871 569305164 /nfs/dbraw/zinc/30/51/64/569305164.db2.gz KHXADZLRNWOGED-WJOKGBTCSA-N 0 0 444.434 5.005 50 30 IKEARN COc1cccc(/C=C/c2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1 ZINC000012952839 569305216 /nfs/dbraw/zinc/30/52/16/569305216.db2.gz VMGHROQOQSBDBU-BUHFOSPRSA-N 0 0 432.454 6.150 50 30 IKEARN CCCc1cc(SCC(=O)c2ccc(OC)c(OC)c2)n2c3ccccc3nc2c1C#N ZINC000002452886 569305323 /nfs/dbraw/zinc/30/53/23/569305323.db2.gz CQPZUFJVOFLXEC-UHFFFAOYSA-N 0 0 445.544 5.304 50 30 IKEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000013014241 569306315 /nfs/dbraw/zinc/30/63/15/569306315.db2.gz MWNONHQLNVGGRZ-KRWDZBQOSA-N 0 0 443.503 5.953 50 30 IKEARN N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000013018121 569307142 /nfs/dbraw/zinc/30/71/42/569307142.db2.gz YNIKJMGORJMPEE-UHFFFAOYSA-N 0 0 443.503 5.433 50 30 IKEARN N#Cc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000013096968 569309299 /nfs/dbraw/zinc/30/92/99/569309299.db2.gz FPWMRBURXTUZJF-OAQYLSRUSA-N 0 0 429.907 5.020 50 30 IKEARN Cc1ccc2sc(N(Cc3ccccc3)C(=O)COc3ccc(C#N)cc3)nc2c1C ZINC000013116990 569310112 /nfs/dbraw/zinc/31/01/12/569310112.db2.gz AJJIPISRRPHWHW-UHFFFAOYSA-N 0 0 427.529 5.397 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2ccccc2N2CCCC2)c1C#N ZINC000013126880 569311005 /nfs/dbraw/zinc/31/10/05/569311005.db2.gz QYFOMVZYZXBIMZ-UHFFFAOYSA-N 0 0 447.627 5.153 50 30 IKEARN Cc1cccc(-c2cc(/C=C/c3ccc4c(c3)OCCO4)c(C#N)c3nc4ccccc4n32)c1 ZINC000013139019 569311547 /nfs/dbraw/zinc/31/15/47/569311547.db2.gz DTAVOZYLINOMNV-PKNBQFBNSA-N 0 0 443.506 6.276 50 30 IKEARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2Cl)n2c3ccccc3nc2c1C#N ZINC000013148735 569312151 /nfs/dbraw/zinc/31/21/51/569312151.db2.gz BGLKIZSAVLPRSI-UHFFFAOYSA-N 0 0 441.343 5.705 50 30 IKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CC[C@H](c4ccccc4)C3)C2=O)cc1Cl ZINC000014943707 569316165 /nfs/dbraw/zinc/31/61/65/569316165.db2.gz YJUSQGMRFGOKHB-QSPIDWHTSA-N 0 0 429.951 5.563 50 30 IKEARN CCCCCc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1 ZINC000019095771 569316342 /nfs/dbraw/zinc/31/63/42/569316342.db2.gz YQDJVRJXBPGLTH-UHFFFAOYSA-N 0 0 435.955 6.273 50 30 IKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019228589 569316558 /nfs/dbraw/zinc/31/65/58/569316558.db2.gz IOGAFSFTYGVAMK-DEOSSOPVSA-N 0 0 431.532 5.043 50 30 IKEARN CC[C@](O)(CNC(=O)c1c(C)cccc1Br)c1ccc(Br)cc1 ZINC000328596516 569317984 /nfs/dbraw/zinc/31/79/84/569317984.db2.gz YWHMYGPYLTXMDN-SFHVURJKSA-N 0 0 441.163 5.122 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S ZINC000013940392 569321733 /nfs/dbraw/zinc/32/17/33/569321733.db2.gz UYMAFEQIEITCKE-WQRHYEAKSA-N 0 0 436.385 5.960 50 30 IKEARN CSc1nc(Nc2ccc(N3CCC(C)CC3)cc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820703 569330012 /nfs/dbraw/zinc/33/00/12/569330012.db2.gz UWDIFQBVGFSBRU-UHFFFAOYSA-N 0 0 429.593 6.026 50 30 IKEARN COC(=O)c1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 ZINC000019820361 569330015 /nfs/dbraw/zinc/33/00/15/569330015.db2.gz DKVFUKRJNHFYCZ-UHFFFAOYSA-N 0 0 432.549 5.565 50 30 IKEARN N#Cc1c(Cl)nc(Cl)c(Cl)c1N(Cc1ccccc1)Cc1ccccc1Cl ZINC000019831053 569330183 /nfs/dbraw/zinc/33/01/83/569330183.db2.gz WQAQALIZGBRQGF-UHFFFAOYSA-N 0 0 437.157 6.774 50 30 IKEARN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1CSc1ccc(Cl)cc1 ZINC000019841897 569330253 /nfs/dbraw/zinc/33/02/53/569330253.db2.gz LUHCUJWPNKMMMO-UHFFFAOYSA-N 0 0 434.008 6.644 50 30 IKEARN COc1ccc(Cc2cc(C(F)(F)F)c(C#N)c(SCc3cccnc3)n2)cc1OC ZINC000019853601 569330396 /nfs/dbraw/zinc/33/03/96/569330396.db2.gz SDFLBAMKCGSOKJ-UHFFFAOYSA-N 0 0 445.466 5.267 50 30 IKEARN N#Cc1c(N[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)sc2c1CCCC2 ZINC000019881068 569331519 /nfs/dbraw/zinc/33/15/19/569331519.db2.gz JGVNLFXVTHMFCW-QFIPXVFZSA-N 0 0 449.963 5.203 50 30 IKEARN COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1COc1ccc(Cl)cc1 ZINC000019894078 569331629 /nfs/dbraw/zinc/33/16/29/569331629.db2.gz VSDUCNSGSYJZTI-UHFFFAOYSA-N 0 0 426.925 5.730 50 30 IKEARN CC(C)OC(=O)CC(=O)CSc1nc(-c2cccc(F)c2)cc(-c2ccccc2)c1C#N ZINC000019898426 569331924 /nfs/dbraw/zinc/33/19/24/569331924.db2.gz PSKLAYCPZQQFHQ-UHFFFAOYSA-N 0 0 448.519 5.429 50 30 IKEARN C=CCc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000020032281 569332512 /nfs/dbraw/zinc/33/25/12/569332512.db2.gz WZBVRUNTIHVDRA-ZQCYNNBZSA-N 0 0 445.544 5.088 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccccc2Cl)CC1 ZINC000020057782 569332741 /nfs/dbraw/zinc/33/27/41/569332741.db2.gz ZTIULDVWBODZKW-UHFFFAOYSA-N 0 0 443.982 5.206 50 30 IKEARN C=C(C/C=C(\C)CCC=C(C)C)C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000020111724 569334620 /nfs/dbraw/zinc/33/46/20/569334620.db2.gz XHSRFCRGSWRBSP-VGPFOZRTSA-N 0 0 425.569 5.551 50 30 biogenic IKEARN CC(C)(C)C1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1 ZINC000020115624 569335018 /nfs/dbraw/zinc/33/50/18/569335018.db2.gz GJPNFLXGGBWMEJ-QUMQEAAQSA-N 0 0 435.341 7.764 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)c(C)c3)S2(=O)=O)c1 ZINC000020132845 569335397 /nfs/dbraw/zinc/33/53/97/569335397.db2.gz RWSRVELJRXLNMF-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000020134466 569335695 /nfs/dbraw/zinc/33/56/95/569335695.db2.gz YJBDEUABQBLSAD-LJQANCHMSA-N 0 0 437.609 5.487 50 30 IKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000020134470 569335722 /nfs/dbraw/zinc/33/57/22/569335722.db2.gz YJBDEUABQBLSAD-IBGZPJMESA-N 0 0 437.609 5.487 50 30 IKEARN COc1ccc([C@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134797 569335773 /nfs/dbraw/zinc/33/57/73/569335773.db2.gz GIHWLBZUBFIBJV-HXUWFJFHSA-N 0 0 444.491 5.194 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)ON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020218510 569356709 /nfs/dbraw/zinc/35/67/09/569356709.db2.gz CVRZSNNXQBBPLZ-UHFFFAOYSA-N 0 0 447.244 5.612 50 30 IKEARN N#Cc1ncn(-c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)c1C#N ZINC000095945028 569375792 /nfs/dbraw/zinc/37/57/92/569375792.db2.gz XYLANJIMNFUUFO-UHFFFAOYSA-N 0 0 448.964 5.055 50 30 IKEARN CC(C)(C)[C@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1ccc(Cl)cc1 ZINC000096579890 569401510 /nfs/dbraw/zinc/40/15/10/569401510.db2.gz OTFAKJFWVGHUCT-CQSZACIVSA-N 0 0 448.766 5.110 50 30 IKEARN O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000096767060 569402323 /nfs/dbraw/zinc/40/23/23/569402323.db2.gz IESRTXRJDRIXBD-LUAWRHEFSA-N 0 0 438.321 5.442 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1OC ZINC000028052537 569406802 /nfs/dbraw/zinc/40/68/02/569406802.db2.gz VHXXFYJDKOXMIE-MZNJEOGPSA-N 0 0 430.504 5.267 50 30 IKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000028052481 569406819 /nfs/dbraw/zinc/40/68/19/569406819.db2.gz KZEZWLRCMNIYKK-BXKMTCNYSA-N 0 0 446.503 5.054 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(F)cc2)cc1OC ZINC000028052539 569406829 /nfs/dbraw/zinc/40/68/29/569406829.db2.gz IOCYXWBLZAIPPU-HJPURHCSSA-N 0 0 434.467 5.098 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052164 569406833 /nfs/dbraw/zinc/40/68/33/569406833.db2.gz AHLJQHUISPHXIK-HXOBKFHXSA-N 0 0 434.923 5.993 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000028052422 569406848 /nfs/dbraw/zinc/40/68/48/569406848.db2.gz YMVQRNONNZPEBD-MZNJEOGPSA-N 0 0 430.504 5.349 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052170 569406861 /nfs/dbraw/zinc/40/68/61/569406861.db2.gz AHLJQHUISPHXIK-GAJHUEQPSA-N 0 0 434.923 5.993 50 30 IKEARN c1ccc(/N=C(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)c2ccccc2)cc1 ZINC000028120247 569407904 /nfs/dbraw/zinc/40/79/04/569407904.db2.gz MWOQGFNFLXDBTO-WSECFMCKSA-N 0 0 432.552 6.280 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(CC)cc3)c2c1 ZINC000028182402 569408595 /nfs/dbraw/zinc/40/85/95/569408595.db2.gz PMRFLCBGGJWRLT-UHFFFAOYSA-N 0 0 441.527 6.878 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3Cl)c2c1 ZINC000028182404 569408638 /nfs/dbraw/zinc/40/86/38/569408638.db2.gz PDZNLGYRDURNRA-UHFFFAOYSA-N 0 0 447.918 6.969 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21 ZINC000028182792 569408717 /nfs/dbraw/zinc/40/87/17/569408717.db2.gz MMZUPYWJHZJXHG-GWGZVGKXSA-N 0 0 446.547 5.366 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2ccccc21 ZINC000028182630 569408788 /nfs/dbraw/zinc/40/87/88/569408788.db2.gz FPSKOHSZTNPLJA-XKZIYDEJSA-N 0 0 433.504 5.306 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 ZINC000028182840 569408963 /nfs/dbraw/zinc/40/89/63/569408963.db2.gz NZJVEMLDYNICJQ-YFLRDDLESA-N 0 0 430.548 5.461 50 30 IKEARN COc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)c2C#N)cc1OC ZINC000002581556 569410055 /nfs/dbraw/zinc/41/00/55/569410055.db2.gz CPORRADJORVWCB-UHFFFAOYSA-N 0 0 434.293 5.126 50 30 IKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000002602898 569410150 /nfs/dbraw/zinc/41/01/50/569410150.db2.gz RPJIHVNIMSZMPB-UHFFFAOYSA-N 0 0 427.972 5.751 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O ZINC000002618968 569410651 /nfs/dbraw/zinc/41/06/51/569410651.db2.gz CWUQHJVMHLIYPO-LBPRGKRZSA-N 0 0 434.348 5.009 50 30 IKEARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1 ZINC000215683157 569411978 /nfs/dbraw/zinc/41/19/78/569411978.db2.gz ZSIQWMODTAAERP-BETUJISGSA-N 0 0 439.528 5.297 50 30 IKEARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1 ZINC000215683266 569411997 /nfs/dbraw/zinc/41/19/97/569411997.db2.gz ZSIQWMODTAAERP-CHWSQXEVSA-N 0 0 439.528 5.297 50 30 IKEARN O=C(CSc1ccccc1/N=C/c1cccnc1Cl)Nc1cccc2ccccc21 ZINC000215721497 569413525 /nfs/dbraw/zinc/41/35/25/569413525.db2.gz MAHJEORWWGWMPD-JFLMPSFJSA-N 0 0 431.948 6.370 50 30 IKEARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1/N=C/c1cccnc1Cl ZINC000215719560 569413569 /nfs/dbraw/zinc/41/35/69/569413569.db2.gz PGTXYAHKAXNBKU-PBEVGHANSA-N 0 0 444.387 6.567 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000002644436 569414013 /nfs/dbraw/zinc/41/40/13/569414013.db2.gz YNUKTMGDOYKOOC-UHFFFAOYSA-N 0 0 444.347 5.040 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)sc2C1 ZINC000002728136 569418058 /nfs/dbraw/zinc/41/80/58/569418058.db2.gz CVAAWKFNLNQBEO-GFCCVEGCSA-N 0 0 440.462 5.414 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(F)cccc3Cl)sc2C1 ZINC000002736816 569419075 /nfs/dbraw/zinc/41/90/75/569419075.db2.gz PDUHGYQQRGTWGW-VNDWYCCKSA-N 0 0 430.976 6.605 50 30 IKEARN CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)c2C#N)cc1 ZINC000002739308 569419187 /nfs/dbraw/zinc/41/91/87/569419187.db2.gz CLPDLIRHZNCABD-SFTDATJTSA-N 0 0 434.992 6.881 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1C#N ZINC000002746105 569419809 /nfs/dbraw/zinc/41/98/09/569419809.db2.gz UGMRGPNYNZMBEU-UHFFFAOYSA-N 0 0 431.948 6.612 50 30 IKEARN N#Cc1c(N)n(-c2ccccc2)nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000002758898 569420277 /nfs/dbraw/zinc/42/02/77/569420277.db2.gz OEJQFXVTZRYVNP-UHFFFAOYSA-N 0 0 427.511 6.463 50 30 IKEARN Cc1sc(NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)c(C#N)c1C ZINC000002758256 569420331 /nfs/dbraw/zinc/42/03/31/569420331.db2.gz GVGVWHWKEWFRRQ-UHFFFAOYSA-N 0 0 439.584 7.002 50 30 IKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)c1 ZINC000002769434 569420693 /nfs/dbraw/zinc/42/06/93/569420693.db2.gz KQSRGWDCPIKGDT-UHFFFAOYSA-N 0 0 439.540 5.975 50 30 IKEARN Cn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)n1 ZINC000002779162 569421034 /nfs/dbraw/zinc/42/10/34/569421034.db2.gz GRTNJKGMQCFYFX-UHFFFAOYSA-N 0 0 449.418 5.587 50 30 IKEARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000002784327 569421295 /nfs/dbraw/zinc/42/12/95/569421295.db2.gz WTKXJRCMPYACDY-UHFFFAOYSA-N 0 0 443.318 6.093 50 30 IKEARN CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F ZINC000002792483 569421515 /nfs/dbraw/zinc/42/15/15/569421515.db2.gz BDKOMLFURYDYAF-AWEZNQCLSA-N 0 0 448.535 6.023 50 30 IKEARN CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC ZINC000002792447 569421539 /nfs/dbraw/zinc/42/15/39/569421539.db2.gz UBCZTMJKKKKYAV-QGZVFWFLSA-N 0 0 440.609 5.749 50 30 IKEARN COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1cc(C)ccc1C ZINC000002791600 569421780 /nfs/dbraw/zinc/42/17/80/569421780.db2.gz JZUDKBAQVYPRLN-BHGWPJFGSA-N 0 0 432.496 5.024 50 30 IKEARN N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000002836760 569423176 /nfs/dbraw/zinc/42/31/76/569423176.db2.gz BPRPTQKSKSACMC-UHFFFAOYSA-N 0 0 446.513 5.621 50 30 IKEARN CCCCCCCCNC(=O)c1sc2ncn(Cc3cccc(F)c3)c(=O)c2c1C ZINC000002911172 569424818 /nfs/dbraw/zinc/42/48/18/569424818.db2.gz DMMFBQQLASUYCM-UHFFFAOYSA-N 0 0 429.561 5.044 50 30 IKEARN C=CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2 ZINC000002912786 569424930 /nfs/dbraw/zinc/42/49/30/569424930.db2.gz YDUQPCMHEUBTIQ-UHFFFAOYSA-N 0 0 434.948 5.567 50 30 IKEARN CC(C)c1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 ZINC000057270723 569430275 /nfs/dbraw/zinc/43/02/75/569430275.db2.gz HNBJZBPADCUIAX-HSZRJFAPSA-N 0 0 435.618 5.611 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S ZINC000002965978 569433036 /nfs/dbraw/zinc/43/30/36/569433036.db2.gz SDJHHVOKJHTZSI-WOJGMQOQSA-N 0 0 449.956 5.454 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S ZINC000002986495 569434365 /nfs/dbraw/zinc/43/43/65/569434365.db2.gz HXDMYYUKHZJCCI-PDGQHHTCSA-N 0 0 446.391 5.415 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000003028553 569436476 /nfs/dbraw/zinc/43/64/76/569436476.db2.gz KBJHQTUHWPVYBN-WSDLNYQXSA-N 0 0 443.868 5.858 50 30 IKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2 ZINC000230106317 569437518 /nfs/dbraw/zinc/43/75/18/569437518.db2.gz RGXYSKFXYUNLBJ-TWKFVSLJSA-N 0 0 442.467 5.708 50 30 IKEARN CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1cccc(Cl)c1)c2C ZINC000003033479 569437903 /nfs/dbraw/zinc/43/79/03/569437903.db2.gz DFEQLWBQZHFVDP-UHFFFAOYSA-N 0 0 426.992 5.681 50 30 IKEARN CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003041340 569438416 /nfs/dbraw/zinc/43/84/16/569438416.db2.gz ABVDYVYYMYTLAK-QYQHSDTDSA-N 0 0 448.979 5.140 50 30 IKEARN Cc1ccc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1 ZINC000003041589 569438449 /nfs/dbraw/zinc/43/84/49/569438449.db2.gz WVNGFJYWQHJOMA-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000003041854 569438483 /nfs/dbraw/zinc/43/84/83/569438483.db2.gz IVYWKJCVAAUIMD-QYQHSDTDSA-N 0 0 448.979 5.140 50 30 IKEARN Cc1ccc(Cn2cccc2/C=N/NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003048682 569438898 /nfs/dbraw/zinc/43/88/98/569438898.db2.gz OWRXFAMGCNKZHU-OVVQPSECSA-N 0 0 440.572 5.958 50 30 IKEARN Cn1nc(C(F)(F)F)c(COc2ccc(C#N)cc2)c1Oc1cccc(C(F)(F)F)c1 ZINC000003049207 569438927 /nfs/dbraw/zinc/43/89/27/569438927.db2.gz ZFHBZMJGAOGFFG-UHFFFAOYSA-N 0 0 441.331 5.701 50 30 IKEARN O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000003063831 569439650 /nfs/dbraw/zinc/43/96/50/569439650.db2.gz PGPFQMGQQHDTEA-QLYXXIJNSA-N 0 0 445.733 6.115 50 30 IKEARN CCCCC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000003064373 569439679 /nfs/dbraw/zinc/43/96/79/569439679.db2.gz CPIBAZODPLDQCT-XHPQRKPJSA-N 0 0 438.833 5.343 50 30 IKEARN CC(=O)Oc1c(Br)cc(/C=N/c2ccc(Cl)cc2)cc1Br ZINC000003082666 569439948 /nfs/dbraw/zinc/43/99/48/569439948.db2.gz ROJMMKPSSUBOJQ-UFWORHAWSA-N 0 0 431.511 5.541 50 30 IKEARN COc1ccccc1/N=C/c1ccc(OC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000003081530 569439949 /nfs/dbraw/zinc/43/99/49/569439949.db2.gz KNARUIQLXBEJGB-FCMREFMGSA-N 0 0 436.305 5.827 50 30 IKEARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000057589891 569439969 /nfs/dbraw/zinc/43/99/69/569439969.db2.gz LHVPKWLJSJYRAH-RUZDIDTESA-N 0 0 427.504 5.515 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1 ZINC000230211266 569440133 /nfs/dbraw/zinc/44/01/33/569440133.db2.gz NOASPRHBQUYARN-RBZQAINGSA-N 0 0 436.902 5.019 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000003100781 569440201 /nfs/dbraw/zinc/44/02/01/569440201.db2.gz BLERJTVSKPHGNG-QFIPXVFZSA-N 0 0 438.524 5.075 50 30 IKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000003114038 569440406 /nfs/dbraw/zinc/44/04/06/569440406.db2.gz PEYDLQDIJWYAJS-UVHMKAGCSA-N 0 0 433.294 7.411 50 30 IKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(C)c1Cl ZINC000003113685 569440411 /nfs/dbraw/zinc/44/04/11/569440411.db2.gz PKZPHXIRNWCPMR-CCVNUDIWSA-N 0 0 426.903 7.374 50 30 IKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2sccc2C)[C@@H]3c2ccccc2)cc1 ZINC000003133481 569440717 /nfs/dbraw/zinc/44/07/17/569440717.db2.gz CKXIMKVRRMPBQZ-LMTOTAIGSA-N 0 0 438.548 7.269 50 30 IKEARN Cc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000003133437 569440726 /nfs/dbraw/zinc/44/07/26/569440726.db2.gz ALEFMTZWRAUYNF-HPFVHPJRSA-N 0 0 436.938 7.853 50 30 IKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2sccc2C)[C@H]3c2ccccc2)cc1 ZINC000003133479 569440739 /nfs/dbraw/zinc/44/07/39/569440739.db2.gz CKXIMKVRRMPBQZ-FGSNJIQSSA-N 0 0 438.548 7.269 50 30 IKEARN N#Cc1c(NC(=O)c2ccccc2)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1 ZINC000003167681 569441091 /nfs/dbraw/zinc/44/10/91/569441091.db2.gz VLEPGVHNQOSRTD-UHFFFAOYSA-N 0 0 445.566 7.451 50 30 IKEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 ZINC000003176700 569441255 /nfs/dbraw/zinc/44/12/55/569441255.db2.gz KGUUUCAXUOTFBH-UHFFFAOYSA-N 0 0 425.513 5.319 50 30 IKEARN COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c1O ZINC000003184587 569441377 /nfs/dbraw/zinc/44/13/77/569441377.db2.gz QOEQRJXRNVLSOW-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN CC(C)(C)c1ccc(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CCC2)cc1 ZINC000003191369 569441495 /nfs/dbraw/zinc/44/14/95/569441495.db2.gz HFQGCYLHKDEKNX-UHFFFAOYSA-N 0 0 425.506 5.806 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(c1ccc(F)cc1)=N2 ZINC000003199361 569441586 /nfs/dbraw/zinc/44/15/86/569441586.db2.gz GCMAUYHEFSOPME-UHFFFAOYSA-N 0 0 443.322 5.748 50 30 IKEARN Cc1nc(S[C@@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1 ZINC000003211730 569441714 /nfs/dbraw/zinc/44/17/14/569441714.db2.gz XCMYZNBHYABUBR-LJQANCHMSA-N 0 0 447.585 5.846 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003244959 569442680 /nfs/dbraw/zinc/44/26/80/569442680.db2.gz DSERIKSIZMCJCM-HHHXNRCGSA-N 0 0 449.531 6.490 50 30 IKEARN COc1ccc(C(=O)C2=C3SC=C(c4ccc(Br)cc4)N3CC2)cc1OC ZINC000003265838 569443394 /nfs/dbraw/zinc/44/33/94/569443394.db2.gz RXYVNVZBKHWQAI-UHFFFAOYSA-N 0 0 444.350 5.312 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003284264 569443995 /nfs/dbraw/zinc/44/39/95/569443995.db2.gz NUPBKMRCQIMIEI-UHFFFAOYSA-N 0 0 433.621 6.329 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 ZINC000003283810 569444030 /nfs/dbraw/zinc/44/40/30/569444030.db2.gz CYAXPKGJAYAHEP-SFHVURJKSA-N 0 0 441.531 5.053 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1 ZINC000003290852 569444428 /nfs/dbraw/zinc/44/44/28/569444428.db2.gz KDPQQYZPAZNJML-INIZCTEOSA-N 0 0 447.560 5.114 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nnc1-c1ccncc1 ZINC000003304403 569445160 /nfs/dbraw/zinc/44/51/60/569445160.db2.gz LUCGZBIRQNFUMC-UHFFFAOYSA-N 0 0 447.539 5.048 50 30 IKEARN N#Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)oc(-c2ccco2)c1-c1ccco1 ZINC000003304797 569445184 /nfs/dbraw/zinc/44/51/84/569445184.db2.gz IWEWOCCLCGTDNT-UHFFFAOYSA-N 0 0 448.434 6.548 50 30 IKEARN Cc1ccc(-c2oc(NC(=O)[C@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000003307074 569445278 /nfs/dbraw/zinc/44/52/78/569445278.db2.gz IWECEVKYRJSXQW-FQEVSTJZSA-N 0 0 436.511 6.508 50 30 IKEARN N#CCCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000003314653 569445665 /nfs/dbraw/zinc/44/56/65/569445665.db2.gz QQQCJCBDTGOEFH-UHFFFAOYSA-N 0 0 435.483 5.005 50 30 IKEARN Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000003323497 569445970 /nfs/dbraw/zinc/44/59/70/569445970.db2.gz BWSSZCYWHAYZLQ-UHFFFAOYSA-N 0 0 438.600 6.704 50 30 IKEARN N#CCCSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003330379 569446415 /nfs/dbraw/zinc/44/64/15/569446415.db2.gz HBXUQERWHOYMLO-UHFFFAOYSA-N 0 0 443.281 6.266 50 30 IKEARN N#Cc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000003337178 569446727 /nfs/dbraw/zinc/44/67/27/569446727.db2.gz MKKRIGYZHIHREC-UHFFFAOYSA-N 0 0 436.949 5.614 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000003353607 569447534 /nfs/dbraw/zinc/44/75/34/569447534.db2.gz IIPUGRXWMHIORJ-KRWDZBQOSA-N 0 0 444.556 5.058 50 30 IKEARN N#Cc1ccc(C(=O)N(c2nc3ccccc3s2)c2ccc(SC(F)F)cc2)cc1 ZINC000003353708 569447556 /nfs/dbraw/zinc/44/75/56/569447556.db2.gz VHSLJCUNWYRZOC-UHFFFAOYSA-N 0 0 437.496 6.461 50 30 IKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000003367910 569448220 /nfs/dbraw/zinc/44/82/20/569448220.db2.gz HZLLLEHYRBYAIJ-UHFFFAOYSA-N 0 0 434.392 6.205 50 30 IKEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000003380019 569448789 /nfs/dbraw/zinc/44/87/89/569448789.db2.gz WOURFGRCNFJRLC-UHFFFAOYSA-N 0 0 428.488 5.199 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1cccc(C)c1 ZINC000003411698 569450111 /nfs/dbraw/zinc/45/01/11/569450111.db2.gz CCIDKQFDVNFGCW-UHFFFAOYSA-N 0 0 446.576 5.474 50 30 IKEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003432866 569450905 /nfs/dbraw/zinc/45/09/05/569450905.db2.gz YLQATRWYKPIGIG-UHFFFAOYSA-N 0 0 449.557 5.820 50 30 IKEARN N#Cc1ccc(N2CCC(C(=O)Nc3cccc(-c4ccc5ccccc5c4)n3)CC2)nc1 ZINC000058244511 569451505 /nfs/dbraw/zinc/45/15/05/569451505.db2.gz VTDQNUVGJIZZCC-UHFFFAOYSA-N 0 0 433.515 5.024 50 30 IKEARN CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1Cl ZINC000003587268 569454521 /nfs/dbraw/zinc/45/45/21/569454521.db2.gz CJCRMZNXBKATAJ-MFKUBSTISA-N 0 0 425.001 5.635 50 30 IKEARN Cc1cc(C)c(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)c(C)c1 ZINC000003587563 569454526 /nfs/dbraw/zinc/45/45/26/569454526.db2.gz HYHSPCDTLPWHCJ-BRJLIKDPSA-N 0 0 428.964 5.575 50 30 IKEARN COc1ccc(Nc2nc(N=NC=CCc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000003660089 569455849 /nfs/dbraw/zinc/45/58/49/569455849.db2.gz AROHLYUXTQFJPZ-QJBYRTJNSA-N 0 0 437.507 5.479 50 30 IKEARN CCCOc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1 ZINC000004015890 569458164 /nfs/dbraw/zinc/45/81/64/569458164.db2.gz WYIGXMWSNDTVFP-TURZUDJPSA-N 0 0 438.531 5.775 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(F)cc2)N(C2CCCCC2)C1=O ZINC000004082107 569458725 /nfs/dbraw/zinc/45/87/25/569458725.db2.gz RBDMRKYPGQLHFZ-JXAXBCJLSA-N 0 0 439.581 6.133 50 30 IKEARN COc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1ccccc1Cl ZINC000004145517 569460442 /nfs/dbraw/zinc/46/04/42/569460442.db2.gz NIBQCEQNPTYJGC-UHFFFAOYSA-N 0 0 432.936 5.760 50 30 IKEARN CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N ZINC000059278044 569460713 /nfs/dbraw/zinc/46/07/13/569460713.db2.gz WRGKROVGVSWJMI-UHFFFAOYSA-N 0 0 445.910 5.458 50 30 IKEARN COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccccc2OC)cc1 ZINC000004184045 569460762 /nfs/dbraw/zinc/46/07/62/569460762.db2.gz HTDVPRGASRBTCZ-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)c1 ZINC000004211654 569460985 /nfs/dbraw/zinc/46/09/85/569460985.db2.gz IQIJQAUVERUEFX-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000066437800 569462172 /nfs/dbraw/zinc/46/21/72/569462172.db2.gz KOQGHAVCVAOWLU-UHFFFAOYSA-N 0 0 434.902 5.401 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437752 569462186 /nfs/dbraw/zinc/46/21/86/569462186.db2.gz WATFROPVJYGVGN-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 ZINC000066437728 569462191 /nfs/dbraw/zinc/46/21/91/569462191.db2.gz LJRVCCMRHQIBQC-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437712 569462207 /nfs/dbraw/zinc/46/22/07/569462207.db2.gz CJPDUWPNADSXER-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN CCCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)cc1 ZINC000008383690 569462649 /nfs/dbraw/zinc/46/26/49/569462649.db2.gz ZEKHYCOBVASXFI-QFIPXVFZSA-N 0 0 437.624 6.718 50 30 IKEARN Cc1cc(C)cc(C#C/C=C/c2cc3c(-c4cc(C)cc(C)c4)cccc3c3ccccc23)c1 ZINC000008384068 569462670 /nfs/dbraw/zinc/46/26/70/569462670.db2.gz MTEFTDGYUVZCHJ-IZZDOVSWSA-N 0 0 436.598 8.959 50 30 IKEARN Cc1ccc(N2C(=S)N=C(Nc3ccc(C)c(Br)c3)C23CCCCC3)cc1 ZINC000008387267 569462733 /nfs/dbraw/zinc/46/27/33/569462733.db2.gz LIWMOUWWRFKXIJ-UHFFFAOYSA-N 0 0 442.426 6.194 50 30 IKEARN O=C(NC(Nc1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000008445352 569464797 /nfs/dbraw/zinc/46/47/97/569464797.db2.gz UBRWWMPPNYIHAL-UHFFFAOYSA-N 0 0 446.269 5.248 50 30 IKEARN COC(=O)[C@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)c1ccccc1 ZINC000008451267 569465119 /nfs/dbraw/zinc/46/51/19/569465119.db2.gz CWKQEQWNBPDTFO-HSZRJFAPSA-N 0 0 442.565 6.355 50 30 IKEARN FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 ZINC000008717914 569471190 /nfs/dbraw/zinc/47/11/90/569471190.db2.gz YITVXXLADOFRTC-RPPGKUMJSA-N 0 0 446.885 6.278 50 30 IKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Br)cc1 ZINC000008733528 569472489 /nfs/dbraw/zinc/47/24/89/569472489.db2.gz YINCKGVZGZNBRC-UHFFFAOYSA-N 0 0 436.161 6.841 50 30 IKEARN COc1ccc(-c2cc(C3CC3)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C#N)cc1 ZINC000008767086 569474896 /nfs/dbraw/zinc/47/48/96/569474896.db2.gz HFTMMGFZYCKVFI-UHFFFAOYSA-N 0 0 448.460 5.474 50 30 IKEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 ZINC000008771115 569475170 /nfs/dbraw/zinc/47/51/70/569475170.db2.gz KQBBOLGGRBDANO-XLVZBRSZSA-N 0 0 438.527 6.541 50 30 IKEARN Cc1ccc([S@](=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1 ZINC000008781511 569475641 /nfs/dbraw/zinc/47/56/41/569475641.db2.gz FPUBFIBFUHAENF-MUUNZHRXSA-N 0 0 429.328 5.593 50 30 IKEARN Clc1ccc(-c2nc3sccn3c2/C=N/OCc2c(Cl)cccc2Cl)cc1 ZINC000008782210 569475768 /nfs/dbraw/zinc/47/57/68/569475768.db2.gz UDXFACQSWZNAMX-AUEPDCJTSA-N 0 0 436.751 6.574 50 30 IKEARN Cc1ccc(C(=O)O/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1 ZINC000008782139 569475777 /nfs/dbraw/zinc/47/57/77/569475777.db2.gz XQDGDQVVTQISQW-VULFUBBASA-N 0 0 449.963 6.094 50 30 IKEARN CC(C)(C)c1ccc(CSc2nc3c(c(-c4ccc(Cl)cc4)c2C#N)CCC3)cc1 ZINC000008809624 569476535 /nfs/dbraw/zinc/47/65/35/569476535.db2.gz IZODHYBXWNNZDP-UHFFFAOYSA-N 0 0 433.020 7.352 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2Cl)nc1SCc1ccc(F)c(F)c1 ZINC000008809666 569476555 /nfs/dbraw/zinc/47/65/55/569476555.db2.gz ZQWKRFLQEMOOQI-UHFFFAOYSA-N 0 0 448.925 7.511 50 30 IKEARN COCc1cc(C)nc(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)c1C#N ZINC000008809807 569476591 /nfs/dbraw/zinc/47/65/91/569476591.db2.gz MRYGXWYWVUFJPB-XODNFHPESA-N 0 0 443.938 5.511 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008816877 569476829 /nfs/dbraw/zinc/47/68/29/569476829.db2.gz KRKPXPKHYCRIDG-QHCPKHFHSA-N 0 0 426.516 5.470 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008817686 569476935 /nfs/dbraw/zinc/47/69/35/569476935.db2.gz UGRMMBSACGWDRF-HXUWFJFHSA-N 0 0 446.553 5.758 50 30 IKEARN CCOc1ccc(NC2=CC(=C3C=CC(=O)C=C3)C=C(OCC)c3c(C)oc(C)c32)cc1 ZINC000008818249 569477007 /nfs/dbraw/zinc/47/70/07/569477007.db2.gz UCQDQXSTNAKNEI-UHFFFAOYSA-N 0 0 429.516 6.131 50 30 IKEARN N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000008826423 569477542 /nfs/dbraw/zinc/47/75/42/569477542.db2.gz WUCMEJGUBJBTTA-HSZRJFAPSA-N 0 0 436.475 5.630 50 30 IKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000008827437 569477600 /nfs/dbraw/zinc/47/76/00/569477600.db2.gz VPBQKMPLLZBNJV-OAQYLSRUSA-N 0 0 444.512 5.181 50 30 IKEARN C=CCn1c2nc3ccccc3nc2c(C(=O)OCCCCC)c1NC(=O)c1ccccc1 ZINC000008836016 569478056 /nfs/dbraw/zinc/47/80/56/569478056.db2.gz BWOZJMAKDUMVFT-UHFFFAOYSA-N 0 0 442.519 5.370 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008838305 569478307 /nfs/dbraw/zinc/47/83/07/569478307.db2.gz POIBZPPLXLSUFL-JOCHJYFZSA-N 0 0 440.524 5.696 50 30 IKEARN COc1ccc(CCNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 ZINC000008844513 569478599 /nfs/dbraw/zinc/47/85/99/569478599.db2.gz BNBFEKUQGXNLCY-UHFFFAOYSA-N 0 0 449.894 5.702 50 30 IKEARN CCN(CC)c1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000008844388 569478603 /nfs/dbraw/zinc/47/86/03/569478603.db2.gz YIXGFPLBVOXWJR-VXLYETTFSA-N 0 0 448.588 5.538 50 30 IKEARN Cc1ccc2c(ccc3c2[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N3)n1 ZINC000008846657 569479121 /nfs/dbraw/zinc/47/91/21/569479121.db2.gz WJEPMVOKOODBNE-QFIPXVFZSA-N 0 0 437.370 7.051 50 30 IKEARN Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c(Cl)c1 ZINC000008855355 569479682 /nfs/dbraw/zinc/47/96/82/569479682.db2.gz KAGPQUHCKDXDLY-OPEKNORGSA-N 0 0 430.722 6.512 50 30 IKEARN O=C1/C(=N/Nc2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000008857240 569479834 /nfs/dbraw/zinc/47/98/34/569479834.db2.gz VGHHOQNJJSIINS-QLYXXIJNSA-N 0 0 441.472 5.297 50 30 IKEARN COc1ccc(N/N=C2\Sc3nc(-c4ccccc4)c(-c4ccccc4)n3C2=O)cc1 ZINC000008857242 569479884 /nfs/dbraw/zinc/47/98/84/569479884.db2.gz VRUKLBRJXUUFHS-QYQHSDTDSA-N 0 0 426.501 5.397 50 30 IKEARN Cc1ccc(C(=O)Nc2sc(N=NCc3ccc(O)cc3)nc2-c2ccc(C)cc2)cc1 ZINC000008867493 569480241 /nfs/dbraw/zinc/48/02/41/569480241.db2.gz IXWWPOFRVMUHEY-CVKSISIWSA-N 0 0 442.544 5.831 50 30 IKEARN C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1 ZINC000008869655 569480484 /nfs/dbraw/zinc/48/04/84/569480484.db2.gz XMADWHRVMGSSLZ-VWLOTQADSA-N 0 0 437.495 5.724 50 30 IKEARN COc1ccc(-c2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2C#N)cc1 ZINC000039629878 569481830 /nfs/dbraw/zinc/48/18/30/569481830.db2.gz WDSMAEUTSUZYPD-UHFFFAOYSA-N 0 0 439.540 5.131 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000008883649 569483020 /nfs/dbraw/zinc/48/30/20/569483020.db2.gz HDDGRPHOCACWHU-QFIPXVFZSA-N 0 0 436.920 5.227 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c1C ZINC000008886305 569483194 /nfs/dbraw/zinc/48/31/94/569483194.db2.gz NWCLVJQCBKLLNE-VGSWGCGISA-N 0 0 449.624 5.671 50 30 IKEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSc2nc3ccccc3nc2C)c1C#N ZINC000040052106 569484503 /nfs/dbraw/zinc/48/45/03/569484503.db2.gz SOECAPVZKQDBLM-UHFFFAOYSA-N 0 0 441.560 5.007 50 30 IKEARN C=CCOc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1 ZINC000008915591 569485568 /nfs/dbraw/zinc/48/55/68/569485568.db2.gz SWSWSWGJJBWXGI-HKOYGPOVSA-N 0 0 439.511 6.603 50 30 IKEARN COc1cc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc(OC)c1OC ZINC000008917877 569486141 /nfs/dbraw/zinc/48/61/41/569486141.db2.gz KSASGEDCUMBJKG-KSEXSDGBSA-N 0 0 446.499 5.524 50 30 biogenic IKEARN CCCC(=O)C1=C(Nc2ccc(N=Nc3ccccc3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000008925992 569487191 /nfs/dbraw/zinc/48/71/91/569487191.db2.gz PZYULESMBJJFGN-IFQZSBTPSA-N 0 0 447.535 5.925 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)c(C)c1 ZINC000008934253 569487930 /nfs/dbraw/zinc/48/79/30/569487930.db2.gz WKOKHHOWWHAYEC-SDHSZQHLSA-N 0 0 435.552 5.649 50 30 IKEARN CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000008951397 569489865 /nfs/dbraw/zinc/48/98/65/569489865.db2.gz UNEWJJCUZQOVOH-FVOVHSBVSA-N 0 0 441.003 5.097 50 30 IKEARN Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008951462 569489869 /nfs/dbraw/zinc/48/98/69/569489869.db2.gz DCBHFERBBOPWPG-QQZPLFJDSA-N 0 0 449.001 5.344 50 30 IKEARN Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008951461 569489888 /nfs/dbraw/zinc/48/98/88/569489888.db2.gz DCBHFERBBOPWPG-ORWNMUSCSA-N 0 0 449.001 5.344 50 30 IKEARN COc1ccc(Br)cc1/C=N/c1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC000008951880 569489933 /nfs/dbraw/zinc/48/99/33/569489933.db2.gz LVZRFFKSKJJDQO-WGOQTCKBSA-N 0 0 446.348 6.369 50 30 IKEARN Cc1ccccc1OCCn1cc(/C=N/NC(=S)NCc2ccccc2)c2ccccc21 ZINC000008983838 569494675 /nfs/dbraw/zinc/49/46/75/569494675.db2.gz IDTJHOFVYDVESK-MTDXEUNCSA-N 0 0 442.588 5.027 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000008985409 569494758 /nfs/dbraw/zinc/49/47/58/569494758.db2.gz JTPGPCPTIZVXAF-NRFANRHFSA-N 0 0 439.552 5.526 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1OC ZINC000008992376 569495381 /nfs/dbraw/zinc/49/53/81/569495381.db2.gz OJCMJHHYLMMUOT-UHFFFAOYSA-N 0 0 448.441 6.088 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4C)ccc3C1=O)cn2C ZINC000008992669 569495385 /nfs/dbraw/zinc/49/53/85/569495385.db2.gz UJMJQPLDIWJCEY-BRJLIKDPSA-N 0 0 439.467 5.331 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c2ccccc21 ZINC000008993295 569495408 /nfs/dbraw/zinc/49/54/08/569495408.db2.gz GMYIKSWZXHAZKK-ZVHZXABRSA-N 0 0 445.496 5.045 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1OC ZINC000009019003 569496863 /nfs/dbraw/zinc/49/68/63/569496863.db2.gz WLEOBYFYPYTMKM-JOCHJYFZSA-N 0 0 449.890 5.140 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000009030824 569497108 /nfs/dbraw/zinc/49/71/08/569497108.db2.gz RWBUZTSQHYLNPR-XLNRJJMWSA-N 0 0 442.471 6.338 50 30 IKEARN CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccco3)c3c(c21)CC(C)(C)OC3 ZINC000009057783 569499209 /nfs/dbraw/zinc/49/92/09/569499209.db2.gz FHFDTDZSGREJTL-FSJBWODESA-N 0 0 428.510 5.281 50 30 IKEARN COc1cc2c(cc1OC)C(=CC(=O)c1cc(-c3cccs3)nc3ccccc31)NCC2 ZINC000009058988 569499282 /nfs/dbraw/zinc/49/92/82/569499282.db2.gz BMVIHEOIHXECFC-QNGOZBTKSA-N 0 0 442.540 5.350 50 30 IKEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCCc1ccccc1 ZINC000009065458 569499661 /nfs/dbraw/zinc/49/96/61/569499661.db2.gz HXZCTARDRJIIEL-JOCHJYFZSA-N 0 0 443.595 5.002 50 30 IKEARN CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000009069476 569500130 /nfs/dbraw/zinc/50/01/30/569500130.db2.gz OYFFFEZXIFESOA-VXPUYCOJSA-N 0 0 429.516 6.015 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cn(Cc2ccccc2)c2ccccc12 ZINC000009076594 569500331 /nfs/dbraw/zinc/50/03/31/569500331.db2.gz RMLBGMFCDVYUDB-GDLZYMKVSA-N 0 0 447.582 6.912 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cn(Cc2ccccc2)c2ccccc12 ZINC000009076593 569500376 /nfs/dbraw/zinc/50/03/76/569500376.db2.gz RMLBGMFCDVYUDB-LJAQVGFWSA-N 0 0 447.582 6.912 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000009088963 569500904 /nfs/dbraw/zinc/50/09/04/569500904.db2.gz HSNBXIRHSVPVTM-HSZRJFAPSA-N 0 0 446.934 5.497 50 30 IKEARN O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)c1ccc(Br)cc1 ZINC000009108663 569501876 /nfs/dbraw/zinc/50/18/76/569501876.db2.gz WHQPRQLQICMUCV-CMDGGOBGSA-N 0 0 431.282 5.765 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000009125700 569504682 /nfs/dbraw/zinc/50/46/82/569504682.db2.gz FOMKHISKWOJCAP-UHFFFAOYSA-N 0 0 433.558 5.001 50 30 IKEARN COc1cc2c(cc1OC)C1=C[C@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000009128770 569505508 /nfs/dbraw/zinc/50/55/08/569505508.db2.gz BJQAEPSZBKQFFF-HXUWFJFHSA-N 0 0 433.523 5.483 50 30 IKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 ZINC000009130409 569506048 /nfs/dbraw/zinc/50/60/48/569506048.db2.gz BRBXTEDIMJPHRJ-RUZDIDTESA-N 0 0 446.547 5.257 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@](=O)Cc1ccc(Cl)cc1 ZINC000009130778 569506133 /nfs/dbraw/zinc/50/61/33/569506133.db2.gz LKSDEUWISFYTBY-LJAQVGFWSA-N 0 0 434.973 6.310 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(Br)c3)sc2C1 ZINC000009136302 569507129 /nfs/dbraw/zinc/50/71/29/569507129.db2.gz HIJKFEJSXILTTE-CQSZACIVSA-N 0 0 431.399 6.176 50 30 IKEARN CN(CCN(C)/N=C/c1ccc(Cl)cc1Cl)/N=C/c1ccc(Cl)cc1Cl ZINC000009137066 569507180 /nfs/dbraw/zinc/50/71/80/569507180.db2.gz AYPIVWJEHRSHKT-ASIDMNOUSA-N 0 0 432.182 5.532 50 30 IKEARN N#Cc1c(SCC(=O)c2ccccc2)nc(-c2ccc(Cl)cc2)cc1-c1cccs1 ZINC000009144836 569507397 /nfs/dbraw/zinc/50/73/97/569507397.db2.gz LRQBOAHCLJNGJV-UHFFFAOYSA-N 0 0 446.984 6.977 50 30 IKEARN O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)OCc1ccccc1 ZINC000009158854 569508509 /nfs/dbraw/zinc/50/85/09/569508509.db2.gz HSRAAYBBALNIEF-UUYOSTAYSA-N 0 0 438.838 5.218 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009185633 569510106 /nfs/dbraw/zinc/51/01/06/569510106.db2.gz JREWQHTZTNRSCL-UINIZAEWSA-N 0 0 427.573 6.178 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000009186581 569510263 /nfs/dbraw/zinc/51/02/63/569510263.db2.gz RITAFLIKEAQDTQ-XCZPVHLTSA-N 0 0 438.571 6.791 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000009215678 569512036 /nfs/dbraw/zinc/51/20/36/569512036.db2.gz WPFQZLCDZWOGCW-AHWVRZQESA-N 0 0 430.935 6.456 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 ZINC000009216572 569512156 /nfs/dbraw/zinc/51/21/56/569512156.db2.gz KHMPSGMVRIWTHT-ILBGXUMGSA-N 0 0 427.460 5.402 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)SC1=S ZINC000009310376 569521738 /nfs/dbraw/zinc/52/17/38/569521738.db2.gz IOSPOYIUCWSUSW-GIDUJCDVSA-N 0 0 430.765 6.294 50 30 IKEARN CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000009236592 569514123 /nfs/dbraw/zinc/51/41/23/569514123.db2.gz CNIHVUIBTVCRHV-KEBDBYFISA-N 0 0 426.925 5.483 50 30 IKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009243280 569514888 /nfs/dbraw/zinc/51/48/88/569514888.db2.gz XKQKLJWHSKBKCX-QHCPKHFHSA-N 0 0 446.503 5.335 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)cc2Cl)nc(-c2cccs2)c2c1CCCC2 ZINC000009246848 569515475 /nfs/dbraw/zinc/51/54/75/569515475.db2.gz CFKOHUUDIHXGIT-UHFFFAOYSA-N 0 0 431.413 7.160 50 30 IKEARN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009270876 569517612 /nfs/dbraw/zinc/51/76/12/569517612.db2.gz YSLRDVYZMDKANX-QFIPXVFZSA-N 0 0 433.891 5.522 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000009270329 569517671 /nfs/dbraw/zinc/51/76/71/569517671.db2.gz VUXPEMRNQDGDKF-KMRXNPHXSA-N 0 0 440.518 6.055 50 30 IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000009272082 569517867 /nfs/dbraw/zinc/51/78/67/569517867.db2.gz ZHQYSJCZMJRFFK-NIYFSFCBSA-N 0 0 440.568 6.059 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000009272893 569517996 /nfs/dbraw/zinc/51/79/96/569517996.db2.gz BFUIAKWTQHXSHY-QHCPKHFHSA-N 0 0 431.919 6.246 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000009272805 569518001 /nfs/dbraw/zinc/51/80/01/569518001.db2.gz BGNSDCKQVAQFLK-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000009272627 569518015 /nfs/dbraw/zinc/51/80/15/569518015.db2.gz QOSSRUJFXGWGNB-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009273019 569518062 /nfs/dbraw/zinc/51/80/62/569518062.db2.gz ZMVXXGLRNXCNKH-OAQYLSRUSA-N 0 0 448.862 5.340 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009274634 569518241 /nfs/dbraw/zinc/51/82/41/569518241.db2.gz TUOYNQGJFHENKH-IBGZPJMESA-N 0 0 438.574 5.728 50 30 IKEARN COc1ccc(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 ZINC000009281228 569518588 /nfs/dbraw/zinc/51/85/88/569518588.db2.gz HBBMVCLQIHDTNI-UUYOSTAYSA-N 0 0 427.283 6.197 50 30 IKEARN N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009295715 569520329 /nfs/dbraw/zinc/52/03/29/569520329.db2.gz STRXTFGYIJVORX-XKZIYDEJSA-N 0 0 446.915 6.032 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009301907 569520795 /nfs/dbraw/zinc/52/07/95/569520795.db2.gz JSDYBNDVMQTLCO-NRFANRHFSA-N 0 0 444.487 5.527 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1 ZINC000009303199 569520991 /nfs/dbraw/zinc/52/09/91/569520991.db2.gz FPHSGYSTLOCTAV-PKAZHMFMSA-N 0 0 448.474 6.198 50 30 IKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000009306465 569521348 /nfs/dbraw/zinc/52/13/48/569521348.db2.gz XNCYFTINFGSUNZ-ZWYQHUONSA-N 0 0 444.486 6.589 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 ZINC000009307567 569521393 /nfs/dbraw/zinc/52/13/93/569521393.db2.gz OCQPUSJBQPHUDZ-UHFFFAOYSA-N 0 0 437.355 6.405 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCc2ccccc2)c1Cc1ccccc1Cl ZINC000009308531 569521522 /nfs/dbraw/zinc/52/15/22/569521522.db2.gz OYNMWVWGFNRZBM-UHFFFAOYSA-N 0 0 436.946 6.524 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc(Br)ccc1O ZINC000009308679 569521528 /nfs/dbraw/zinc/52/15/28/569521528.db2.gz ZEBBKFBZIVZSOJ-BRJLIKDPSA-N 0 0 448.324 5.144 50 30 IKEARN C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000009310027 569521680 /nfs/dbraw/zinc/52/16/80/569521680.db2.gz SDKUGTDDYYBFSW-AOYPEHQESA-N 0 0 446.934 6.156 50 30 IKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 ZINC000009331659 569523060 /nfs/dbraw/zinc/52/30/60/569523060.db2.gz IPUYFPMFIOIFJD-CVYRBCPQSA-N 0 0 425.484 5.186 50 30 biogenic IKEARN O=C(/C=C/c1ccc(Cl)cc1)c1cc(F)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009334821 569523203 /nfs/dbraw/zinc/52/32/03/569523203.db2.gz DSSNUZRXMXKFCB-UXBLZVDNSA-N 0 0 425.799 5.503 50 30 IKEARN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000009348389 569524440 /nfs/dbraw/zinc/52/44/40/569524440.db2.gz XGAOTWILJFETRY-BRJLIKDPSA-N 0 0 427.722 6.703 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009359441 569525697 /nfs/dbraw/zinc/52/56/97/569525697.db2.gz FKBCHNZOOUEIAJ-NRFANRHFSA-N 0 0 438.310 6.085 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009370879 569526883 /nfs/dbraw/zinc/52/68/83/569526883.db2.gz QHLYBKWHGDWSFG-OAQYLSRUSA-N 0 0 438.310 6.085 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009373724 569527093 /nfs/dbraw/zinc/52/70/93/569527093.db2.gz VONWDIDJWONXBY-AVRWGWEMSA-N 0 0 439.511 5.097 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009373726 569527152 /nfs/dbraw/zinc/52/71/52/569527152.db2.gz VONWDIDJWONXBY-IQGLISFBSA-N 0 0 439.511 5.097 50 30 IKEARN Cc1c(Cl)cccc1-n1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccncc1 ZINC000009378677 569527659 /nfs/dbraw/zinc/52/76/59/569527659.db2.gz XSRIISHSJKQTBU-UHFFFAOYSA-N 0 0 447.951 5.334 50 30 IKEARN CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009379647 569527688 /nfs/dbraw/zinc/52/76/88/569527688.db2.gz NRXWTULIFTWMEG-JGTLJEJISA-N 0 0 431.561 5.483 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009380175 569527807 /nfs/dbraw/zinc/52/78/07/569527807.db2.gz WCTKBMBMMXFNNY-AXLPEMCNSA-N 0 0 435.980 6.127 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000009380306 569527849 /nfs/dbraw/zinc/52/78/49/569527849.db2.gz YKUIWDOCWKLGNG-WTYVLRPYSA-N 0 0 440.562 7.103 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009380311 569527871 /nfs/dbraw/zinc/52/78/71/569527871.db2.gz GKRCOIVEKBWVGT-OAQYLSRUSA-N 0 0 448.316 5.540 50 30 IKEARN O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 ZINC000009380433 569527923 /nfs/dbraw/zinc/52/79/23/569527923.db2.gz HZYBHUSUBXHFHT-WOOPDLCSSA-N 0 0 449.428 5.888 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009380312 569527933 /nfs/dbraw/zinc/52/79/33/569527933.db2.gz GKRCOIVEKBWVGT-NRFANRHFSA-N 0 0 448.316 5.540 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1 ZINC000009418653 569532417 /nfs/dbraw/zinc/53/24/17/569532417.db2.gz JVZYDENHLLYYBO-UHFFFAOYSA-N 0 0 439.289 7.238 50 30 IKEARN Cc1cccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)c1 ZINC000009419167 569532474 /nfs/dbraw/zinc/53/24/74/569532474.db2.gz HBHLUIVDDYORAY-IMRQLAEWSA-N 0 0 447.490 6.948 50 30 IKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)cc1 ZINC000009419214 569532569 /nfs/dbraw/zinc/53/25/69/569532569.db2.gz DJGZNIWQEZUDTO-IMRQLAEWSA-N 0 0 447.490 6.948 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1ccc(Cl)cc1Cl ZINC000009419348 569532570 /nfs/dbraw/zinc/53/25/70/569532570.db2.gz BAXMYSXAAMYRBC-JMIUGGIZSA-N 0 0 447.295 5.377 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c2cc(OC)ccc21 ZINC000009422404 569532857 /nfs/dbraw/zinc/53/28/57/569532857.db2.gz VEQVRGMSPYMEBS-SSDVNMTOSA-N 0 0 445.496 5.567 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccc(F)cc4)c3C)C1=O)cn2C ZINC000009422514 569532874 /nfs/dbraw/zinc/53/28/74/569532874.db2.gz IEEHTOCTIXMTFH-BRJLIKDPSA-N 0 0 443.474 5.830 50 30 IKEARN COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000009422494 569532875 /nfs/dbraw/zinc/53/28/75/569532875.db2.gz QLBSSUNCONHWPN-ZVHZXABRSA-N 0 0 439.467 5.331 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c2cc(OC)ccc21 ZINC000009422681 569532905 /nfs/dbraw/zinc/53/29/05/569532905.db2.gz ZKVXYXAKWUZXCJ-FOKLQQMPSA-N 0 0 429.428 5.098 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 ZINC000009423930 569533031 /nfs/dbraw/zinc/53/30/31/569533031.db2.gz VYMNHCMOLIBZQP-DHRITJCHSA-N 0 0 429.903 6.510 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000009424824 569533165 /nfs/dbraw/zinc/53/31/65/569533165.db2.gz FFUJAZBXOGCWLY-UIAIJNLVSA-N 0 0 431.561 5.483 50 30 IKEARN COc1ccc2nc(Cl)c(CN=Nc3nc4ccccc4c(-c4ccccc4)n3)cc2c1 ZINC000009428471 569533554 /nfs/dbraw/zinc/53/35/54/569533554.db2.gz XXPCRSOPELLTJH-JFLMPSFJSA-N 0 0 439.906 5.953 50 30 IKEARN C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 ZINC000009433152 569534519 /nfs/dbraw/zinc/53/45/19/569534519.db2.gz SNTCFGIOXNQWRE-RPBOFIJWSA-N 0 0 444.600 5.904 50 30 IKEARN N#Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)c1 ZINC000009446156 569535861 /nfs/dbraw/zinc/53/58/61/569535861.db2.gz FTZSOAVOERYIOT-VYIQYICTSA-N 0 0 444.288 5.552 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000009454081 569536628 /nfs/dbraw/zinc/53/66/28/569536628.db2.gz ZNHQUHCKIGMDLT-QHCPKHFHSA-N 0 0 446.503 5.117 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000009462285 569537206 /nfs/dbraw/zinc/53/72/06/569537206.db2.gz HNCZVNSWRRRRSL-UHNOWLQGSA-N 0 0 444.398 5.473 50 30 IKEARN Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000009463681 569537488 /nfs/dbraw/zinc/53/74/88/569537488.db2.gz OPASOXSXPQBQJD-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN CCc1cc(S[C@@H](C)c2nnc(-c3ccccc3)o2)n2c3ccccc3nc2c1C#N ZINC000009468622 569538692 /nfs/dbraw/zinc/53/86/92/569538692.db2.gz GISRTWMRYGBLRX-HNNXBMFYSA-N 0 0 425.517 5.825 50 30 IKEARN C[C@@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)Nc1sccc1C#N ZINC000009468966 569538749 /nfs/dbraw/zinc/53/87/49/569538749.db2.gz OPIKJLZJGMSRJN-CQSZACIVSA-N 0 0 431.546 5.426 50 30 IKEARN COc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1OC ZINC000009486718 569539648 /nfs/dbraw/zinc/53/96/48/569539648.db2.gz QBGDXLJPTXQEDH-LGMDPLHJSA-N 0 0 430.416 5.177 50 30 IKEARN CN(Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)[C@H]1CCCc2ccccc21 ZINC000009499145 569541426 /nfs/dbraw/zinc/54/14/26/569541426.db2.gz UHDLVPVHQBJGHS-QFIPXVFZSA-N 0 0 440.572 5.158 50 30 IKEARN C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000009507727 569542119 /nfs/dbraw/zinc/54/21/19/569542119.db2.gz CPYFGLFMQGOWQY-UHFFFAOYSA-N 0 0 425.385 5.151 50 30 IKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000009540770 569545868 /nfs/dbraw/zinc/54/58/68/569545868.db2.gz QBVIKVKNAFUIKY-WVZPCHHUSA-N 0 0 425.484 5.268 50 30 IKEARN C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009548938 569546545 /nfs/dbraw/zinc/54/65/45/569546545.db2.gz XCMFLYGVLPHBDZ-QFIPXVFZSA-N 0 0 444.535 5.742 50 30 IKEARN C=CCn1cnnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 ZINC000009577132 569548186 /nfs/dbraw/zinc/54/81/86/569548186.db2.gz NHAPYFBWVXKRRM-UHFFFAOYSA-N 0 0 433.990 5.168 50 30 IKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O ZINC000009601029 569551544 /nfs/dbraw/zinc/55/15/44/569551544.db2.gz NKJHSBJSERJWFG-URAOTHONSA-N 0 0 447.534 6.621 50 30 IKEARN CCC1=Nc2ccccc2NC(=NC(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009614642 569553154 /nfs/dbraw/zinc/55/31/54/569553154.db2.gz FVVMCHXBZDNGSR-DEOSSOPVSA-N 0 0 427.504 5.635 50 30 IKEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 ZINC000009639414 569555228 /nfs/dbraw/zinc/55/52/28/569555228.db2.gz ZYWNNDBIVVDGRY-UHFFFAOYSA-N 0 0 447.516 5.179 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2C1 ZINC000009640024 569555270 /nfs/dbraw/zinc/55/52/70/569555270.db2.gz NRLZCQKYUVMKKX-GFCCVEGCSA-N 0 0 435.599 6.335 50 30 IKEARN COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc21 ZINC000009708979 569561973 /nfs/dbraw/zinc/56/19/73/569561973.db2.gz MKIZFCGECZUKBZ-UHFFFAOYSA-N 0 0 434.908 5.072 50 30 IKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1F ZINC000009720416 569563257 /nfs/dbraw/zinc/56/32/57/569563257.db2.gz KHOSNELCPJNKHI-UHFFFAOYSA-N 0 0 448.490 5.541 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)cc(Br)c1O ZINC000009720808 569563324 /nfs/dbraw/zinc/56/33/24/569563324.db2.gz IZLHGUSAPDPEFD-GZTJUZNOSA-N 0 0 447.354 5.007 50 30 IKEARN C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000009729932 569564326 /nfs/dbraw/zinc/56/43/26/569564326.db2.gz BAPBVPGTUDMTPW-CQSZACIVSA-N 0 0 431.920 5.199 50 30 IKEARN C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000009729930 569564347 /nfs/dbraw/zinc/56/43/47/569564347.db2.gz BAPBVPGTUDMTPW-AWEZNQCLSA-N 0 0 431.920 5.199 50 30 IKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009731343 569564578 /nfs/dbraw/zinc/56/45/78/569564578.db2.gz IDSBHZKXZGRQFR-UHFFFAOYSA-N 0 0 447.619 6.347 50 30 IKEARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009731749 569564667 /nfs/dbraw/zinc/56/46/67/569564667.db2.gz PICFJCZRKKWVTR-NRFANRHFSA-N 0 0 434.927 5.265 50 30 IKEARN CCCC(=O)C1=C(c2cccs2)N(C(=O)CCC)n2c(nnc2-c2ccccc2)S1 ZINC000009737562 569564808 /nfs/dbraw/zinc/56/48/08/569564808.db2.gz FJWIETAANVSYCC-UHFFFAOYSA-N 0 0 438.578 5.115 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1C#N ZINC000009745994 569565726 /nfs/dbraw/zinc/56/57/26/569565726.db2.gz QIGNWVDFTVDSCE-UHFFFAOYSA-N 0 0 449.580 5.186 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1 ZINC000009761135 569566216 /nfs/dbraw/zinc/56/62/16/569566216.db2.gz NPTFPJMIBFTQJX-CYXNTTPDSA-N 0 0 449.941 5.933 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(F)cc3)sc2C1 ZINC000009762926 569566489 /nfs/dbraw/zinc/56/64/89/569566489.db2.gz VNZAXTWKFAUXCE-AWEZNQCLSA-N 0 0 429.586 5.427 50 30 IKEARN CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O ZINC000009775619 569566988 /nfs/dbraw/zinc/56/69/88/569566988.db2.gz IZMZUMNGDQMYMO-UHFFFAOYSA-N 0 0 449.635 6.571 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009779431 569567396 /nfs/dbraw/zinc/56/73/96/569567396.db2.gz FQFPHGIEPQTZQF-DFHRPNOPSA-N 0 0 436.555 6.243 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@H](c3ccccc3F)C12 ZINC000009856572 569571612 /nfs/dbraw/zinc/57/16/12/569571612.db2.gz PHBJNRDSUUILQZ-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccc(O)c1 ZINC000009861372 569571973 /nfs/dbraw/zinc/57/19/73/569571973.db2.gz CHZDRLCOEPDHMX-AREMUKBSSA-N 0 0 438.527 5.845 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861342 569571974 /nfs/dbraw/zinc/57/19/74/569571974.db2.gz VMKGWHZLRLLONO-XMMPIXPASA-N 0 0 443.374 6.691 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009861358 569571995 /nfs/dbraw/zinc/57/19/95/569571995.db2.gz FNGFQLCUZHNXMT-AREMUKBSSA-N 0 0 434.536 5.401 50 30 IKEARN COc1ccccc1/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1OC ZINC000009907447 569573111 /nfs/dbraw/zinc/57/31/11/569573111.db2.gz DHRUPQPUPGPOQB-SHSCQTOKSA-N 0 0 434.492 5.652 50 30 IKEARN COc1ccc(-c2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc2OC)cc1 ZINC000009948987 569574190 /nfs/dbraw/zinc/57/41/90/569574190.db2.gz ARTJZGPJWCPANL-UHFFFAOYSA-N 0 0 434.495 6.162 50 30 IKEARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000071328070 569575465 /nfs/dbraw/zinc/57/54/65/569575465.db2.gz FKHNMLUEYXLTRD-UHFFFAOYSA-N 0 0 434.565 5.046 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009969607 569576090 /nfs/dbraw/zinc/57/60/90/569576090.db2.gz DHZZBLSWDRXUME-QHCPKHFHSA-N 0 0 443.455 5.203 50 30 IKEARN N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1[S@](=O)Cc1ccccc1 ZINC000009971512 569576254 /nfs/dbraw/zinc/57/62/54/569576254.db2.gz XBSSRYFBBYABKP-HKBQPEDESA-N 0 0 425.509 6.451 50 30 IKEARN CCCC[S@@](=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000009993077 569576953 /nfs/dbraw/zinc/57/69/53/569576953.db2.gz FSCYKXRZYATRJC-PMERELPUSA-N 0 0 436.602 5.894 50 30 IKEARN N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc2c(c1)OCO2 ZINC000010037336 569577447 /nfs/dbraw/zinc/57/74/47/569577447.db2.gz AQPVYWPKOKDXNY-UHFFFAOYSA-N 0 0 437.499 5.219 50 30 IKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] ZINC000010212895 569578995 /nfs/dbraw/zinc/57/89/95/569578995.db2.gz TVNZWNRVIUFECX-LSHDLFTRSA-N 0 0 437.308 5.870 50 30 IKEARN Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1 ZINC000010201669 569579000 /nfs/dbraw/zinc/57/90/00/569579000.db2.gz LCEKOKZRQRRBJG-JTQLQIEISA-N 0 0 438.456 5.116 50 30 IKEARN C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000010240469 569579737 /nfs/dbraw/zinc/57/97/37/569579737.db2.gz ZOPJZPDPQFOOER-LJQANCHMSA-N 0 0 447.029 5.452 50 30 IKEARN C(=NN=c1[nH]c2ccccc2s1)c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000001838758 569582745 /nfs/dbraw/zinc/58/27/45/569582745.db2.gz IKFALNIBCDDJDT-LQKURTRISA-N 0 0 432.552 6.899 50 30 IKEARN O=c1oc2ccc3ccccc3c2cc1-c1csc(N=NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000008934332 569584215 /nfs/dbraw/zinc/58/42/15/569584215.db2.gz GLRDPQZDDBSERX-WYMPLXKRSA-N 0 0 442.456 5.424 50 30 IKEARN O=[N+]([O-])c1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1 ZINC000001863679 569584238 /nfs/dbraw/zinc/58/42/38/569584238.db2.gz WUGAGDSCLUBIAR-ZMOGYAJESA-N 0 0 427.489 5.654 50 30 IKEARN COc1ccc(-c2csc(N=NC3C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 ZINC000031994693 569584393 /nfs/dbraw/zinc/58/43/93/569584393.db2.gz YVCXIROPPVUFHA-NNHPPCHPSA-N 0 0 441.556 6.467 50 30 IKEARN COc1ccc(-c2csc(N=NC3C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 ZINC000031994697 569584444 /nfs/dbraw/zinc/58/44/44/569584444.db2.gz YVCXIROPPVUFHA-KVILUOORSA-N 0 0 441.556 6.467 50 30 IKEARN Cc1cccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1 ZINC000001312136 569584463 /nfs/dbraw/zinc/58/44/63/569584463.db2.gz CRBBHMZATKZPNQ-WGOQTCKBSA-N 0 0 426.545 6.084 50 30 IKEARN Clc1ccc(Cl)c(OCCn2cccc2C=NN=c2[nH]c3ccccc3s2)c1 ZINC000013749933 569585089 /nfs/dbraw/zinc/58/50/89/569585089.db2.gz XSTIGKACDKVNFP-YDZHTSKRSA-N 0 0 431.348 5.930 50 30 IKEARN O=C1C=CC=C/C1=C\C=c1ccc(=C2C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1 ZINC000409415901 569588143 /nfs/dbraw/zinc/58/81/43/569588143.db2.gz OKJYKDQIGPYCKE-TWVFTPEFSA-N 0 0 426.515 5.352 50 30 IKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(C(=O)OC)cc1N ZINC000101013952 569588196 /nfs/dbraw/zinc/58/81/96/569588196.db2.gz ZTGYQWRFYXBREN-UHFFFAOYSA-N 0 0 439.662 6.310 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000003978650 290671221 /nfs/dbraw/zinc/67/12/21/290671221.db2.gz FVWJYYTZTCVBKE-ROUWMTJPSA-N 0 0 442.728 6.997 50 30 biogenic,in-vivo IKEARN Cc1sc2nc(SCC(=O)[C@H](C#N)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000009164942 120800067 /nfs/dbraw/zinc/80/00/67/120800067.db2.gz YIPKUUCMKLNCEH-LJQANCHMSA-N 0 0 445.569 5.033 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccccc1 ZINC000013286190 121382488 /nfs/dbraw/zinc/38/24/88/121382488.db2.gz LBIKVCOQQOZPGS-YJOHERITSA-N 0 0 444.025 6.504 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1C ZINC000030738673 122584811 /nfs/dbraw/zinc/58/48/11/122584811.db2.gz HHGWGMCWHDRVFN-QDJRPKQISA-N 0 0 437.634 6.468 50 30 IKEARN CCN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2C)N(C2CCCCC2)C1=O ZINC000100200945 123466061 /nfs/dbraw/zinc/46/60/61/123466061.db2.gz WYXLHZWQWIZYQB-SLJQUXCSSA-N 0 0 449.645 6.692 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccccc1OC ZINC000102149046 123570927 /nfs/dbraw/zinc/57/09/27/123570927.db2.gz JNEWENXKRSZFDP-QUOYTPRUSA-N 0 0 445.997 5.733 50 30 IKEARN CC[C@@H]1CCc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000000663956 193877516 /nfs/dbraw/zinc/87/75/16/193877516.db2.gz RSFSCTBSJSRHFF-OAHLLOKOSA-N 0 0 447.526 5.204 50 30 IKEARN N#Cc1c2c(c(N3CCCCC3)nc1NCc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000002226419 132249378 /nfs/dbraw/zinc/24/93/78/132249378.db2.gz NBNCABAWPOLTBB-UHFFFAOYSA-N 0 0 437.591 5.114 50 30 IKEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCN(c5ccccc5)CC4)o3)o2)c1 ZINC000008614957 132288646 /nfs/dbraw/zinc/28/86/46/132288646.db2.gz XJYZMVCCVQFYOI-UHFFFAOYSA-N 0 0 440.503 5.020 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009254050 518196833 /nfs/dbraw/zinc/19/68/33/518196833.db2.gz HXCRLDWOASRWCN-UHFFFAOYSA-N 0 0 431.908 5.196 50 30 IKEARN Brc1ccc2nc(N=NCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000006446832 518218234 /nfs/dbraw/zinc/21/82/34/518218234.db2.gz VXWVVGAYIPTIMX-ZMOGYAJESA-N 0 0 443.308 5.382 50 30 IKEARN C#CCCCCCCCCC(=O)O[C@H]1OCCO[C@H]1OC(=O)CCCCCCCCC#C ZINC000012559366 518247259 /nfs/dbraw/zinc/24/72/59/518247259.db2.gz VIBSGKFRYYRQHJ-WMPKNSHKSA-N 0 0 448.600 5.280 50 30 IKEARN C(=N/OCc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1)\c1ccccc1 ZINC000009035677 518378873 /nfs/dbraw/zinc/37/88/73/518378873.db2.gz MPRFJERJJOVHRU-MUFRIFMGSA-N 0 0 445.482 5.755 50 30 IKEARN C/C(=N/OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C ZINC000035843429 518457216 /nfs/dbraw/zinc/45/72/16/518457216.db2.gz GKKGELWVQXBLCN-LQNQUEJISA-N 0 0 434.461 6.811 50 30 IKEARN C/C(=N/OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843451 518457272 /nfs/dbraw/zinc/45/72/72/518457272.db2.gz VTIODPHLUKWRFN-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000036026018 518460100 /nfs/dbraw/zinc/46/01/00/518460100.db2.gz MNOLWTJPNGKKBZ-PSQINSSGSA-N 0 0 448.364 5.216 50 30 IKEARN C/C(=N\N=c1/scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000009369236 518461501 /nfs/dbraw/zinc/46/15/01/518461501.db2.gz MUKOVGSSZRZHGH-IYLGLBRYSA-N 0 0 448.935 6.092 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)nc2ccccc21)c1ccc(F)cc1 ZINC000012343289 518464579 /nfs/dbraw/zinc/46/45/79/518464579.db2.gz QRBVEFPVPBHQHD-MZJWZYIUSA-N 0 0 435.300 6.035 50 30 IKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000033906730 518466818 /nfs/dbraw/zinc/46/68/18/518466818.db2.gz ZSXWMYUORRBFDB-OGLMXYFKSA-N 0 0 443.348 6.409 50 30 IKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000012343319 518466959 /nfs/dbraw/zinc/46/69/59/518466959.db2.gz PFJZJDFZFFGGRA-OGLMXYFKSA-N 0 0 443.348 6.409 50 30 IKEARN C/C(=N\Nc1ncc(-c2cc3cc(Br)ccc3oc2=O)s1)c1ccccc1 ZINC000008952558 518467923 /nfs/dbraw/zinc/46/79/23/518467923.db2.gz BUCXYSPJWVWKMS-FSJBWODESA-N 0 0 440.322 5.515 50 30 IKEARN CC(N=Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000008626854 518468095 /nfs/dbraw/zinc/46/80/95/518468095.db2.gz OTYACJKZROBNFJ-DFKUXCBWSA-N 0 0 440.550 7.314 50 30 IKEARN C/C(=N\OC(=O)c1cc(Cl)cc(Cl)c1)c1sc2nc(C(F)(F)F)nn2c1C ZINC000013469763 518470019 /nfs/dbraw/zinc/47/00/19/518470019.db2.gz DUTPCXRBRJSHFS-TXNBCWFRSA-N 0 0 437.230 5.006 50 30 IKEARN C/C(=N\OCc1cccc(C(=O)/N=S(/C)c2ccc(C)cc2)c1)c1ccc(Cl)cc1 ZINC000012367262 518471548 /nfs/dbraw/zinc/47/15/48/518471548.db2.gz WLIUNBBXCNVURV-NLRVBDNBSA-N 0 0 438.980 6.220 50 30 IKEARN CC(C)(C)C1CCC(C(=O)On2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)CC1 ZINC000027527719 518603474 /nfs/dbraw/zinc/60/34/74/518603474.db2.gz VXRHAXVEDKKOIH-UHFFFAOYSA-N 0 0 438.955 5.525 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)NCc3ccccc3)c2c1 ZINC000015880519 518616225 /nfs/dbraw/zinc/61/62/25/518616225.db2.gz NEGPJEVFKUWBMS-UHFFFAOYSA-N 0 0 427.500 5.993 50 30 IKEARN C=C(C)CSc1nnc(SCc2csc(N(C(C)=O)c3ccccc3)n2)s1 ZINC000013008922 518626552 /nfs/dbraw/zinc/62/65/52/518626552.db2.gz JTMRUVYKWPYMIL-UHFFFAOYSA-N 0 0 434.637 5.640 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@H]12 ZINC000253502201 518645113 /nfs/dbraw/zinc/64/51/13/518645113.db2.gz MQYXUWHLBZFQQO-DSNXNGCTSA-N 0 0 426.729 8.025 50 30 IKEARN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O ZINC000038791508 518656685 /nfs/dbraw/zinc/65/66/85/518656685.db2.gz ZGLHBRQAEXKACO-MWNGSTQJSA-N 0 0 428.657 5.727 50 30 IKEARN C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@H]2CCCCO2)C1 ZINC000012327404 518693834 /nfs/dbraw/zinc/69/38/34/518693834.db2.gz CEPHYRMQGZVQQA-OAQYLSRUSA-N 0 0 441.593 5.359 50 30 IKEARN C=CCC[C@@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302902 518716020 /nfs/dbraw/zinc/71/60/20/518716020.db2.gz UABWIEOZAYPQEW-HSZRJFAPSA-N 0 0 449.595 5.003 50 30 IKEARN C=CCN(C(=O)Cn1c2cnccc2nc1SCc1cc(C)ccc1C)c1ccccc1 ZINC000008913104 518735267 /nfs/dbraw/zinc/73/52/67/518735267.db2.gz JYTDNKVEWRVEOB-UHFFFAOYSA-N 0 0 442.588 5.560 50 30 IKEARN C=CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1 ZINC000009433153 518737182 /nfs/dbraw/zinc/73/71/82/518737182.db2.gz SNTCFGIOXNQWRE-LOSJGSFVSA-N 0 0 444.600 5.904 50 30 IKEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1c(C)cccc1C ZINC000035766241 518744850 /nfs/dbraw/zinc/74/48/50/518744850.db2.gz UZVSJUQLUGCNOM-UHFFFAOYSA-N 0 0 445.563 5.188 50 30 IKEARN C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1Cl ZINC000012446503 518769110 /nfs/dbraw/zinc/76/91/10/518769110.db2.gz VCNHUIBYONLTNY-UHFFFAOYSA-N 0 0 439.968 5.633 50 30 IKEARN C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)/C=C/c1ccccc1 ZINC000012446502 518769236 /nfs/dbraw/zinc/76/92/36/518769236.db2.gz IVDILTODMYQTPC-OUKQBFOZSA-N 0 0 431.561 5.379 50 30 IKEARN C=CCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000035729269 518787849 /nfs/dbraw/zinc/78/78/49/518787849.db2.gz KMDGLWMKABXJCI-UHFFFAOYSA-N 0 0 444.362 6.072 50 30 IKEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(Cl)cc1 ZINC000036106157 518795536 /nfs/dbraw/zinc/79/55/36/518795536.db2.gz AJRPGYYFZADRNF-UHFFFAOYSA-N 0 0 440.996 6.129 50 30 IKEARN C=CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000035979724 518800458 /nfs/dbraw/zinc/80/04/58/518800458.db2.gz WMYNBQKSTBTKMX-UHFFFAOYSA-N 0 0 434.754 5.720 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2C)c1 ZINC000003023102 518817803 /nfs/dbraw/zinc/81/78/03/518817803.db2.gz MFYBZSGHIZDOHY-UHFFFAOYSA-N 0 0 438.524 5.076 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)SC1=S ZINC000013941875 518826507 /nfs/dbraw/zinc/82/65/07/518826507.db2.gz LHEKEQJRTNAVRD-HAHDFKILSA-N 0 0 447.581 5.815 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000019800535 518834313 /nfs/dbraw/zinc/83/43/13/518834313.db2.gz BBABVYNQFCBUHX-CPNJWEJPSA-N 0 0 437.977 5.580 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C ZINC000000992349 518845888 /nfs/dbraw/zinc/84/58/88/518845888.db2.gz TVEUZCVLQJDPAK-ZJJRIXMCSA-N 0 0 435.593 5.573 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2-c2ccccc2S1(=O)=O ZINC000033271929 518875795 /nfs/dbraw/zinc/87/57/95/518875795.db2.gz PBBVZUIFQCKNIH-UHFFFAOYSA-N 0 0 442.899 5.093 50 30 IKEARN C=CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095218 518884518 /nfs/dbraw/zinc/88/45/18/518884518.db2.gz JIRNOIFZFASTCI-MUUNZHRXSA-N 0 0 449.554 5.381 50 30 IKEARN C=CCNC(=O)CSc1nnc(Cc2cccc3ccccc32)n1-c1ccc(C)cc1C ZINC000012609097 518899722 /nfs/dbraw/zinc/89/97/22/518899722.db2.gz NMBKBKIZAVZCJG-UHFFFAOYSA-N 0 0 442.588 5.022 50 30 IKEARN C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000037600794 518902876 /nfs/dbraw/zinc/90/28/76/518902876.db2.gz WRFOTTVMVDAMPF-HXUWFJFHSA-N 0 0 445.538 5.148 50 30 IKEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000034680145 518903178 /nfs/dbraw/zinc/90/31/78/518903178.db2.gz SKKPBGOIJDORAO-QFIPXVFZSA-N 0 0 441.575 5.317 50 30 IKEARN C=CCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1NC(=O)c1ccc(Cl)cc1 ZINC000012444705 518947236 /nfs/dbraw/zinc/94/72/36/518947236.db2.gz PATZEHKTCHBHLH-UHFFFAOYSA-N 0 0 434.348 5.388 50 30 IKEARN C=CCNc1nc(SCC(C)=O)nc2nnc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000019897630 518964257 /nfs/dbraw/zinc/96/42/57/518964257.db2.gz WPQKRQAYJYMVDC-UHFFFAOYSA-N 0 0 427.533 5.033 50 30 IKEARN C=CCOC(=O)c1sc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1C ZINC000013426791 518979504 /nfs/dbraw/zinc/97/95/04/518979504.db2.gz PIBJTKUWLMILKX-UHFFFAOYSA-N 0 0 427.334 5.568 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)cc1 ZINC000102417440 519009274 /nfs/dbraw/zinc/00/92/74/519009274.db2.gz CMEGZBOVUCXIRX-CVKSISIWSA-N 0 0 433.349 7.305 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 ZINC000102417431 519009815 /nfs/dbraw/zinc/00/98/15/519009815.db2.gz WKKUAIKZLMRIAP-VULFUBBASA-N 0 0 433.895 7.105 50 30 IKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000008396177 519015335 /nfs/dbraw/zinc/01/53/35/519015335.db2.gz ZOXAJRNZBHQPAZ-ZEHKLFRWSA-N 0 0 440.568 6.677 50 30 IKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000027534766 519015515 /nfs/dbraw/zinc/01/55/15/519015515.db2.gz IPFXDCQCLKYLTJ-DZNDYGJHSA-N 0 0 426.541 6.056 50 30 IKEARN C=CCOc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 ZINC000009374609 519018264 /nfs/dbraw/zinc/01/82/64/519018264.db2.gz MCVMEIZKSYOKKH-NKFKGCMQSA-N 0 0 436.536 5.203 50 30 IKEARN CC(C)(C)c1ccc(C(=O)O/N=C2\CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000008781567 519024415 /nfs/dbraw/zinc/02/44/15/519024415.db2.gz IHZNGCXIKMSNGQ-XFBWPPDYSA-N 0 0 439.468 5.671 50 30 IKEARN C=CCOc1ccc(C(=O)Oc2cc3sc(=O)oc3c(-c3ccc(OC)cc3)c2)cc1 ZINC000009430711 519028235 /nfs/dbraw/zinc/02/82/35/519028235.db2.gz BMGIIAJHHAHCHM-UHFFFAOYSA-N 0 0 434.469 5.314 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000012194185 519029669 /nfs/dbraw/zinc/02/96/69/519029669.db2.gz RITAFLIKEAQDTQ-IAPPQJPRSA-N 0 0 438.571 6.791 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000012194202 519029849 /nfs/dbraw/zinc/02/98/49/519029849.db2.gz TXIIIWIVKKBGTQ-XNMGPUDCSA-N 0 0 426.516 5.892 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000012194191 519030167 /nfs/dbraw/zinc/03/01/67/519030167.db2.gz RITAFLIKEAQDTQ-IXCJQBJRSA-N 0 0 438.571 6.791 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000009215968 519030584 /nfs/dbraw/zinc/03/05/84/519030584.db2.gz TXIIIWIVKKBGTQ-BDYUSTAISA-N 0 0 426.516 5.892 50 30 IKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC ZINC000046076267 519043705 /nfs/dbraw/zinc/04/37/05/519043705.db2.gz LAZCWWLVENINBA-IBGZPJMESA-N 0 0 435.545 5.861 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000013570405 519048334 /nfs/dbraw/zinc/04/83/34/519048334.db2.gz WFQNFNYXSFIFKB-JOCHJYFZSA-N 0 0 446.934 5.815 50 30 IKEARN C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000010233176 519059240 /nfs/dbraw/zinc/05/92/40/519059240.db2.gz SWZZLHQBPWRKOK-OAQYLSRUSA-N 0 0 444.512 5.181 50 30 IKEARN C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009187476 519060348 /nfs/dbraw/zinc/06/03/48/519060348.db2.gz VBUQIEMARLVDCX-HSZRJFAPSA-N 0 0 442.471 5.021 50 30 IKEARN C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009187475 519061763 /nfs/dbraw/zinc/06/17/63/519061763.db2.gz VBUQIEMARLVDCX-QHCPKHFHSA-N 0 0 442.471 5.021 50 30 IKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271471 519072604 /nfs/dbraw/zinc/07/26/04/519072604.db2.gz RDSDHBQRIHOBTQ-KRWDZBQOSA-N 0 0 430.533 5.138 50 30 IKEARN C=CCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 ZINC000006054353 519076482 /nfs/dbraw/zinc/07/64/82/519076482.db2.gz XEBUKTNTMJPBNP-ATVHPVEESA-N 0 0 446.391 5.918 50 30 IKEARN C=CCSc1nc2ccc(/N=C/c3ccc(I)o3)cc2s1 ZINC000002176678 519082152 /nfs/dbraw/zinc/08/21/52/519082152.db2.gz VGAQLFTUVZXDDQ-RQZCQDPDSA-N 0 0 426.304 5.523 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(F)cc3)o1)Nc1ccccc1-2 ZINC000002977379 519092412 /nfs/dbraw/zinc/09/24/12/519092412.db2.gz FHPRVLSVNOPMIM-OAQYLSRUSA-N 0 0 432.480 5.719 50 30 IKEARN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC ZINC000012652783 519126699 /nfs/dbraw/zinc/12/66/99/519126699.db2.gz ATVFAOIDIAAAQS-ZDLGFXPLSA-N 0 0 449.956 5.631 50 30 IKEARN C=CCc1ccccc1OCCOc1ccc(C)cc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000013939999 519145712 /nfs/dbraw/zinc/14/57/12/519145712.db2.gz HJGMVGQIIYVIKR-LYBHJNIJSA-N 0 0 439.511 5.526 50 30 IKEARN C=CCn1c(-c2ccccc2)cs/c1=N/N=c1\scc(-c2ccccc2)n1CC=C ZINC000002676671 519149564 /nfs/dbraw/zinc/14/95/64/519149564.db2.gz LSOKARJYSPXDOU-MJPLYFDISA-N 0 0 430.602 5.535 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1cccc(Cl)c1 ZINC000008642662 519150465 /nfs/dbraw/zinc/15/04/65/519150465.db2.gz ARUREGWTVFLOKD-RFBIWTDZSA-N 0 0 445.975 6.541 50 30 IKEARN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000013059147 519154138 /nfs/dbraw/zinc/15/41/38/519154138.db2.gz FNTNBJJJULERHH-UHFFFAOYSA-N 0 0 441.559 5.573 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Br)cc1)CCCC3 ZINC000002446874 519159216 /nfs/dbraw/zinc/15/92/16/519159216.db2.gz LNSLAJSOCVTBMZ-UHFFFAOYSA-N 0 0 447.423 5.578 50 30 IKEARN C=CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1nc(-c2ccco2)no1 ZINC000012753980 519162975 /nfs/dbraw/zinc/16/29/75/519162975.db2.gz QBNUWZDXZXOYFU-UHFFFAOYSA-N 0 0 448.529 5.246 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc21 ZINC000002660735 519184836 /nfs/dbraw/zinc/18/48/36/519184836.db2.gz FLMQLEJEVTVLOP-UHFFFAOYSA-N 0 0 438.940 5.153 50 30 IKEARN C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000013120697 519187091 /nfs/dbraw/zinc/18/70/91/519187091.db2.gz IVJIROOSUJJIMZ-QGZVFWFLSA-N 0 0 425.529 5.163 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1SC/C(=C/C(=O)C(C)(C)C)C(C)(C)C ZINC000058174710 519189477 /nfs/dbraw/zinc/18/94/77/519189477.db2.gz OTKWGKUNSANVAC-VKAVYKQESA-N 0 0 445.604 5.862 50 30 IKEARN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2ccc(C3CCCCC3)cc2)nc1C ZINC000012736553 519197888 /nfs/dbraw/zinc/19/78/88/519197888.db2.gz HIDHERFTZFITPU-UHFFFAOYSA-N 0 0 439.610 5.485 50 30 IKEARN C=CCn1c(SC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 ZINC000001821529 519197925 /nfs/dbraw/zinc/19/79/25/519197925.db2.gz FEDGBLCZXGKHJA-UHFFFAOYSA-N 0 0 442.569 6.646 50 30 IKEARN C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccnc1 ZINC000020829922 519200128 /nfs/dbraw/zinc/20/01/28/519200128.db2.gz WKELEQFJIKSXKD-UHFFFAOYSA-N 0 0 439.629 5.112 50 30 IKEARN C=CCn1c(SCC(=O)N[C@@H](C)CCC)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012801964 519208729 /nfs/dbraw/zinc/20/87/29/519208729.db2.gz PIKANEIOZXDDNR-HNNXBMFYSA-N 0 0 441.622 5.016 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1Cl ZINC000002450678 519213260 /nfs/dbraw/zinc/21/32/60/519213260.db2.gz UAWMEQXXSLVNBZ-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1cc2ccccc2o1 ZINC000010675377 519215372 /nfs/dbraw/zinc/21/53/72/519215372.db2.gz BEMQWCYTUCLTOS-UHFFFAOYSA-N 0 0 438.940 5.570 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3cccnc32)nnc1-c1ccc(Cl)cc1 ZINC000012789791 519222206 /nfs/dbraw/zinc/22/22/06/519222206.db2.gz FCBUPLSJXNPJQS-UHFFFAOYSA-N 0 0 435.940 5.064 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccoc1C ZINC000009582956 519229686 /nfs/dbraw/zinc/22/96/86/519229686.db2.gz YURDFHNESPVJKY-UHFFFAOYSA-N 0 0 432.549 5.415 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)nnc1C1CCCCC1 ZINC000013028380 519229877 /nfs/dbraw/zinc/22/98/77/519229877.db2.gz VIMDWTMXQPRABY-FQEVSTJZSA-N 0 0 442.629 5.084 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)c(C)c(C)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002679411 519230460 /nfs/dbraw/zinc/23/04/60/519230460.db2.gz FXUQBAZPYUSZCX-UHFFFAOYSA-N 0 0 438.618 5.423 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1OC ZINC000009594511 519230506 /nfs/dbraw/zinc/23/05/06/519230506.db2.gz KLMAUJOKIUCREE-UHFFFAOYSA-N 0 0 441.556 5.782 50 30 IKEARN C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2scc(-c3ccccc3)c2c1=O ZINC000003251349 519238442 /nfs/dbraw/zinc/23/84/42/519238442.db2.gz OKGVBTGOTSYDCX-UHFFFAOYSA-N 0 0 448.569 5.390 50 30 IKEARN C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccc(Br)cc1 ZINC000009439367 519239949 /nfs/dbraw/zinc/23/99/49/519239949.db2.gz WCOZBAJPZKGSLX-UHFFFAOYSA-N 0 0 434.334 5.334 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009497617 519240157 /nfs/dbraw/zinc/24/01/57/519240157.db2.gz ZVADSQGUTJGYEF-UHFFFAOYSA-N 0 0 432.420 7.028 50 30 IKEARN C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000001096617 519247122 /nfs/dbraw/zinc/24/71/22/519247122.db2.gz MNBXINIBNOMQQR-UHFFFAOYSA-N 0 0 429.567 5.507 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccccc1OC ZINC000013113282 519253692 /nfs/dbraw/zinc/25/36/92/519253692.db2.gz SBHISCJGSCUUHI-INIZCTEOSA-N 0 0 432.549 5.293 50 30 IKEARN CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000012856320 519259766 /nfs/dbraw/zinc/25/97/66/519259766.db2.gz BEFUWMVQNXRZDW-AFJIDDCJSA-N 0 0 438.571 7.337 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(OC)c(OC)c3)c12 ZINC000012695405 519265810 /nfs/dbraw/zinc/26/58/10/519265810.db2.gz WUVIZMHXRPVSSK-ZHACJKMWSA-N 0 0 435.911 5.350 50 30 IKEARN C=CCn1c2ccccc2nc1SCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009609739 519267270 /nfs/dbraw/zinc/26/72/70/519267270.db2.gz NAMDDMJRMHHDQM-KRWDZBQOSA-N 0 0 448.617 5.330 50 30 IKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(OC)c(OC)c3)c12 ZINC000096925847 519267965 /nfs/dbraw/zinc/26/79/65/519267965.db2.gz WUVIZMHXRPVSSK-KHPPLWFESA-N 0 0 435.911 5.350 50 30 IKEARN C=CCn1cc(OC(=O)c2ccccc2)c2c3nc4ccccc4n3c(-c3ccccc3)nc21 ZINC000002453308 519283502 /nfs/dbraw/zinc/28/35/02/519283502.db2.gz ONKNLWWQGGGVSA-UHFFFAOYSA-N 0 0 444.494 5.909 50 30 IKEARN CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000012149824 519345220 /nfs/dbraw/zinc/34/52/20/519345220.db2.gz ABCAFUMKOZACJB-UHFFFAOYSA-N 0 0 446.550 5.993 50 30 IKEARN CC(=O)/C(=N\Nc1cccc(C)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000001824208 519353010 /nfs/dbraw/zinc/35/30/10/519353010.db2.gz JBTUNFLRDJYKFS-SLEBQGDGSA-N 0 0 427.533 5.349 50 30 IKEARN CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000012856300 519406024 /nfs/dbraw/zinc/40/60/24/519406024.db2.gz BEFUWMVQNXRZDW-OLILMLBXSA-N 0 0 438.571 7.337 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1cccc(C)c1C ZINC000012971730 519474041 /nfs/dbraw/zinc/47/40/41/519474041.db2.gz PCDXDIXRGJAOJW-VAWYXSNFSA-N 0 0 444.478 6.359 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1)c1cccc(C)c1C ZINC000013004639 519474351 /nfs/dbraw/zinc/47/43/51/519474351.db2.gz JWKVXIWFKUSJAL-CSKARUKUSA-N 0 0 445.371 6.647 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000012381904 519476923 /nfs/dbraw/zinc/47/69/23/519476923.db2.gz QMJDXUNAWVEDGN-NIYFSFCBSA-N 0 0 426.516 5.836 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000017163298 519583205 /nfs/dbraw/zinc/58/32/05/519583205.db2.gz VUJKUSLQOGJVTJ-VWLOTQADSA-N 0 0 447.535 5.784 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009008062 519583881 /nfs/dbraw/zinc/58/38/81/519583881.db2.gz HPKWGWGFCANSHR-VWLOTQADSA-N 0 0 447.535 5.784 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000001481047 519640433 /nfs/dbraw/zinc/64/04/33/519640433.db2.gz MAZMYUIRJFIAFD-MMTVBGGISA-N 0 0 440.518 6.055 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257350704 519645719 /nfs/dbraw/zinc/64/57/19/519645719.db2.gz ZJFYDPFCQFKJHC-KPZHCCQSSA-N 0 0 430.677 7.740 50 30 IKEARN CC(C)CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C#N ZINC000035841200 519652670 /nfs/dbraw/zinc/65/26/70/519652670.db2.gz GUVLCCNFQPGFNR-UHFFFAOYSA-N 0 0 439.525 6.475 50 30 IKEARN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000014606050 519734628 /nfs/dbraw/zinc/73/46/28/519734628.db2.gz FFFJCFKUYPGQSU-SANMLTNESA-N 0 0 449.570 5.214 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 ZINC000253505641 519757848 /nfs/dbraw/zinc/75/78/48/519757848.db2.gz VOETZVYTDQTIBX-BYSIFKIXSA-N 0 0 446.588 5.239 50 30 biogenic IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1 ZINC000253505649 519757871 /nfs/dbraw/zinc/75/78/71/519757871.db2.gz VOETZVYTDQTIBX-PRYWJBBPSA-N 0 0 446.588 5.239 50 30 biogenic IKEARN CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000036245398 519761976 /nfs/dbraw/zinc/76/19/76/519761976.db2.gz NTITWBAYXKMOTE-BLEOTABNSA-N 0 0 442.584 6.526 50 30 IKEARN CC(C)Oc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 ZINC000013654447 519778583 /nfs/dbraw/zinc/77/85/83/519778583.db2.gz HCQMJDSGYZKMNP-HKWRFOASSA-N 0 0 428.444 5.947 50 30 IKEARN CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1 ZINC000013568550 519781650 /nfs/dbraw/zinc/78/16/50/519781650.db2.gz VNLHLXBIHDGYKZ-HFJWLAOPSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1 ZINC000013568553 519782017 /nfs/dbraw/zinc/78/20/17/519782017.db2.gz VNLHLXBIHDGYKZ-DWXRJYCRSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Oc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccccc1 ZINC000015906392 519782060 /nfs/dbraw/zinc/78/20/60/519782060.db2.gz KFHRCXTYVDIAPE-QHCPKHFHSA-N 0 0 426.438 5.949 50 30 IKEARN CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000012629995 519782131 /nfs/dbraw/zinc/78/21/31/519782131.db2.gz ZCMMOHVFOJDQGY-QRVIBDJDSA-N 0 0 428.513 5.735 50 30 IKEARN CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000013568545 519784918 /nfs/dbraw/zinc/78/49/18/519784918.db2.gz XNPQQCZYFCCLKP-WGDIFIGCSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000001421947 519788648 /nfs/dbraw/zinc/78/86/48/519788648.db2.gz WICGYMIPKFLOTE-CYBMUJFWSA-N 0 0 433.624 5.264 50 30 IKEARN CC(C)c1ccc(CN=Nc2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1 ZINC000008867524 519834303 /nfs/dbraw/zinc/83/43/03/519834303.db2.gz DSEOJZABDZMXKF-MFKUBSTISA-N 0 0 446.601 6.693 50 30 IKEARN CC(C)c1ccc(CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)C2CC2)cc1 ZINC000057296820 519835778 /nfs/dbraw/zinc/83/57/78/519835778.db2.gz IGSAAGVNYYTPEM-UHFFFAOYSA-N 0 0 446.620 5.148 50 30 IKEARN CC(C)c1ccc(NC(=NC(=O)c2ccc(F)cc2)NCCc2c[nH]c3ccccc23)cc1 ZINC000032943367 519836705 /nfs/dbraw/zinc/83/67/05/519836705.db2.gz JKEMKXREMUPQQP-UHFFFAOYSA-N 0 0 442.538 5.871 50 30 IKEARN CC(C)c1ccc(OCc2ccc(/C=C/C(=O)c3ccc(Cc4ccccc4)s3)o2)cc1 ZINC000036611175 519838347 /nfs/dbraw/zinc/83/83/47/519838347.db2.gz KKQTWSYDITWKDE-JQIJEIRASA-N 0 0 442.580 7.530 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009374102 519840103 /nfs/dbraw/zinc/84/01/03/519840103.db2.gz NFUIYLGWKYQGAO-UNMCSNQZSA-N 0 0 439.939 5.221 50 30 IKEARN CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3)C2)cc1 ZINC000009546509 519840234 /nfs/dbraw/zinc/84/02/34/519840234.db2.gz ACPGPSJEZKUOPU-SKCUWOTOSA-N 0 0 433.555 6.575 50 30 IKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000006720431 519870447 /nfs/dbraw/zinc/87/04/47/519870447.db2.gz ZGGNOOHKJBNGBI-MHZLTWQESA-N 0 0 431.580 5.840 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C ZINC000098018030 519961530 /nfs/dbraw/zinc/96/15/30/519961530.db2.gz KINBMIOQBDQNOC-UHFFFAOYSA-N 0 0 426.601 5.448 50 30 IKEARN CCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097950785 519963401 /nfs/dbraw/zinc/96/34/01/519963401.db2.gz RSDDXNATUIZKTN-OAHLLOKOSA-N 0 0 434.622 6.578 50 30 IKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000097950718 519963665 /nfs/dbraw/zinc/96/36/65/519963665.db2.gz PXWLNWWENDKUQZ-INIZCTEOSA-N 0 0 438.852 5.454 50 30 IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC ZINC000014252121 519968872 /nfs/dbraw/zinc/96/88/72/519968872.db2.gz YYMMCKTYZLLVOG-SEYXRHQNSA-N 0 0 447.660 7.688 50 30 IKEARN CCCCCCCC12CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 ZINC000002049160 519970654 /nfs/dbraw/zinc/97/06/54/519970654.db2.gz JYTHJSOYGHZZCH-UHFFFAOYSA-N 0 0 429.604 7.832 50 30 IKEARN CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000102997945 519975829 /nfs/dbraw/zinc/97/58/29/519975829.db2.gz PJGXVAWVRSRVFI-IBGZPJMESA-N 0 0 428.602 5.275 50 30 IKEARN CCCCCCCCCC(=O)N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097950790 519977078 /nfs/dbraw/zinc/97/70/78/519977078.db2.gz NUENIKSMRXNLSG-NRFANRHFSA-N 0 0 443.846 7.205 50 30 IKEARN CCCCCCCCCCCC(=O)Nc1nnc(SCc2cccc(OC)c2)s1 ZINC000098021567 519984074 /nfs/dbraw/zinc/98/40/74/519984074.db2.gz UEOQYAQLEZAYKZ-UHFFFAOYSA-N 0 0 435.659 6.698 50 30 IKEARN CCCCCCCCCCCC1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000100723328 519986483 /nfs/dbraw/zinc/98/64/83/519986483.db2.gz QVDQYWSCHHFLLV-UHFFFAOYSA-N 0 0 427.673 7.413 50 30 IKEARN CCCCCCCCCCCCCC(=O)N(CCCOC)CC(=O)Nc1cc(C)on1 ZINC000103000686 519987585 /nfs/dbraw/zinc/98/75/85/519987585.db2.gz TZMSPZXNRJBFTO-UHFFFAOYSA-N 0 0 437.625 5.488 50 30 IKEARN CCCCCCCCCCCCCC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000070672739 519988305 /nfs/dbraw/zinc/98/83/05/519988305.db2.gz CBPKWLIFGPUCSA-UHFFFAOYSA-N 0 0 441.616 6.104 50 30 biogenic IKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl ZINC000097976978 519988639 /nfs/dbraw/zinc/98/86/39/519988639.db2.gz DZKDTGRLPNLYGZ-SFHVURJKSA-N 0 0 429.904 6.888 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1Cl ZINC000033354495 519993019 /nfs/dbraw/zinc/99/30/19/519993019.db2.gz DKYGDUUPMLBHGU-UHFFFAOYSA-N 0 0 438.096 8.097 50 30 biogenic IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(SC)cc1 ZINC000100853202 519994457 /nfs/dbraw/zinc/99/44/57/519994457.db2.gz FXWPOPNYLDEGAO-UHFFFAOYSA-N 0 0 434.734 8.792 50 30 IKEARN CCCCCCCCCCCCCCCCN(C)C(=S)c1ccc(OC)c(OC)c1 ZINC000101017431 519998126 /nfs/dbraw/zinc/99/81/26/519998126.db2.gz NKOAWBQSDCZAHN-UHFFFAOYSA-N 0 0 435.718 7.792 50 30 IKEARN CCCCCCCCCCCCCCCCNc1ncnc2sc3c(c21)CCCC3 ZINC000096021482 520001995 /nfs/dbraw/zinc/00/19/95/520001995.db2.gz NKULGBGRFQDMQW-UHFFFAOYSA-N 0 0 429.718 8.463 50 30 IKEARN CCCCCCCCCCCCCCCCSc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000101016067 520003930 /nfs/dbraw/zinc/00/39/30/520003930.db2.gz XAZYSNBDKXUVIR-UHFFFAOYSA-N 0 0 437.646 7.955 50 30 IKEARN CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O ZINC000008448972 520011890 /nfs/dbraw/zinc/01/18/90/520011890.db2.gz DLJVZDBDEACPBV-UHFFFAOYSA-N 0 0 449.591 6.873 50 30 IKEARN CCCCCCCCCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000008425691 520014879 /nfs/dbraw/zinc/01/48/79/520014879.db2.gz KWJPLUQAMNFFRD-UHFFFAOYSA-N 0 0 436.666 5.482 50 30 IKEARN CCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCC ZINC000077922757 520018457 /nfs/dbraw/zinc/01/84/57/520018457.db2.gz BNQWRXQKMFZWNF-UHFFFAOYSA-N 0 0 426.682 7.915 50 30 IKEARN CCCCCCCCCCOc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1 ZINC000105929715 520021033 /nfs/dbraw/zinc/02/10/33/520021033.db2.gz DMTUOWAZJDFZSU-UNOMPAQXSA-N 0 0 443.425 7.865 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000097953937 520028063 /nfs/dbraw/zinc/02/80/63/520028063.db2.gz JVAONTSLNCYECV-HSZRJFAPSA-N 0 0 431.624 7.006 50 30 IKEARN CCCCCCCCCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000102818092 520028968 /nfs/dbraw/zinc/02/89/68/520028968.db2.gz YPAQBKYKMFJKJN-UHFFFAOYSA-N 0 0 444.579 6.372 50 30 IKEARN CCCCCCCCCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951139 520029263 /nfs/dbraw/zinc/02/92/63/520029263.db2.gz HJCOIRSTUPFQQS-UHFFFAOYSA-N 0 0 429.655 6.934 50 30 IKEARN CCCCCCCCNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000003049971 520035748 /nfs/dbraw/zinc/03/57/48/520035748.db2.gz HBDBVCQUXNQZNG-UHFFFAOYSA-N 0 0 431.374 5.792 50 30 IKEARN CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC ZINC000059479204 520038771 /nfs/dbraw/zinc/03/87/71/520038771.db2.gz MIMDHDXOBDPUQW-UHFFFAOYSA-N 0 0 426.682 7.915 50 30 IKEARN CCCCCCCCOc1ccc(/C=N/n2cnc3c4cc(OC)ccc4[nH]c3c2=O)cc1 ZINC000002274756 520044218 /nfs/dbraw/zinc/04/42/18/520044218.db2.gz NJFMOJCCFWBABT-OGLMXYFKSA-N 0 0 446.551 5.508 50 30 IKEARN CCCCCCCCSc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000053291931 520045469 /nfs/dbraw/zinc/04/54/69/520045469.db2.gz XWMSZENHXGPICT-UHFFFAOYSA-N 0 0 429.655 6.852 50 30 IKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 ZINC000050704708 520047186 /nfs/dbraw/zinc/04/71/86/520047186.db2.gz DVORVOXRCXVUGB-UHFFFAOYSA-N 0 0 428.555 7.453 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cc2)cc1 ZINC000244947651 520049725 /nfs/dbraw/zinc/04/97/25/520049725.db2.gz DUORJTVBVQJQNS-QZFRTWIZSA-N 0 0 448.691 8.874 50 30 biogenic IKEARN CCCCCCCCn1cc(OC(=O)CCC)c2c3nc4ccccc4n3c(CCC)nc21 ZINC000097955841 520051290 /nfs/dbraw/zinc/05/12/90/520051290.db2.gz PJVFTTOQYGMEIT-UHFFFAOYSA-N 0 0 448.611 6.856 50 30 IKEARN CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000036330844 520051998 /nfs/dbraw/zinc/05/19/98/520051998.db2.gz QKJLDOBXDUVGEE-UHFFFAOYSA-N 0 0 430.583 7.558 50 30 investigational IKEARN CCCCCCCNC(=O)CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000059681914 520053258 /nfs/dbraw/zinc/05/32/58/520053258.db2.gz MGGNTFJKZBVEHH-UHFFFAOYSA-N 0 0 449.664 7.093 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002395971 520054231 /nfs/dbraw/zinc/05/42/31/520054231.db2.gz JQDAUBHFDRHRGN-UHFFFAOYSA-N 0 0 435.959 5.510 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000101285174 520060413 /nfs/dbraw/zinc/06/04/13/520060413.db2.gz GGPNJRMHXXUPKQ-HSZRJFAPSA-N 0 0 448.523 5.747 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002376889 520062541 /nfs/dbraw/zinc/06/25/41/520062541.db2.gz GDSACPYKDMDFFC-UHFFFAOYSA-N 0 0 432.524 5.292 50 30 IKEARN CCCCCCCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 ZINC000070698690 520063683 /nfs/dbraw/zinc/06/36/83/520063683.db2.gz GZOLCLJYUZVNFN-NUKVQWKISA-N 0 0 446.635 6.371 50 30 biogenic IKEARN CCCCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000053319380 520065573 /nfs/dbraw/zinc/06/55/73/520065573.db2.gz ZFDKBLLHPFZCGK-UHFFFAOYSA-N 0 0 447.673 7.848 50 30 IKEARN CCCCCCCc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1 ZINC000100917918 520070528 /nfs/dbraw/zinc/07/05/28/520070528.db2.gz HUNXAMJCNBVBKA-DEOSSOPVSA-N 0 0 429.560 5.941 50 30 IKEARN CCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cn3)cc2)nc1 ZINC000100640664 520070588 /nfs/dbraw/zinc/07/05/88/520070588.db2.gz YVKGLXHIFPHOOC-UHFFFAOYSA-N 0 0 428.664 8.836 50 30 IKEARN CCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC ZINC000016035620 520105817 /nfs/dbraw/zinc/10/58/17/520105817.db2.gz JZQUDYXBJCQZOK-QHCPKHFHSA-N 0 0 438.593 5.330 50 30 IKEARN CCC(=[NH+]CCc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100700502 520176099 /nfs/dbraw/zinc/17/60/99/520176099.db2.gz XQDIFZJEMMZGMK-YSMPRRRNSA-N 0 0 444.482 5.236 50 30 IKEARN CCC(=NOC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2F)cc1 ZINC000012369200 520179542 /nfs/dbraw/zinc/17/95/42/520179542.db2.gz ADZBNKGIVDPVME-SZXQPVLSSA-N 0 0 431.294 7.162 50 30 IKEARN CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2C)C2=C1CC(C)(C)CC2=O ZINC000004562816 520180311 /nfs/dbraw/zinc/18/03/11/520180311.db2.gz AZLMWOPPVMGINQ-UHFFFAOYSA-N 0 0 433.636 6.871 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002063671 520206211 /nfs/dbraw/zinc/20/62/11/520206211.db2.gz YSOPWYFBRTXKDH-LJQANCHMSA-N 0 0 432.358 5.006 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002073017 520208414 /nfs/dbraw/zinc/20/84/14/520208414.db2.gz NEUHYIQTLUDKOE-KSFYIVLOSA-N 0 0 441.980 5.716 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000002055268 520228458 /nfs/dbraw/zinc/22/84/58/520228458.db2.gz AYGHXYLBSIVJOB-OAQYLSRUSA-N 0 0 449.513 6.043 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1 ZINC000009310991 520256123 /nfs/dbraw/zinc/25/61/23/520256123.db2.gz XHRDLOUUSUROGU-IBGZPJMESA-N 0 0 428.370 6.263 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1 ZINC000019418910 520257327 /nfs/dbraw/zinc/25/73/27/520257327.db2.gz JCAWEFSPUMOZHL-UHFFFAOYSA-N 0 0 428.370 5.422 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000008544620 520257344 /nfs/dbraw/zinc/25/73/44/520257344.db2.gz JAWWFVQQVILJMR-RUZDIDTESA-N 0 0 431.535 6.291 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(Cl)ccc1N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012856892 520260837 /nfs/dbraw/zinc/26/08/37/520260837.db2.gz PYHDSFIVPNGLHK-FQEVSTJZSA-N 0 0 432.307 6.124 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Br)cc1 ZINC000009635939 520261029 /nfs/dbraw/zinc/26/10/29/520261029.db2.gz FMSCHFWHVYOSSH-QFIPXVFZSA-N 0 0 432.361 6.803 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccccn1 ZINC000012384440 520261879 /nfs/dbraw/zinc/26/18/79/520261879.db2.gz NLCMJXJYNAJVLZ-MHZLTWQESA-N 0 0 437.543 5.467 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2/C=C\c1ccccc1 ZINC000033780139 520262258 /nfs/dbraw/zinc/26/22/58/520262258.db2.gz MEBYLSQVZSCHEG-FFFOYBKKSA-N 0 0 448.566 6.484 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1cccs1 ZINC000015826294 520262380 /nfs/dbraw/zinc/26/23/80/520262380.db2.gz HNFFZLOPTYTOMB-JOCHJYFZSA-N 0 0 434.586 6.266 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1ccc(F)cc1 ZINC000021722166 520262387 /nfs/dbraw/zinc/26/23/87/520262387.db2.gz ZANWQEGAPSFBSQ-RUZDIDTESA-N 0 0 447.554 6.094 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000000997340 520262647 /nfs/dbraw/zinc/26/26/47/520262647.db2.gz NZUPJUOBQUUWIH-XMMPIXPASA-N 0 0 446.934 6.390 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1ccccc1 ZINC000021722087 520262824 /nfs/dbraw/zinc/26/28/24/520262824.db2.gz AAXDOSGNAXKKMX-RUZDIDTESA-N 0 0 429.564 5.955 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@@H]2c1ccco1 ZINC000020503211 520263884 /nfs/dbraw/zinc/26/38/84/520263884.db2.gz JMKHRWRTKOJKCW-AREMUKBSSA-N 0 0 441.531 5.535 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccccc1Cl ZINC000009313317 520266380 /nfs/dbraw/zinc/26/63/80/520266380.db2.gz YLBHACCMDZAHFA-MHZLTWQESA-N 0 0 442.990 7.157 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2ccc(F)cc2)C1 ZINC000010035399 520268092 /nfs/dbraw/zinc/26/80/92/520268092.db2.gz QXNPTXXBRHSOKJ-NRFANRHFSA-N 0 0 434.540 5.368 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1OCC(N)=O ZINC000000684838 520269232 /nfs/dbraw/zinc/26/92/32/520269232.db2.gz JHFCDXVXPJCLHW-AREMUKBSSA-N 0 0 426.516 5.013 50 30 IKEARN CC1(C)CC(=O)C=C(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1 ZINC000001038113 520271808 /nfs/dbraw/zinc/27/18/08/520271808.db2.gz VUUDWEYEOVQVIE-UHFFFAOYSA-N 0 0 443.434 5.722 50 30 IKEARN CC1(C)CC(=O)[C@@H]([C@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1 ZINC000005180184 520275110 /nfs/dbraw/zinc/27/51/10/520275110.db2.gz BSMWLMCESYEKFA-BXVNPGGSSA-N 0 0 426.560 6.061 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)c1=O ZINC000097474805 520278463 /nfs/dbraw/zinc/27/84/63/520278463.db2.gz LSXHQQBCFABOJC-YHYXMXQVSA-N 0 0 426.232 5.156 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 ZINC000038204171 520324927 /nfs/dbraw/zinc/32/49/27/520324927.db2.gz BCKXJZBWRSMESK-OQKWZONESA-N 0 0 443.499 6.057 50 30 IKEARN CCCOc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 ZINC000008992510 520325685 /nfs/dbraw/zinc/32/56/85/520325685.db2.gz HMQNYQUMXHEEJF-SILNSSARSA-N 0 0 428.444 5.948 50 30 IKEARN CC1(C)CCC[C@@](C)(C#CCN2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)O1 ZINC000020648827 520351058 /nfs/dbraw/zinc/35/10/58/520351058.db2.gz NSPYZZFXRIZTQP-NDEPHWFRSA-N 0 0 443.591 5.229 50 30 IKEARN CCOC(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1 ZINC000006544783 520391368 /nfs/dbraw/zinc/39/13/68/520391368.db2.gz YXMGRHSZZFWEFN-XMHGGMMESA-N 0 0 425.278 5.539 50 30 IKEARN CCOC(=O)C(=NNc1ccc(Br)cc1)c1csc(Nc2ccccc2)n1 ZINC000015636972 520394870 /nfs/dbraw/zinc/39/48/70/520394870.db2.gz WVXBDDVKNDWLSK-JJIBRWJFSA-N 0 0 445.342 5.029 50 30 IKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000008440877 520432169 /nfs/dbraw/zinc/43/21/69/520432169.db2.gz QMJRWRUJGMKUMR-QHCPKHFHSA-N 0 0 431.488 5.155 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020027282 520496829 /nfs/dbraw/zinc/49/68/29/520496829.db2.gz AOGQNRPFLLDBII-VWLOTQADSA-N 0 0 445.559 5.433 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 ZINC000020647295 520497037 /nfs/dbraw/zinc/49/70/37/520497037.db2.gz AZPMQJLSOPGEAK-HMAPJEAMSA-N 0 0 448.390 6.717 50 30 IKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)cc1OC)O2 ZINC000020648040 520497112 /nfs/dbraw/zinc/49/71/12/520497112.db2.gz OWNLSVNACKUEPW-IWIPYMOSSA-N 0 0 439.552 5.428 50 30 IKEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCCc1ccccc1 ZINC000009065460 520499247 /nfs/dbraw/zinc/49/92/47/520499247.db2.gz HXZCTARDRJIIEL-QFIPXVFZSA-N 0 0 443.595 5.002 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(O)cc1C ZINC000013286337 520556981 /nfs/dbraw/zinc/55/69/81/520556981.db2.gz KMESQZRQUHUZEG-BEIQUOEZSA-N 0 0 425.579 5.475 50 30 IKEARN CC1(C)C[C@H](n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 ZINC000002350870 520559125 /nfs/dbraw/zinc/55/91/25/520559125.db2.gz CNXKGAYZXKRWOO-GOSISDBHSA-N 0 0 435.593 5.024 50 30 biogenic IKEARN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)c(Cl)c1 ZINC000100117641 520572548 /nfs/dbraw/zinc/57/25/48/520572548.db2.gz NKVBMEVULBJSKQ-CMCXOAPSSA-N 0 0 449.381 6.949 50 30 IKEARN CC1(C)[C@@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000013827939 520627273 /nfs/dbraw/zinc/62/72/73/520627273.db2.gz ZXQYGBMAQZUVMI-GCMPRSNUSA-N 0 0 449.856 6.544 50 30 in-vitro IKEARN CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)ccc1O ZINC000033097087 520647275 /nfs/dbraw/zinc/64/72/75/520647275.db2.gz AHQKVZCGGJHCHU-TWILBZOKSA-N 0 0 438.597 5.783 50 30 IKEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000000689050 520692607 /nfs/dbraw/zinc/69/26/07/520692607.db2.gz WBYPPWIYOVLUKO-UHFFFAOYSA-N 0 0 443.543 5.365 50 30 IKEARN CCCCOC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl ZINC000013603149 520720776 /nfs/dbraw/zinc/72/07/76/520720776.db2.gz HVYOIKYEKSBWKE-HMAPJEAMSA-N 0 0 438.932 6.886 50 30 IKEARN CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)ccc1OC ZINC000021349715 520788150 /nfs/dbraw/zinc/78/81/50/520788150.db2.gz QBUAXCKLUMGEGR-FYSMJZIKSA-N 0 0 446.503 5.054 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000008415275 520811410 /nfs/dbraw/zinc/81/14/10/520811410.db2.gz RLAAGAQFHFKTRS-OAQYLSRUSA-N 0 0 444.428 5.451 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000012416393 520811469 /nfs/dbraw/zinc/81/14/69/520811469.db2.gz SQHYDVPMWNWVHI-NSYGIPOTSA-N 0 0 441.556 5.143 50 30 IKEARN CCOc1ccc(-c2csc(C(C#N)=NNc3ccc(Br)cc3)n2)cc1 ZINC000011852447 520811694 /nfs/dbraw/zinc/81/16/94/520811694.db2.gz HTKHIBVBKJQYSM-JJIBRWJFSA-N 0 0 427.327 5.311 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 ZINC000019799458 520815242 /nfs/dbraw/zinc/81/52/42/520815242.db2.gz WJGIWTPPFQCWIF-RUZDIDTESA-N 0 0 431.532 5.185 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001082101 520817059 /nfs/dbraw/zinc/81/70/59/520817059.db2.gz KCENSAJUJSBWMW-JPYJTQIMSA-N 0 0 436.939 5.048 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781282 520819489 /nfs/dbraw/zinc/81/94/89/520819489.db2.gz VNTBBYYGWZQXCW-UZUQRXQVSA-N 0 0 437.561 5.015 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000792610 520819553 /nfs/dbraw/zinc/81/95/53/520819553.db2.gz TZQLJEPCNXUWFA-RLWLMLJZSA-N 0 0 442.559 5.319 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019855328 520820330 /nfs/dbraw/zinc/82/03/30/520820330.db2.gz PUMHXNHZVUZKGS-CJFMBICVSA-N 0 0 433.523 5.387 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001184507 520820398 /nfs/dbraw/zinc/82/03/98/520820398.db2.gz XWIKZAASTVWJOU-IIBYNOLFSA-N 0 0 427.591 5.370 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001022102 520820423 /nfs/dbraw/zinc/82/04/23/520820423.db2.gz JMIPJZLQDGJHKC-DCFHFQCYSA-N 0 0 442.559 5.319 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001202576 520820535 /nfs/dbraw/zinc/82/05/35/520820535.db2.gz VAHSKKMELNMDEV-KBMIEXCESA-N 0 0 433.523 5.387 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000000710572 520823677 /nfs/dbraw/zinc/82/36/77/520823677.db2.gz NOPGTQHGCKXWIJ-DEOSSOPVSA-N 0 0 433.523 5.216 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000000826317 520825960 /nfs/dbraw/zinc/82/59/60/520825960.db2.gz GDWRIOUHCKMNGU-JOCHJYFZSA-N 0 0 441.449 5.417 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC ZINC000008438961 520849437 /nfs/dbraw/zinc/84/94/37/520849437.db2.gz BMJMLUVREAWAQT-AKCPTTJYSA-N 0 0 436.455 5.347 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2)c2nc3ccccc3o2)cc1 ZINC000009030800 520856997 /nfs/dbraw/zinc/85/69/97/520856997.db2.gz KWKADBTYZZWNIH-NKFKGCMQSA-N 0 0 427.500 6.439 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccccc2Cl)c2nc3ccccc3o2)cc1 ZINC000008437032 520857672 /nfs/dbraw/zinc/85/76/72/520857672.db2.gz GRRBNEFLAINRPX-FXBPSFAMSA-N 0 0 431.919 7.084 50 30 IKEARN CCCCOc1ccc(C(=O)/C(=C/c2cccc(Cl)c2)c2nc3ccccc3o2)cc1 ZINC000011859533 520857841 /nfs/dbraw/zinc/85/78/41/520857841.db2.gz PZLUQDFOQWCIRS-XLNRJJMWSA-N 0 0 431.919 7.084 50 30 IKEARN CCOc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000013576719 520860111 /nfs/dbraw/zinc/86/01/11/520860111.db2.gz XZNYWKZYTUABSV-DZNDYGJHSA-N 0 0 444.556 6.293 50 30 IKEARN CCOc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000008915575 520872682 /nfs/dbraw/zinc/87/26/82/520872682.db2.gz ZSBOCSJLGCTJOY-HMMYKYKNSA-N 0 0 429.472 5.667 50 30 IKEARN CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccc(F)cc1 ZINC000012416808 520887531 /nfs/dbraw/zinc/88/75/31/520887531.db2.gz ZJMBHJBTIBZBMZ-UHFFFAOYSA-N 0 0 436.371 5.566 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000051366954 520895300 /nfs/dbraw/zinc/89/53/00/520895300.db2.gz FMMOZPPXADXNAA-FAZMWWMKSA-N 0 0 448.361 5.222 50 30 IKEARN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)cc1 ZINC000012589573 520896197 /nfs/dbraw/zinc/89/61/97/520896197.db2.gz OBMCIYAZZWVEQS-DEOSSOPVSA-N 0 0 442.563 5.782 50 30 IKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000012410738 520896217 /nfs/dbraw/zinc/89/62/17/520896217.db2.gz ZBZQSFQNKPWGHL-SANMLTNESA-N 0 0 437.543 6.387 50 30 IKEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000009272294 520896726 /nfs/dbraw/zinc/89/67/26/520896726.db2.gz NVHYTASQZUFVJY-VOSQQLOXSA-N 0 0 444.398 5.392 50 30 IKEARN CCOc1ccc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCC ZINC000012759166 520953997 /nfs/dbraw/zinc/95/39/97/520953997.db2.gz DUFDRRFYXQCPCC-UHFFFAOYSA-N 0 0 446.572 5.479 50 30 IKEARN CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000100221266 521015789 /nfs/dbraw/zinc/01/57/89/521015789.db2.gz HIJAXYPXZLERBN-CVKSISIWSA-N 0 0 445.028 6.492 50 30 IKEARN CCOc1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000006296266 521031838 /nfs/dbraw/zinc/03/18/38/521031838.db2.gz JIXRALDUESHLDT-UHFFFAOYSA-N 0 0 428.941 5.295 50 30 IKEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)CCCC1=O ZINC000100140305 521069185 /nfs/dbraw/zinc/06/91/85/521069185.db2.gz GOJIBCJRFNYELA-UHFFFAOYSA-N 0 0 430.548 5.174 50 30 IKEARN CCOc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 ZINC000021722326 521091717 /nfs/dbraw/zinc/09/17/17/521091717.db2.gz MPPAOJDPMZISDT-VWLOTQADSA-N 0 0 443.503 5.891 50 30 IKEARN CCCC[C@@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@@H]2C1(C)C ZINC000008384846 521122507 /nfs/dbraw/zinc/12/25/07/521122507.db2.gz WEAZETIELYIGMB-PBNUPURSSA-N 0 0 430.386 5.636 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018254418 521169215 /nfs/dbraw/zinc/16/92/15/521169215.db2.gz USRVMCCQMYGPRS-AREMUKBSSA-N 0 0 430.592 6.537 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012648739 521169375 /nfs/dbraw/zinc/16/93/75/521169375.db2.gz YLNFDTSZCDVHIG-QUGAMOGWSA-N 0 0 446.934 6.244 50 30 IKEARN CCC(=O)Nc1ccccc1Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000012369987 521230204 /nfs/dbraw/zinc/23/02/04/521230204.db2.gz MCFXVRCRQONACQ-UHFFFAOYSA-N 0 0 433.480 6.200 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008413556 521232454 /nfs/dbraw/zinc/23/24/54/521232454.db2.gz WTIZSDUJURQMSX-XMMPIXPASA-N 0 0 445.563 5.031 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000000709536 521245359 /nfs/dbraw/zinc/24/53/59/521245359.db2.gz JQNXMVSIJFLSCI-NGOKVRLYSA-N 0 0 440.543 6.073 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000021660455 521248089 /nfs/dbraw/zinc/24/80/89/521248089.db2.gz IZMNHMUWDJVXOA-HOYKHHGWSA-N 0 0 430.504 5.349 50 30 IKEARN CCOC(=O)[C@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(Cl)cc1Cl ZINC000012859061 521254150 /nfs/dbraw/zinc/25/41/50/521254150.db2.gz MDFJEMXDADDZCP-ZTWLKVPMSA-N 0 0 440.298 5.016 50 30 IKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000013568497 521268663 /nfs/dbraw/zinc/26/86/63/521268663.db2.gz APWHKHLFUGVKQB-RTWAWAEBSA-N 0 0 433.548 5.222 50 30 IKEARN CCOc1ccc2c(c1)C(N=Nc1c(Cl)cncc1Cl)c1cc(OCC)ccc1-2 ZINC000008721884 521285610 /nfs/dbraw/zinc/28/56/10/521285610.db2.gz SPBFSJOUMHNYED-UHFFFAOYSA-N 0 0 428.319 6.031 50 30 IKEARN CCOc1ccc2ccccc2c1/C=C1\N=C(SCc2ccccc2Cl)SC1=O ZINC000015016449 521296666 /nfs/dbraw/zinc/29/66/66/521296666.db2.gz OQQGBIOKODNGGG-MOSHPQCFSA-N 0 0 439.989 6.796 50 30 IKEARN CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)c1O ZINC000038187790 521316835 /nfs/dbraw/zinc/31/68/35/521316835.db2.gz JOJIOOVINFSSSJ-WMMPRDMWSA-N 0 0 438.597 5.783 50 30 IKEARN CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2 ZINC000015946409 521448864 /nfs/dbraw/zinc/44/88/64/521448864.db2.gz CRDYAJAOFHPMQY-CVKSISIWSA-N 0 0 438.980 6.682 50 30 IKEARN CCOC(=O)c1cc2c(nc1C)-c1ccc([N+](=O)[O-])cc1/C2=N\c1cccc2ccccc21 ZINC000012410891 521450225 /nfs/dbraw/zinc/45/02/25/521450225.db2.gz AFNKSGZTBQRVCO-AZPGRJICSA-N 0 0 437.455 5.778 50 30 IKEARN CCOC(=O)c1ccc(N2C(SC)=N/C(=N\c3cccc(C)c3)C23CCCCC3)cc1 ZINC000012410930 521484103 /nfs/dbraw/zinc/48/41/03/521484103.db2.gz JCJOSZXCNPTOFQ-RWEWTDSWSA-N 0 0 435.593 6.144 50 30 IKEARN CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004136664 521509489 /nfs/dbraw/zinc/50/94/89/521509489.db2.gz NNQNRYRVBVWMBP-JZZXMACJSA-N 0 0 427.577 5.272 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Br)c1 ZINC000013286418 521513349 /nfs/dbraw/zinc/51/33/49/521513349.db2.gz GJKATFMHINJSFU-HSHHTGOPSA-N 0 0 446.395 5.443 50 30 IKEARN CCOc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000096179144 521532996 /nfs/dbraw/zinc/53/29/96/521532996.db2.gz LIPNXQLBCIZNOH-FPEJUQHSSA-N 0 0 445.544 5.250 50 30 IKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000008846664 521590263 /nfs/dbraw/zinc/59/02/63/521590263.db2.gz NVTWIXACOHQGCP-XGCWNURASA-N 0 0 444.962 6.718 50 30 IKEARN CCCc1sc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1Br ZINC000036611178 521612091 /nfs/dbraw/zinc/61/20/91/521612091.db2.gz LCKIZAZNPGSHGX-SDNWHVSQSA-N 0 0 441.390 6.938 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccccc2OCC)c(C)n1 ZINC000032972775 521649598 /nfs/dbraw/zinc/64/95/98/521649598.db2.gz GLFPUZYFJCTTPU-UHFFFAOYSA-N 0 0 447.583 5.015 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)cc(C)c2)c(C)n1 ZINC000032973016 521650320 /nfs/dbraw/zinc/65/03/20/521650320.db2.gz FOQBHRKWIBFUOS-UHFFFAOYSA-N 0 0 435.547 5.064 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cccc(C)c2C)c(C)n1 ZINC000032973022 521650818 /nfs/dbraw/zinc/65/08/18/521650818.db2.gz FHYHUBMHTHJINN-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN CCCC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1 ZINC000043761317 521658359 /nfs/dbraw/zinc/65/83/59/521658359.db2.gz AVFSWZKWOBOOCL-HAVVHWLPSA-N 0 0 434.790 6.842 50 30 IKEARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000058989389 521692923 /nfs/dbraw/zinc/69/29/23/521692923.db2.gz NQWXNQWTBURGDJ-HXUWFJFHSA-N 0 0 438.936 5.041 50 30 IKEARN CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 ZINC000036611433 521791481 /nfs/dbraw/zinc/79/14/81/521791481.db2.gz WXUXPDLOQYTIPZ-LSFURLLWSA-N 0 0 430.839 5.117 50 30 IKEARN CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 ZINC000036611402 521792021 /nfs/dbraw/zinc/79/20/21/521792021.db2.gz NODUABXAUIRUAN-FSJBWODESA-N 0 0 442.928 5.666 50 30 IKEARN CCc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O ZINC000020558820 521850025 /nfs/dbraw/zinc/85/00/25/521850025.db2.gz IBPARMHKZPYYRG-LFVJCYFKSA-N 0 0 432.545 5.044 50 30 IKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1cccc(Cl)c1 ZINC000036020650 521893587 /nfs/dbraw/zinc/89/35/87/521893587.db2.gz QEAYPERBFWMVJB-UHFFFAOYSA-N 0 0 447.966 6.102 50 30 IKEARN COC(=O)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101936116 521935945 /nfs/dbraw/zinc/93/59/45/521935945.db2.gz FSXRBMXJBAXAIR-JXKYSLRESA-N 0 0 442.540 5.146 50 30 IKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000013551599 521976134 /nfs/dbraw/zinc/97/61/34/521976134.db2.gz DOEFHXDBPMGCQF-JJFYIABZSA-N 0 0 443.351 6.911 50 30 IKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000013424186 521976971 /nfs/dbraw/zinc/97/69/71/521976971.db2.gz OERFJZDXUYBERT-HMAPJEAMSA-N 0 0 438.526 5.101 50 30 IKEARN COc1cc(/C=C\C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(Cl)c1OC(C)C ZINC000096925869 521982345 /nfs/dbraw/zinc/98/23/45/521982345.db2.gz OQQUIKPMQKEFJH-KHPPLWFESA-N 0 0 437.927 5.480 50 30 IKEARN COC(=O)c1ccc(COc2ccc(/C=C3\CCc4ccccc4C3=O)cc2OC)cc1 ZINC000014359364 522046090 /nfs/dbraw/zinc/04/60/90/522046090.db2.gz IRKZINSSXVGAGD-PXLXIMEGSA-N 0 0 428.484 5.273 50 30 IKEARN CC[C@H](C)n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(Br)o1 ZINC000015906032 522070219 /nfs/dbraw/zinc/07/02/19/522070219.db2.gz HOIJNJMZFIVZDO-NSHDSACASA-N 0 0 438.285 5.035 50 30 IKEARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)C=CNc3ccccc3Cl)cc2)n1 ZINC000091695702 522118901 /nfs/dbraw/zinc/11/89/01/522118901.db2.gz DDRXXVWCZAILBO-VAWYXSNFSA-N 0 0 445.872 6.295 50 30 IKEARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)C=CNc3ccc(Cl)cc3)cc2)n1 ZINC000091695692 522118998 /nfs/dbraw/zinc/11/89/98/522118998.db2.gz NATDDPSYIFBJRV-VAWYXSNFSA-N 0 0 445.872 6.295 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 ZINC000000662411 522243916 /nfs/dbraw/zinc/24/39/16/522243916.db2.gz GDAYKPCAGLNMJO-MHZLTWQESA-N 0 0 437.543 5.569 50 30 IKEARN CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000001066935 522249482 /nfs/dbraw/zinc/24/94/82/522249482.db2.gz JOSQWVUJSQNGPM-QHCPKHFHSA-N 0 0 446.934 5.185 50 30 IKEARN COC(=O)c1ccccc1NC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000095455159 522280332 /nfs/dbraw/zinc/28/03/32/522280332.db2.gz NOCCVRZBADLXHL-AWEZNQCLSA-N 0 0 446.315 5.149 50 30 IKEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000036611350 522780924 /nfs/dbraw/zinc/78/09/24/522780924.db2.gz DDYQWZFMVVLTKS-IFRROFPPSA-N 0 0 431.732 5.144 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(C)cc2)c1 ZINC000035847753 522839161 /nfs/dbraw/zinc/83/91/61/522839161.db2.gz QZCJBBHLNDSHIS-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000100775912 522869197 /nfs/dbraw/zinc/86/91/97/522869197.db2.gz LZFWNEIASLXRKR-XYGWBWBKSA-N 0 0 440.543 5.588 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1 ZINC000009010457 522883749 /nfs/dbraw/zinc/88/37/49/522883749.db2.gz HGIGHMZGXILPRD-JLCFBVMHSA-N 0 0 427.953 5.245 50 30 IKEARN COCc1cc(C)nc(N=NCc2ccccc2OCc2cccc3ccccc32)c1C#N ZINC000013174016 522916281 /nfs/dbraw/zinc/91/62/81/522916281.db2.gz ZQJUMGUSGGAEAG-MUFRIFMGSA-N 0 0 436.515 5.586 50 30 IKEARN COCc1cc(C)nc(N=NCc2cccc(OCc3cccc4ccccc43)c2)c1C#N ZINC000031833869 522919396 /nfs/dbraw/zinc/91/93/96/522919396.db2.gz NBHYDOIPYNPOQZ-MWLSYYOVSA-N 0 0 436.515 5.586 50 30 IKEARN COc1cc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc(OC)c1OC ZINC000102926259 522921967 /nfs/dbraw/zinc/92/19/67/522921967.db2.gz RGTFLSSVQLDBIG-NRFANRHFSA-N 0 0 445.515 5.490 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)C(C)C ZINC000001439922 522928470 /nfs/dbraw/zinc/92/84/70/522928470.db2.gz BOTROSLQYSNYBY-MHZLTWQESA-N 0 0 441.527 6.083 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O ZINC000013568561 522964643 /nfs/dbraw/zinc/96/46/43/522964643.db2.gz SWQKAUBNQMTHIB-WGDIFIGCSA-N 0 0 430.479 5.519 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O ZINC000013568559 522965485 /nfs/dbraw/zinc/96/54/85/522965485.db2.gz SWQKAUBNQMTHIB-MRDQGFSESA-N 0 0 430.479 5.519 50 30 IKEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000028052259 522968296 /nfs/dbraw/zinc/96/82/96/522968296.db2.gz LLRSHVCWDRHYSA-QRQCRPRQSA-N 0 0 436.895 5.309 50 30 IKEARN COc1cc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000000718231 522968562 /nfs/dbraw/zinc/96/85/62/522968562.db2.gz OQNRXDDJICPRGJ-QHCPKHFHSA-N 0 0 430.504 5.134 50 30 IKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)o1 ZINC000012419638 522974034 /nfs/dbraw/zinc/97/40/34/522974034.db2.gz DDVNIZFMKOWAJV-ZVHZXABRSA-N 0 0 428.404 5.522 50 30 IKEARN COc1cc2c(c(OC)c1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004794661 522994443 /nfs/dbraw/zinc/99/44/43/522994443.db2.gz ZMXMKVXAUOBSMP-HXUWFJFHSA-N 0 0 442.353 5.667 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(C)cc1 ZINC000035999625 523075955 /nfs/dbraw/zinc/07/59/55/523075955.db2.gz DJVFQKNCPSZHOP-UHFFFAOYSA-N 0 0 427.548 5.758 50 30 IKEARN COc1ccc(-c2cc(-c3cccs3)nc3sc(-c4ccc(C#N)cc4)c(N)c32)cc1 ZINC000012249688 523086359 /nfs/dbraw/zinc/08/63/59/523086359.db2.gz WGSAXRKJUORQJV-UHFFFAOYSA-N 0 0 439.565 6.821 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@@H]3C)n2)cc1 ZINC000012385125 523103687 /nfs/dbraw/zinc/10/36/87/523103687.db2.gz RSKKVRFQJUXVDX-AWEZNQCLSA-N 0 0 449.498 5.141 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 ZINC000103753028 523227502 /nfs/dbraw/zinc/22/75/02/523227502.db2.gz OVLXHURMZCFJIJ-JFLMPSFJSA-N 0 0 428.875 7.167 50 30 IKEARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009731752 523235306 /nfs/dbraw/zinc/23/53/06/523235306.db2.gz VGBRQKMWBAOVAT-NRFANRHFSA-N 0 0 434.927 5.265 50 30 IKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1OC ZINC000012500672 523240271 /nfs/dbraw/zinc/24/02/71/523240271.db2.gz RGMAHYZLFCSNQQ-GXDHUFHOSA-N 0 0 444.918 6.106 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21 ZINC000020649759 523304548 /nfs/dbraw/zinc/30/45/48/523304548.db2.gz MMZUPYWJHZJXHG-VEMXNMSTSA-N 0 0 446.547 5.366 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2ccccc21 ZINC000008993423 523305624 /nfs/dbraw/zinc/30/56/24/523305624.db2.gz KPFGZUKGBBDUER-CVKSISIWSA-N 0 0 439.511 6.173 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4ccc(OC)cc4)ccc3C2=O)c2ccccc21 ZINC000009422674 523307402 /nfs/dbraw/zinc/30/74/02/523307402.db2.gz JTVMDZNYILMNGU-VULFUBBASA-N 0 0 425.484 5.865 50 30 IKEARN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182556 523308740 /nfs/dbraw/zinc/30/87/40/523308740.db2.gz QHKGVINCSYUHQP-ZMFRSBBQSA-N 0 0 425.484 5.865 50 30 IKEARN COc1ccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000007061109 523319907 /nfs/dbraw/zinc/31/99/07/523319907.db2.gz AQPFSFCGGSNKDH-UHFFFAOYSA-N 0 0 443.572 5.282 50 30 biogenic IKEARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000012618678 523324704 /nfs/dbraw/zinc/32/47/04/523324704.db2.gz ABJWATXAIAYGDG-UHFFFAOYSA-N 0 0 442.544 5.073 50 30 IKEARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(C#N)c2)cc1 ZINC000023461242 523340214 /nfs/dbraw/zinc/34/02/14/523340214.db2.gz UUMGMTNGDDBUCR-UHFFFAOYSA-N 0 0 428.879 5.325 50 30 IKEARN C[N@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 ZINC000020625310 523343990 /nfs/dbraw/zinc/34/39/90/523343990.db2.gz KLJAKCYBBICKAM-JJFYIABZSA-N 0 0 440.326 5.947 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008888206 523357212 /nfs/dbraw/zinc/35/72/12/523357212.db2.gz HYENONJVQALLET-RFHOTIDYSA-N 0 0 426.343 6.727 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000012951715 523358392 /nfs/dbraw/zinc/35/83/92/523358392.db2.gz UKGQURNMPWDUHZ-RYTXTXLDSA-N 0 0 435.907 5.802 50 30 IKEARN COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012951693 523358417 /nfs/dbraw/zinc/35/84/17/523358417.db2.gz NSHLIMBWNHJGRP-UGNLZVGFSA-N 0 0 441.861 5.992 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000012951708 523358459 /nfs/dbraw/zinc/35/84/59/523358459.db2.gz UKGQURNMPWDUHZ-LYBVQYQHSA-N 0 0 435.907 5.802 50 30 IKEARN COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012951700 523359034 /nfs/dbraw/zinc/35/90/34/523359034.db2.gz NSHLIMBWNHJGRP-RFTNNARTSA-N 0 0 441.861 5.992 50 30 IKEARN COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008888200 523359036 /nfs/dbraw/zinc/35/90/36/523359036.db2.gz HYENONJVQALLET-AGIZDPOVSA-N 0 0 426.343 6.727 50 30 IKEARN COc1ccc(/C(C)=N/Nc2ncc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 ZINC000013896492 523362880 /nfs/dbraw/zinc/36/28/80/523362880.db2.gz XYEJOTJEMKZVMJ-JFLMPSFJSA-N 0 0 441.512 5.914 50 30 IKEARN COc1ccc(/C(C)=N/Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 ZINC000008873731 523363025 /nfs/dbraw/zinc/36/30/25/523363025.db2.gz BGCBIYHSUGAGIE-ORBVJSQLSA-N 0 0 429.320 5.479 50 30 IKEARN COc1ccc(/C=C/C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)c(OC)c1 ZINC000005401267 523406715 /nfs/dbraw/zinc/40/67/15/523406715.db2.gz DXFKNFZSPGMPRA-WYMLVPIESA-N 0 0 432.907 5.651 50 30 IKEARN COc1ccc(/C=C2\CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000008761962 523419949 /nfs/dbraw/zinc/41/99/49/523419949.db2.gz LHZZMHLXKOFUGQ-CZCOQVGXSA-N 0 0 448.559 5.477 50 30 biogenic IKEARN CC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000051366833 523421139 /nfs/dbraw/zinc/42/11/39/523421139.db2.gz OYEUKCYVXSYVKV-RCRZSSQQSA-N 0 0 430.371 5.002 50 30 IKEARN COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1OC ZINC000028541901 523423353 /nfs/dbraw/zinc/42/33/53/523423353.db2.gz ZMEZWWGCUFZDNP-YVNNLAQVSA-N 0 0 449.528 5.042 50 30 IKEARN COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c(OC)c1OC ZINC000011869806 523423997 /nfs/dbraw/zinc/42/39/97/523423997.db2.gz DNRUZMBZIWTRPE-QRVIBDJDSA-N 0 0 432.472 5.216 50 30 biogenic IKEARN COc1ccc(CN=NC(=S)Nc2ccccc2)cc1COc1ccc(F)cc1F ZINC000008691611 523441639 /nfs/dbraw/zinc/44/16/39/523441639.db2.gz JWLFCUTXESSEDM-DHRITJCHSA-N 0 0 427.476 5.284 50 30 IKEARN COc1ccc(/C=N/NC(=S)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1OCc1ccccc1 ZINC000012367899 523443257 /nfs/dbraw/zinc/44/32/57/523443257.db2.gz JZZUWEHFCXEDNH-LIVTULCWSA-N 0 0 439.625 5.287 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000008872765 523446184 /nfs/dbraw/zinc/44/61/84/523446184.db2.gz PMZDMSVPYBEBED-CVKSISIWSA-N 0 0 449.963 6.594 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC ZINC000033938389 523457276 /nfs/dbraw/zinc/45/72/76/523457276.db2.gz NLZRIDQQYQHPRR-GATIEOLUSA-N 0 0 436.821 5.279 50 30 IKEARN COc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 ZINC000057223517 523468760 /nfs/dbraw/zinc/46/87/60/523468760.db2.gz YQOVKDKXADMPFV-BTRCZGFISA-N 0 0 436.533 5.361 50 30 IKEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 ZINC000002184923 523468937 /nfs/dbraw/zinc/46/89/37/523468937.db2.gz ZFCGBTGMOXWFMB-HAHDFKILSA-N 0 0 446.528 5.174 50 30 IKEARN COc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 ZINC000033912216 523469493 /nfs/dbraw/zinc/46/94/93/523469493.db2.gz OAJMJRWJQMVKLI-QDJRPKQISA-N 0 0 445.569 5.874 50 30 IKEARN COc1ccc(Br)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1 ZINC000000696117 523487755 /nfs/dbraw/zinc/48/77/55/523487755.db2.gz MOWNCQBXBIQIBW-DEOSSOPVSA-N 0 0 434.333 6.284 50 30 IKEARN COc1ccc(C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000033735845 523535378 /nfs/dbraw/zinc/53/53/78/523535378.db2.gz KRMZCWQIFNPRJZ-UYRXBGFRSA-N 0 0 445.471 5.286 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000009013609 523539946 /nfs/dbraw/zinc/53/99/46/523539946.db2.gz QWZBKWLTZDKMOT-KPKJPENVSA-N 0 0 437.835 5.372 50 30 IKEARN COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1 ZINC000002103179 523589536 /nfs/dbraw/zinc/58/95/36/523589536.db2.gz QHFORRWSJISXHY-WGARJPEWSA-N 0 0 428.484 5.697 50 30 biogenic IKEARN CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000013618189 523607188 /nfs/dbraw/zinc/60/71/88/523607188.db2.gz OYEUKCYVXSYVKV-JOHJSAGNSA-N 0 0 430.371 5.002 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1sccc1C ZINC000012463227 523660859 /nfs/dbraw/zinc/66/08/59/523660859.db2.gz MVOLPQKOUHRUSD-SFTDATJTSA-N 0 0 432.545 5.204 50 30 IKEARN COc1ccc(C(=O)NC(Nc2ccc(F)c(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000012366812 523683700 /nfs/dbraw/zinc/68/37/00/523683700.db2.gz CAWMHNKOJWFJOC-UHFFFAOYSA-N 0 0 444.734 5.151 50 30 IKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009186774 523790998 /nfs/dbraw/zinc/79/09/98/523790998.db2.gz CIGXJOQQVYILDJ-DEOSSOPVSA-N 0 0 443.499 5.012 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002729625 523875604 /nfs/dbraw/zinc/87/56/04/523875604.db2.gz RTCHOQLYFPLBED-ZEHKLFRWSA-N 0 0 442.584 6.629 50 30 IKEARN CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@H]2c2cccc(Cl)c2)s1 ZINC000036612232 523876197 /nfs/dbraw/zinc/87/61/97/523876197.db2.gz MAMDDIANZMUKQA-HNNXBMFYSA-N 0 0 438.862 5.270 50 30 IKEARN CCc1ccc(NC=C2C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 ZINC000020132863 523961476 /nfs/dbraw/zinc/96/14/76/523961476.db2.gz ZMKUEBFCHWOLAN-LFVJCYFKSA-N 0 0 432.545 5.044 50 30 IKEARN CCc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 ZINC000020558822 523962317 /nfs/dbraw/zinc/96/23/17/523962317.db2.gz JXEQXTZSODARQB-LFVJCYFKSA-N 0 0 432.545 5.044 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000019761159 524006564 /nfs/dbraw/zinc/00/65/64/524006564.db2.gz JESQQNXVXJKARR-RGIAPHJHSA-N 0 0 433.523 5.529 50 30 IKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000000710621 524006652 /nfs/dbraw/zinc/00/66/52/524006652.db2.gz DREGCMXRRNUOIK-RBZFPXEDSA-N 0 0 446.385 5.395 50 30 IKEARN CCc1ccc(OCc2nnc(Sc3ncccc3C#N)n2[C@H](C)c2ccccc2)cc1 ZINC000012749591 524007835 /nfs/dbraw/zinc/00/78/35/524007835.db2.gz ZLBDBWDRDPLGIC-GOSISDBHSA-N 0 0 441.560 5.447 50 30 IKEARN CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 ZINC000021722830 524013643 /nfs/dbraw/zinc/01/36/43/524013643.db2.gz IAXIKTUSNGNIFA-VWLOTQADSA-N 0 0 448.544 5.211 50 30 IKEARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000064874157 524034765 /nfs/dbraw/zinc/03/47/65/524034765.db2.gz DTDXSJZCBRQEGY-HSZRJFAPSA-N 0 0 446.938 5.373 50 30 IKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)s1 ZINC000000883356 524040589 /nfs/dbraw/zinc/04/05/89/524040589.db2.gz PZWAYNKZLXUSCB-QLXKLKPCSA-N 0 0 430.573 6.299 50 30 IKEARN CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(Cl)c2)C12CCCCC2 ZINC000013739473 524062132 /nfs/dbraw/zinc/06/21/32/524062132.db2.gz ZCRQKZYLNSBKPG-ROMGYVFFSA-N 0 0 426.029 7.183 50 30 IKEARN CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2/COc3ccccc3C2=O)cs1 ZINC000096924517 524067209 /nfs/dbraw/zinc/06/72/09/524067209.db2.gz CDUGZMACUNZMLE-UYRXBGFRSA-N 0 0 432.545 5.611 50 30 IKEARN CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C/C(=O)c2cc3ccccc3o2)cs1 ZINC000012784935 524067235 /nfs/dbraw/zinc/06/72/35/524067235.db2.gz WUSFJMLRSDORPT-BUHFOSPRSA-N 0 0 444.556 6.595 50 30 IKEARN CNC(=O)CCSc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1C#N ZINC000016399460 524069860 /nfs/dbraw/zinc/06/98/60/524069860.db2.gz PUJZHBSDXUUOEP-UHFFFAOYSA-N 0 0 434.270 5.174 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943217 524071141 /nfs/dbraw/zinc/07/11/41/524071141.db2.gz PPRZQEBAUUYVGG-UHFFFAOYSA-N 0 0 442.538 5.618 50 30 IKEARN CCc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984386 524071520 /nfs/dbraw/zinc/07/15/20/524071520.db2.gz JDJOYNANJLOYEK-UHFFFAOYSA-N 0 0 441.911 5.691 50 30 IKEARN Cc1ccc(C)c(CSC2=N[C@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1 ZINC000012954246 524106871 /nfs/dbraw/zinc/10/68/71/524106871.db2.gz INAACLLPXVNCRV-XMMPIXPASA-N 0 0 428.532 5.984 50 30 IKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850426 524107958 /nfs/dbraw/zinc/10/79/58/524107958.db2.gz VNQDISHFWJTWKJ-HSZRJFAPSA-N 0 0 444.604 5.845 50 30 IKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850429 524108126 /nfs/dbraw/zinc/10/81/26/524108126.db2.gz VNQDISHFWJTWKJ-QHCPKHFHSA-N 0 0 444.604 5.845 50 30 IKEARN Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1 ZINC000021722282 524146466 /nfs/dbraw/zinc/14/64/66/524146466.db2.gz JSJJKZFMYQJYKV-RUZDIDTESA-N 0 0 427.504 6.109 50 30 IKEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)c1 ZINC000033529704 524155528 /nfs/dbraw/zinc/15/55/28/524155528.db2.gz SFLZQGIPXVZJBF-UCQKPKSFSA-N 0 0 425.513 5.337 50 30 IKEARN Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 ZINC000002265290 524155964 /nfs/dbraw/zinc/15/59/64/524155964.db2.gz SKBUAQMUJAYSRN-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(Cl)c2C)c1 ZINC000032943316 524158765 /nfs/dbraw/zinc/15/87/65/524158765.db2.gz YBHWPCLOHGPSJH-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(Cl)cc2C)c1 ZINC000032943112 524160538 /nfs/dbraw/zinc/16/05/38/524160538.db2.gz KZQNCXOPGAQGFQ-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 ZINC000000720681 524187372 /nfs/dbraw/zinc/18/73/72/524187372.db2.gz GTMALCFWCWTLHG-MRDQGFSESA-N 0 0 430.935 6.328 50 30 IKEARN Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1 ZINC000021356340 524190825 /nfs/dbraw/zinc/19/08/25/524190825.db2.gz BVYIGKSZOMPRNC-VWLOTQADSA-N 0 0 448.544 5.266 50 30 IKEARN Cc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(=O)[nH]1 ZINC000328594218 524212288 /nfs/dbraw/zinc/21/22/88/524212288.db2.gz ZMGRJTCZQJJSNY-QGZVFWFLSA-N 0 0 441.528 5.372 50 30 IKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(O)c2)C12CCC(C(C)(C)C)CC2 ZINC000009369234 524244201 /nfs/dbraw/zinc/24/42/01/524244201.db2.gz HGLHBUHWPWIMCS-UHFFFAOYSA-N 0 0 435.637 6.409 50 30 IKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C[C@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21 ZINC000020683607 524300201 /nfs/dbraw/zinc/30/02/01/524300201.db2.gz KHZHNLYHGABBRR-FPVRUKQKSA-N 0 0 446.576 5.050 50 30 IKEARN COc1ccccc1/C=C/C=C1\Oc2c(ccc([O-])c2C[NH+](CC(C)C)CC(C)C)C1=O ZINC000013655116 524317251 /nfs/dbraw/zinc/31/72/51/524317251.db2.gz BCLQDRIPSAGUPP-RVSCEFSYSA-N 0 0 435.564 5.687 50 30 IKEARN COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C ZINC000002294002 524328082 /nfs/dbraw/zinc/32/80/82/524328082.db2.gz CGGREFCLEAARCV-ZOODIOSSSA-N 0 0 437.564 7.403 50 30 IKEARN Cc1cc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1 ZINC000040163703 524335460 /nfs/dbraw/zinc/33/54/60/524335460.db2.gz YYJOHIQCSCXTOM-DOEKTCAHSA-N 0 0 444.538 5.291 50 30 IKEARN COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1ccco1 ZINC000018219501 524345008 /nfs/dbraw/zinc/34/50/08/524345008.db2.gz WAPNHCQFZGTYRX-IVCQMTBJSA-N 0 0 428.488 5.355 50 30 IKEARN Cc1cc(C)cc(-c2cc(/C=C/c3cccc(Cl)c3)c(C#N)c3nc4ccccc4n32)c1 ZINC000012566405 524353110 /nfs/dbraw/zinc/35/31/10/524353110.db2.gz GNZUKEZCCBPZTM-ZHACJKMWSA-N 0 0 433.942 7.467 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)S2)c1 ZINC000035074711 524359809 /nfs/dbraw/zinc/35/98/09/524359809.db2.gz RREZBSKKLMEWGZ-OEAKJJBVSA-N 0 0 432.520 5.913 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c1 ZINC000009259643 524360356 /nfs/dbraw/zinc/36/03/56/524360356.db2.gz QSGOHGPMMNYVBS-MTJSOVHGSA-N 0 0 433.489 5.672 50 30 IKEARN COc1ccccc1C(=O)Oc1ccc(Br)cc1C(=O)/C=C/c1cccs1 ZINC000009379898 524362398 /nfs/dbraw/zinc/36/23/98/524362398.db2.gz HCSKTCACTQXBIU-MDZDMXLPSA-N 0 0 443.318 5.635 50 30 IKEARN COc1ccc(NN=C(C(=O)Nc2cc(Cl)ccc2Cl)C(=O)c2ccccc2)cc1 ZINC000100586155 524380372 /nfs/dbraw/zinc/38/03/72/524380372.db2.gz OVWUWIMLJHZGAT-NHFJDJAPSA-N 0 0 442.302 5.292 50 30 IKEARN COc1ccc(N2C(SC)=N/C(=N\c3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000020805774 524400984 /nfs/dbraw/zinc/40/09/84/524400984.db2.gz IAYVGQRLOVVUCZ-COOPMVRXSA-N 0 0 449.664 7.248 50 30 IKEARN COc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1Cl ZINC000032984178 524401613 /nfs/dbraw/zinc/40/16/13/524401613.db2.gz VOHNPCLGMBEFBH-UHFFFAOYSA-N 0 0 439.920 5.307 50 30 IKEARN C[C@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1 ZINC000008456731 524436106 /nfs/dbraw/zinc/43/61/06/524436106.db2.gz YPWJUYSPRHECOD-LURJTMIESA-N 0 0 438.315 5.151 50 30 IKEARN Cc1cc(C)cc(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1 ZINC000003041550 524436827 /nfs/dbraw/zinc/43/68/27/524436827.db2.gz SRQYKYZOVVUVDJ-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccccc3Cl)S2(=O)=O)cc1 ZINC000020558772 524486568 /nfs/dbraw/zinc/48/65/68/524486568.db2.gz ANHDSTGRRTUDFC-HYARGMPZSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)cc1 ZINC000020575694 524486583 /nfs/dbraw/zinc/48/65/83/524486583.db2.gz YUSCFJWLMMCVHY-BKUYFWCQSA-N 0 0 438.574 5.160 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c1C ZINC000032943455 524530420 /nfs/dbraw/zinc/53/04/20/524530420.db2.gz VPVNDOHUVQGNRL-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(O)cc2)c1 ZINC000013286086 524531458 /nfs/dbraw/zinc/53/14/58/524531458.db2.gz ZRGPRCMJWHCLBQ-QDJRPKQISA-N 0 0 445.569 5.879 50 30 IKEARN Cc1ccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)cc1 ZINC000012954793 524641405 /nfs/dbraw/zinc/64/14/05/524641405.db2.gz CBFZJKOQXPEEBZ-ANYBSYGZSA-N 0 0 425.479 6.807 50 30 IKEARN Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000012125081 524667378 /nfs/dbraw/zinc/66/73/78/524667378.db2.gz DRQXGNCDEPIHFF-NNLCKWJRSA-N 0 0 437.952 5.318 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000018041876 524744858 /nfs/dbraw/zinc/74/48/58/524744858.db2.gz RATJMDPSPXRKRM-XMMPIXPASA-N 0 0 430.548 5.246 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1 ZINC000002453121 524799383 /nfs/dbraw/zinc/79/93/83/524799383.db2.gz ULXRMSDTWKSGHD-PXNMLYILSA-N 0 0 442.846 5.268 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1 ZINC000002451219 524800938 /nfs/dbraw/zinc/80/09/38/524800938.db2.gz WXRZJEQIJYBMNA-PXNMLYILSA-N 0 0 442.846 5.268 50 30 IKEARN COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)c1 ZINC000013001629 524802051 /nfs/dbraw/zinc/80/20/51/524802051.db2.gz DIJKCCCZVIDOIJ-PKNBQFBNSA-N 0 0 436.533 5.358 50 30 IKEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1 ZINC000021534120 524888949 /nfs/dbraw/zinc/88/89/49/524888949.db2.gz HVNODIIXHYJFNC-UHFFFAOYSA-N 0 0 434.971 5.739 50 30 IKEARN Cc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl ZINC000020558888 524914598 /nfs/dbraw/zinc/91/45/98/524914598.db2.gz KRSDRIUFJHUQCL-HYARGMPZSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000020558944 524914995 /nfs/dbraw/zinc/91/49/95/524914995.db2.gz HUIRGLOPJCPRTO-HMAPJEAMSA-N 0 0 438.936 5.135 50 30 IKEARN Cc1cccc2cc(CN=Nc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc12 ZINC000013810987 524968977 /nfs/dbraw/zinc/96/89/77/524968977.db2.gz UICQHTWMDRCNIF-LUOAPIJWSA-N 0 0 429.936 6.314 50 30 IKEARN COc1ccc(OCc2ccccn2)c(/C=C\C(=O)c2cc(Cl)c(OC)cc2OC)c1 ZINC000096134084 524973917 /nfs/dbraw/zinc/97/39/17/524973917.db2.gz ZELSVHVZRCIGDC-CLFYSBASSA-N 0 0 439.895 5.236 50 30 IKEARN C[C@@H](NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000020551331 525117590 /nfs/dbraw/zinc/11/75/90/525117590.db2.gz MXKVYUBQYKKLMX-SCELWYEFSA-N 0 0 437.337 5.456 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(Cl)c1 ZINC000021722295 525149424 /nfs/dbraw/zinc/14/94/24/525149424.db2.gz DDDVKZGTRFBVJF-DEOSSOPVSA-N 0 0 447.922 6.454 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850913 525185539 /nfs/dbraw/zinc/18/55/39/525185539.db2.gz SFTHVDONBHUYLR-QFIPXVFZSA-N 0 0 430.577 5.537 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850910 525186774 /nfs/dbraw/zinc/18/67/74/525186774.db2.gz SFTHVDONBHUYLR-JOCHJYFZSA-N 0 0 430.577 5.537 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013760 525216517 /nfs/dbraw/zinc/21/65/17/525216517.db2.gz WYWCKUXRFSLLDC-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000018106874 525230787 /nfs/dbraw/zinc/23/07/87/525230787.db2.gz WDWAQXJHXSWBCK-UZTOHYMASA-N 0 0 426.516 5.683 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1 ZINC000000812874 525230934 /nfs/dbraw/zinc/23/09/34/525230934.db2.gz NKZJACGFXGJYRH-XRHLQHRESA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC ZINC000013568524 525231419 /nfs/dbraw/zinc/23/14/19/525231419.db2.gz SZVJJKBBXRRTCE-QLXKLKPCSA-N 0 0 430.504 5.585 50 30 IKEARN Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000021722222 525251478 /nfs/dbraw/zinc/25/14/78/525251478.db2.gz DORAZSQIUSYLDV-VWLOTQADSA-N 0 0 441.531 6.437 50 30 IKEARN Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1C ZINC000003041326 525264074 /nfs/dbraw/zinc/26/40/74/525264074.db2.gz COOFCNRDBPOGIN-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1cccc(Cl)c1 ZINC000064874258 525265153 /nfs/dbraw/zinc/26/51/53/525265153.db2.gz MELTVQQZSJJIPE-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(Cl)cc1 ZINC000064775596 525265351 /nfs/dbraw/zinc/26/53/51/525265351.db2.gz OZJPBDOYMACUAG-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012612052 525277351 /nfs/dbraw/zinc/27/73/51/525277351.db2.gz XUCXOTNIKLAVIN-HSZRJFAPSA-N 0 0 431.511 5.529 50 30 IKEARN COc1ccc([C@@]2(N3CCOCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1 ZINC000019720500 525284974 /nfs/dbraw/zinc/28/49/74/525284974.db2.gz CVQOIDCXJPQFCP-LJAQVGFWSA-N 0 0 437.539 5.098 50 30 IKEARN CSC1=N/C(=N\c2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1cccc(O)c1 ZINC000020805789 525342686 /nfs/dbraw/zinc/34/26/86/525342686.db2.gz FBVWSLBUDIOEED-VYIQYICTSA-N 0 0 435.637 6.945 50 30 IKEARN COc1ccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008876343 525395660 /nfs/dbraw/zinc/39/56/60/525395660.db2.gz PWWYPAHTCBJJEM-OAQYLSRUSA-N 0 0 445.559 5.352 50 30 biogenic IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1 ZINC000009488029 525398207 /nfs/dbraw/zinc/39/82/07/525398207.db2.gz ODYMRBPZHOQQTA-IBVKSMDESA-N 0 0 447.534 5.699 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1OC ZINC000028052533 525401050 /nfs/dbraw/zinc/40/10/50/525401050.db2.gz VHXXFYJDKOXMIE-OSPHWJPCSA-N 0 0 430.504 5.267 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000000883404 525430246 /nfs/dbraw/zinc/43/02/46/525430246.db2.gz RVKAPMSAJHNMDA-IVCQMTBJSA-N 0 0 432.545 5.745 50 30 IKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000832973 525430315 /nfs/dbraw/zinc/43/03/15/525430315.db2.gz CERUAOPVNNYCQJ-RUZDIDTESA-N 0 0 428.488 6.066 50 30 IKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000102948800 525438021 /nfs/dbraw/zinc/43/80/21/525438021.db2.gz GVFOMTJSYWRVDJ-DEOSSOPVSA-N 0 0 443.547 5.399 50 30 IKEARN COc1ccc([C@H]2c3sc4c(c3CCN2Cc2ccccc2C#N)CCCC4)cc1OC ZINC000021045883 525442998 /nfs/dbraw/zinc/44/29/98/525442998.db2.gz ZHMYFFHNMLYBPX-SANMLTNESA-N 0 0 444.600 5.663 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000104608064 525533033 /nfs/dbraw/zinc/53/30/33/525533033.db2.gz SZBWKZHLROZHJQ-OOMZPCAGSA-N 0 0 432.560 5.831 50 30 IKEARN CSCC[C@@H]1c2c(C)nn(-c3nc4ccccc4s3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000012555255 525557869 /nfs/dbraw/zinc/55/78/69/525557869.db2.gz YJOQTSVEXFWMEO-CQSZACIVSA-N 0 0 438.622 5.696 50 30 IKEARN Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1C ZINC000021722823 525561637 /nfs/dbraw/zinc/56/16/37/525561637.db2.gz AGQWWMJHABFVAB-RUZDIDTESA-N 0 0 448.544 5.266 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(Cl)c3Cl)cc2)cc1 ZINC000012537691 525596510 /nfs/dbraw/zinc/59/65/10/525596510.db2.gz XGPQJRSUMVBXTJ-NTEUORMPSA-N 0 0 446.355 5.999 50 30 IKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000015980615 525597939 /nfs/dbraw/zinc/59/79/39/525597939.db2.gz UPOMMTKKTGMQLV-GIJQJNRQSA-N 0 0 433.573 5.989 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4C)ccc3C1=O)cn2C ZINC000008993150 525600429 /nfs/dbraw/zinc/60/04/29/525600429.db2.gz DJOPIGKWMZNAFR-RPPGKUMJSA-N 0 0 425.484 5.691 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000253597583 525623956 /nfs/dbraw/zinc/62/39/56/525623956.db2.gz DJKUHJBPRWSFHW-NNRMZFPESA-N 0 0 430.654 6.502 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000257346689 525624079 /nfs/dbraw/zinc/62/40/79/525624079.db2.gz KNJVWAVLNHNHKV-TUJPBSFRSA-N 0 0 430.654 6.502 50 30 IKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 ZINC000015979116 525670762 /nfs/dbraw/zinc/67/07/62/525670762.db2.gz OETBLCBTGSWXLS-ONNFQVAWSA-N 0 0 444.339 7.257 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1C#N ZINC000057281330 525681608 /nfs/dbraw/zinc/68/16/08/525681608.db2.gz JUASFONMHUFKQD-GOSISDBHSA-N 0 0 449.624 5.723 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c1C#N ZINC000057281327 525681718 /nfs/dbraw/zinc/68/17/18/525681718.db2.gz JUASFONMHUFKQD-SFHVURJKSA-N 0 0 449.624 5.723 50 30 IKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(NC(=O)c4ccco4)cc3)o2)c([N+](=O)[O-])c1 ZINC000016319797 525743952 /nfs/dbraw/zinc/74/39/52/525743952.db2.gz LLERUYMPMICCLO-FMIVXFBMSA-N 0 0 442.427 5.905 50 30 IKEARN Cc1c(Cl)cccc1-c1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)o1 ZINC000033348160 525748877 /nfs/dbraw/zinc/74/88/77/525748877.db2.gz VTEIFAQAWSKGIB-YBFXNURJSA-N 0 0 429.328 6.453 50 30 IKEARN Cc1c(Cl)cccc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O ZINC000020575619 525758885 /nfs/dbraw/zinc/75/88/85/525758885.db2.gz LSPXRAHSWSJAFG-UNOMPAQXSA-N 0 0 444.965 5.196 50 30 IKEARN Cc1ccc(-c2csc(N=NCc3ccccc3OCc3ccc(Cl)cc3)n2)cc1 ZINC000009925855 525780884 /nfs/dbraw/zinc/78/08/84/525780884.db2.gz JQRSPWNTQDGELL-VULFUBBASA-N 0 0 433.964 6.797 50 30 IKEARN Cc1ccc(-c2csc(Nc3nc4ccccc4nc3N3CCCCCC3)c2C#N)cc1 ZINC000012617061 525783860 /nfs/dbraw/zinc/78/38/60/525783860.db2.gz VQXKLLXSIRMVMH-UHFFFAOYSA-N 0 0 439.588 6.662 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001437504 525791880 /nfs/dbraw/zinc/79/18/80/525791880.db2.gz FZWFXQJDLNGVJB-DCFHFQCYSA-N 0 0 439.515 6.191 50 30 IKEARN Cc1ccc([C@@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020849699 525867234 /nfs/dbraw/zinc/86/72/34/525867234.db2.gz WPTSZLWFLAHUPM-FQEVSTJZSA-N 0 0 428.492 5.494 50 30 IKEARN Cc1c(O)ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1O ZINC000013756959 525879640 /nfs/dbraw/zinc/87/96/40/525879640.db2.gz HDXVTLHCBGSZKL-OPEKNORGSA-N 0 0 439.302 5.769 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O ZINC000253499189 525913958 /nfs/dbraw/zinc/91/39/58/525913958.db2.gz HESAJDXBMHQLJH-DMYSZGNESA-N 0 0 445.434 7.293 50 30 biogenic IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000253498556 525914506 /nfs/dbraw/zinc/91/45/06/525914506.db2.gz LJQHVTRFOZQNII-LMBKNKKASA-N 0 0 444.537 6.592 50 30 IKEARN CSc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 ZINC000015979808 525948563 /nfs/dbraw/zinc/94/85/63/525948563.db2.gz UEYFSSIOZXZPIA-MUPYBJATSA-N 0 0 442.649 7.744 50 30 IKEARN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008915870 525961887 /nfs/dbraw/zinc/96/18/87/525961887.db2.gz WYFIMJBZABAQJN-WAMJVRJTSA-N 0 0 437.568 6.323 50 30 IKEARN Cc1ccc(C=NN=C2c3ccccc3C(=O)C2C(=O)C(c2ccccc2)c2ccccc2)o1 ZINC000100143395 525964049 /nfs/dbraw/zinc/96/40/49/525964049.db2.gz NIUOLHPWJOKCPA-KNQZIMACSA-N 0 0 446.506 6.252 50 30 IKEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1 ZINC000009720958 525967509 /nfs/dbraw/zinc/96/75/09/525967509.db2.gz ONUXWNYRPAJSQS-OYKKKHCWSA-N 0 0 441.531 6.029 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000101125907 525970488 /nfs/dbraw/zinc/97/04/88/525970488.db2.gz LVRAFANJAQSBKR-LBMUFILHSA-N 0 0 429.501 6.020 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1Cl ZINC000016267632 525971570 /nfs/dbraw/zinc/97/15/70/525971570.db2.gz MYYLKXGYMBOLAX-ODLFYWEKSA-N 0 0 439.880 5.708 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000002084226 525972211 /nfs/dbraw/zinc/97/22/11/525972211.db2.gz MMQCPIFJAXNHKY-PNTLFUMMSA-N 0 0 428.557 6.434 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000004576312 525982789 /nfs/dbraw/zinc/98/27/89/525982789.db2.gz YEWBUPCTTJGMFX-HJPURHCSSA-N 0 0 425.550 5.210 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)o1 ZINC000000821077 525983092 /nfs/dbraw/zinc/98/30/92/525983092.db2.gz BMNWLYWOLFZPFA-DCFHFQCYSA-N 0 0 445.559 5.826 50 30 IKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)NC2CCCC2)cc1 ZINC000021722111 525985331 /nfs/dbraw/zinc/98/53/31/525985331.db2.gz RSGYACKTUAFCNT-SANMLTNESA-N 0 0 443.591 6.264 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc1 ZINC000020850302 525986624 /nfs/dbraw/zinc/98/66/24/525986624.db2.gz NUKWBMSLRRIYTB-QFIPXVFZSA-N 0 0 448.567 5.676 50 30 IKEARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1 ZINC000021683166 526007395 /nfs/dbraw/zinc/00/73/95/526007395.db2.gz OAIWNGQUWHMHFK-OAHLLOKOSA-N 0 0 426.592 5.091 50 30 IKEARN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sccc1C#N ZINC000012907278 526008240 /nfs/dbraw/zinc/00/82/40/526008240.db2.gz NXAJFVFVBFJKQZ-OAHLLOKOSA-N 0 0 443.557 5.258 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000008996552 526024626 /nfs/dbraw/zinc/02/46/26/526024626.db2.gz GQNKIKRBGGKUKO-QFIPXVFZSA-N 0 0 430.504 5.059 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000006406693 526025006 /nfs/dbraw/zinc/02/50/06/526025006.db2.gz XLTUYEOKLDGWRD-OXJNMPFZSA-N 0 0 446.330 5.059 50 30 IKEARN Cc1ccc([C@H]2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1 ZINC000012954673 526042307 /nfs/dbraw/zinc/04/23/07/526042307.db2.gz XZEGGEUKVUWRCR-JOCHJYFZSA-N 0 0 430.960 6.190 50 30 IKEARN Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccccc1 ZINC000012559561 526081583 /nfs/dbraw/zinc/08/15/83/526081583.db2.gz QXLIVKPDAHNTSA-MOHJPFBDSA-N 0 0 434.564 7.127 50 30 IKEARN CSc1cccc(NC(=O)CSc2nc(C)c(/N=N/c3ccccc3)c(C)c2C#N)c1 ZINC000012369922 526114938 /nfs/dbraw/zinc/11/49/38/526114938.db2.gz OXNFNJVJJUJGIZ-BYYHNAKLSA-N 0 0 447.589 6.438 50 30 IKEARN Cc1ccc2c(c1)C(N=Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@H](c1ccccc1)O2 ZINC000031939355 526137682 /nfs/dbraw/zinc/13/76/82/526137682.db2.gz BQQIHSWUTSRNBS-DHHFVULLSA-N 0 0 445.975 7.112 50 30 IKEARN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012652108 526144405 /nfs/dbraw/zinc/14/44/05/526144405.db2.gz IMIYEASXSPIHHA-AREMUKBSSA-N 0 0 442.946 6.469 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 ZINC000036611378 526226559 /nfs/dbraw/zinc/22/65/59/526226559.db2.gz QPMOZBKJMZHMJW-SSDVNMTOSA-N 0 0 428.901 5.276 50 30 IKEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000036611429 526227017 /nfs/dbraw/zinc/22/70/17/526227017.db2.gz UHSIPOQOJKSDIE-QPSGOUHRSA-N 0 0 433.267 5.299 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000036611359 526227364 /nfs/dbraw/zinc/22/73/64/526227364.db2.gz DRIVNZNFPPZHPG-LSHDLFTRSA-N 0 0 449.319 5.621 50 30 IKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)CCC2 ZINC000004125670 526234473 /nfs/dbraw/zinc/23/44/73/526234473.db2.gz XJGKXBLESHAYIE-FQEVSTJZSA-N 0 0 439.606 5.088 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000021946988 526239355 /nfs/dbraw/zinc/23/93/55/526239355.db2.gz AYHFYRCMZUUNLD-CMTIAEDTSA-N 0 0 433.486 5.544 50 30 IKEARN Cc1ccc2nc(-c3cc(/N=C\c4cc(Br)ccc4O)ccc3Cl)oc2c1 ZINC000012462629 526239674 /nfs/dbraw/zinc/23/96/74/526239674.db2.gz XNAJEYYOLNWTDP-MYKKPKGFSA-N 0 0 441.712 6.675 50 30 IKEARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000036026141 526241238 /nfs/dbraw/zinc/24/12/38/526241238.db2.gz AYHFYRCMZUUNLD-WEWMWRJBSA-N 0 0 433.486 5.544 50 30 IKEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 ZINC000020646954 526251274 /nfs/dbraw/zinc/25/12/74/526251274.db2.gz WUEDDSYVZIQZJQ-VPBNWZFVSA-N 0 0 425.528 6.050 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000009184949 526270959 /nfs/dbraw/zinc/27/09/59/526270959.db2.gz FVKHOZHJJZLNMD-HXUWFJFHSA-N 0 0 434.289 5.232 50 30 IKEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2 ZINC000018197134 526295673 /nfs/dbraw/zinc/29/56/73/526295673.db2.gz ZETNUWLLGHAJBB-QHCPKHFHSA-N 0 0 439.342 6.078 50 30 IKEARN S=c1[n-]nc(-c2ccccc2Br)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000013583145 526386890 /nfs/dbraw/zinc/38/68/90/526386890.db2.gz MXVRVSJUBMZXDA-OEAKJJBVSA-N 0 0 435.350 5.919 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Br)c1 ZINC000002327041 526389493 /nfs/dbraw/zinc/38/94/93/526389493.db2.gz VTNNTZKPGDKDRD-UFWORHAWSA-N 0 0 428.142 5.185 50 30 IKEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000020617905 526389814 /nfs/dbraw/zinc/38/98/14/526389814.db2.gz CWHCOFTZMDOUMZ-ZVBGSRNCSA-N 0 0 435.292 5.188 50 30 IKEARN O=C(O/N=C1/c2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 ZINC000012959556 526414051 /nfs/dbraw/zinc/41/40/51/526414051.db2.gz WZCQWJGPPYAHDH-QQTULTPQSA-N 0 0 425.271 5.101 50 30 IKEARN N#CC1(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21 ZINC000012524510 526430845 /nfs/dbraw/zinc/43/08/45/526430845.db2.gz VUAKNUODZRBLQK-YTFSRNRJSA-N 0 0 441.943 5.686 50 30 IKEARN O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012261623 526432313 /nfs/dbraw/zinc/43/23/13/526432313.db2.gz NMXGNMKXWUAPGX-MRXNPFEDSA-N 0 0 449.322 5.040 50 30 IKEARN O=C(Oc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000008854183 526438422 /nfs/dbraw/zinc/43/84/22/526438422.db2.gz AZNOABHQADOCLH-DEDYPNTBSA-N 0 0 438.266 5.557 50 30 IKEARN O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 ZINC000009056632 526438884 /nfs/dbraw/zinc/43/88/84/526438884.db2.gz LMYUSXAYMQYZDE-LPYMAVHISA-N 0 0 440.253 5.023 50 30 IKEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000002597712 526439134 /nfs/dbraw/zinc/43/91/34/526439134.db2.gz BWOZGKJWHSAGAP-ZMOGYAJESA-N 0 0 427.888 5.019 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)N(c1ccccc1)c1ccccc1 ZINC000009282703 526443613 /nfs/dbraw/zinc/44/36/13/526443613.db2.gz RCRYHULEPCAXRH-UQQQWYQISA-N 0 0 434.451 6.035 50 30 IKEARN N#CCCn1cc(C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 ZINC000057373593 526466901 /nfs/dbraw/zinc/46/69/01/526466901.db2.gz DZJQAODQUJZJTC-GOSISDBHSA-N 0 0 428.561 5.227 50 30 IKEARN N#CCOc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000015226275 526472773 /nfs/dbraw/zinc/47/27/73/526472773.db2.gz JXKSAHBKOVSBDM-OGLMXYFKSA-N 0 0 429.545 5.210 50 30 IKEARN N#CCOc1cccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1 ZINC000065501767 526475381 /nfs/dbraw/zinc/47/53/81/526475381.db2.gz WAAXOQKMXLZIDV-XNTDXEJSSA-N 0 0 425.922 5.352 50 30 IKEARN N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088059 526479965 /nfs/dbraw/zinc/47/99/65/526479965.db2.gz RXZQXJNBDKIATL-UHFFFAOYSA-N 0 0 444.265 6.360 50 30 IKEARN N#Cc1c(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cn2ccccc12 ZINC000014728656 526518149 /nfs/dbraw/zinc/51/81/49/526518149.db2.gz KBHILAZQLPHJAS-UHFFFAOYSA-N 0 0 425.492 5.490 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(-c2ccc(Cl)cc2)cc1/C=C/c1cccc(Cl)c1 ZINC000012566410 526533362 /nfs/dbraw/zinc/53/33/62/526533362.db2.gz FSWMXHBUCZOOAA-CMDGGOBGSA-N 0 0 440.333 7.503 50 30 IKEARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)/C=C/C=C/c1ccc(N(C)C)cc1 ZINC000043798958 526564989 /nfs/dbraw/zinc/56/49/89/526564989.db2.gz FOGDMDKUICLTOJ-YDFGWWAZSA-N 0 0 442.506 6.656 50 30 IKEARN N#Cc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C3CC3)no2)cc1 ZINC000035453836 526582906 /nfs/dbraw/zinc/58/29/06/526582906.db2.gz LWYMPALLEMYFKX-UHFFFAOYSA-N 0 0 436.496 5.549 50 30 IKEARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCS/C1=N\Cc1ccccc1 ZINC000012529023 526596123 /nfs/dbraw/zinc/59/61/23/526596123.db2.gz JXMSAJLELJCKCQ-IZHYLOQSSA-N 0 0 429.570 5.709 50 30 IKEARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000020607090 526611993 /nfs/dbraw/zinc/61/19/93/526611993.db2.gz GVLSWSACVYVIHL-OAHLLOKOSA-N 0 0 436.606 5.850 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(Cl)c4)CC3)s2)cc1 ZINC000024828890 526632771 /nfs/dbraw/zinc/63/27/71/526632771.db2.gz CQUUELPIYDTSEW-UHFFFAOYSA-N 0 0 426.954 5.026 50 30 IKEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1Cl ZINC000009665720 526652670 /nfs/dbraw/zinc/65/26/70/526652670.db2.gz YPUIHMBVIPWPLV-UHFFFAOYSA-N 0 0 445.935 5.190 50 30 IKEARN O=C(Nc1csnc1-c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000328596637 526692080 /nfs/dbraw/zinc/69/20/80/526692080.db2.gz KGIOMXASEFSRJL-UHFFFAOYSA-N 0 0 427.476 5.229 50 30 IKEARN O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652157 526776278 /nfs/dbraw/zinc/77/62/78/526776278.db2.gz FZEASFVXNGYIKW-DEOSSOPVSA-N 0 0 447.922 5.823 50 30 IKEARN O=C(c1cccc2ccccc21)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1 ZINC000012652174 526785876 /nfs/dbraw/zinc/78/58/76/526785876.db2.gz GRHIJDUPTQCUDF-GDLZYMKVSA-N 0 0 444.534 6.661 50 30 IKEARN N=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000012369702 526805500 /nfs/dbraw/zinc/80/55/00/526805500.db2.gz CNQUYUITIVYHLE-UHFFFAOYSA-N 0 0 435.789 5.023 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(F)c1 ZINC000020503322 526827160 /nfs/dbraw/zinc/82/71/60/526827160.db2.gz YQQHZCIANJHEGK-VWLOTQADSA-N 0 0 431.467 5.038 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1cccc(F)c1 ZINC000021722750 526827369 /nfs/dbraw/zinc/82/73/69/526827369.db2.gz VPGWWVZGGHPBTM-RUZDIDTESA-N 0 0 447.535 5.506 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1F ZINC000020503317 526827443 /nfs/dbraw/zinc/82/74/43/526827443.db2.gz NTHACJRDXJMIET-VWLOTQADSA-N 0 0 431.467 5.038 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC1CCCCC1 ZINC000021721998 526827595 /nfs/dbraw/zinc/82/75/95/526827595.db2.gz UNHZBGQFDSEKHE-RUZDIDTESA-N 0 0 435.593 5.177 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccccc1 ZINC000021722026 526827846 /nfs/dbraw/zinc/82/78/46/526827846.db2.gz BJDHASRHBIEXCH-RUZDIDTESA-N 0 0 429.545 5.367 50 30 IKEARN Cc1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C#N)c1-c1ccc(F)cc1 ZINC000017096218 526879284 /nfs/dbraw/zinc/87/92/84/526879284.db2.gz MZSJLYHGFWMKJX-UHFFFAOYSA-N 0 0 428.916 6.184 50 30 IKEARN Clc1ccc(C=NN=c2nc3[nH]onc-3nc2Nc2ccccc2Cl)c(Cl)c1 ZINC000012375655 526940861 /nfs/dbraw/zinc/94/08/61/526940861.db2.gz YKVQKBLXZWFFQB-ODCIPOBUSA-N 0 0 434.674 5.163 50 30 IKEARN O=C1/C(=C\c2ccc(O)cc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000009323995 526946425 /nfs/dbraw/zinc/94/64/25/526946425.db2.gz WUBWAPCCYPOPQB-DOGKOTLKSA-N 0 0 439.540 5.720 50 30 IKEARN O=C1/C(=N/c2ccc3ccccc3c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 ZINC000020064288 526948439 /nfs/dbraw/zinc/94/84/39/526948439.db2.gz HCPLFFKKJFDTIF-SJCQXOIGSA-N 0 0 446.554 5.087 50 30 IKEARN Clc1ccc(CO/N=C2/CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)cc1 ZINC000012960554 526949586 /nfs/dbraw/zinc/94/95/86/526949586.db2.gz ZBIUZBBZNFPLQB-GNVQSUKOSA-N 0 0 426.947 7.055 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4Cl)nn3[C@@H](c3cccs3)C12 ZINC000020134193 526969352 /nfs/dbraw/zinc/96/93/52/526969352.db2.gz LRGBAIZHJAXDMZ-SFHVURJKSA-N 0 0 446.960 5.446 50 30 IKEARN Clc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3Cl)cc2)cc1 ZINC000001882084 526988034 /nfs/dbraw/zinc/98/80/34/526988034.db2.gz DNPWJNYWWYZJCF-GFTXTJKWSA-N 0 0 443.377 8.085 50 30 IKEARN Cc1nc(NC(=O)c2ccccc2-c2ccccc2C#N)sc1-c1nccn1C(F)F ZINC000012579863 526994416 /nfs/dbraw/zinc/99/44/16/526994416.db2.gz SRDMVRHLNNOCSZ-UHFFFAOYSA-N 0 0 435.459 5.501 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC(Sc2ccccc2)=C1CS(=O)(=O)c1ccccc1 ZINC000003048688 527022414 /nfs/dbraw/zinc/02/24/14/527022414.db2.gz LATLKJNZKMSGOO-HXUWFJFHSA-N 0 0 434.582 5.653 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 ZINC000001080231 527023358 /nfs/dbraw/zinc/02/33/58/527023358.db2.gz LPASXEOEVJVMQJ-PPHZAIPVSA-N 0 0 446.506 5.922 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Br)c1)Nc1ccccc1N2 ZINC000000672596 527024791 /nfs/dbraw/zinc/02/47/91/527024791.db2.gz JKOMNYJZWAZQKC-AVRWGWEMSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Br)c1)Nc1ccccc1N2 ZINC000000672597 527032822 /nfs/dbraw/zinc/03/28/22/527032822.db2.gz JKOMNYJZWAZQKC-IQGLISFBSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000009329706 527033089 /nfs/dbraw/zinc/03/30/89/527033089.db2.gz CKVDPHQYKOMKDF-SZNDQCEHSA-N 0 0 449.436 5.194 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000033349561 527042314 /nfs/dbraw/zinc/04/23/14/527042314.db2.gz LWDUSPVLVHAFCZ-GZTJUZNOSA-N 0 0 436.493 5.338 50 30 IKEARN O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1ccccc1OC1CCCC1 ZINC000008398375 527043004 /nfs/dbraw/zinc/04/30/04/527043004.db2.gz WGTKSOJNPQSDIT-UYRXBGFRSA-N 0 0 432.467 5.918 50 30 IKEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Br)s1 ZINC000015016307 527043610 /nfs/dbraw/zinc/04/36/10/527043610.db2.gz HZQUTHQUCZTWHX-XFFZJAGNSA-N 0 0 433.274 5.421 50 30 IKEARN O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1cccc2ccccc21 ZINC000002245990 527099810 /nfs/dbraw/zinc/09/98/10/527099810.db2.gz KQZPTMMEYMZIIN-HSZRJFAPSA-N 0 0 445.316 6.679 50 30 IKEARN O=C1[C@H](c2ccccc2)S/C(=N/N=C/c2ccco2)N1c1cccc(C(F)(F)F)c1 ZINC000015931764 527116631 /nfs/dbraw/zinc/11/66/31/527116631.db2.gz XRBJQNHZTSZWOT-ZUGVYDNOSA-N 0 0 429.423 5.510 50 30 IKEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNc1ccccc1Br ZINC000100833218 527121013 /nfs/dbraw/zinc/12/10/13/527121013.db2.gz ISONCOVTRLKJHC-KPKJPENVSA-N 0 0 428.511 5.427 50 30 IKEARN O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccc(Br)cc1 ZINC000013655312 527122543 /nfs/dbraw/zinc/12/25/43/527122543.db2.gz OCBVDSLODJQWGD-MOURARDWSA-N 0 0 433.301 6.158 50 30 IKEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccc(Cl)cc1Cl)CC(=O)O3 ZINC000218078855 527124277 /nfs/dbraw/zinc/12/42/77/527124277.db2.gz BXNOBDTXRLWMJR-ASTMVQESSA-N 0 0 438.266 5.446 50 30 biogenic IKEARN O=C1c2ccc([N+](=O)[O-])cc2N[C@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 ZINC000002192414 527124824 /nfs/dbraw/zinc/12/48/24/527124824.db2.gz ULGSDNISNXSKFH-VWXZLZIGSA-N 0 0 441.274 5.502 50 30 IKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1 ZINC000012600888 527132788 /nfs/dbraw/zinc/13/27/88/527132788.db2.gz LJWULEZOSMQOMP-NTEUORMPSA-N 0 0 446.319 7.008 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000104155746 527132876 /nfs/dbraw/zinc/13/28/76/527132876.db2.gz JZRVPEZFYKMXSK-UUOWRZLLSA-N 0 0 437.926 6.876 50 30 IKEARN O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1ccccc1F ZINC000020575731 527138083 /nfs/dbraw/zinc/13/80/83/527138083.db2.gz QALWZCUVRFWZPP-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1cccc(F)c1 ZINC000020575732 527138637 /nfs/dbraw/zinc/13/86/37/527138637.db2.gz BGNAUJZHPGAUOR-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2ncccc2c1 ZINC000006177579 527140439 /nfs/dbraw/zinc/14/04/39/527140439.db2.gz QNDXIMOAPNZAPA-GXDHUFHOSA-N 0 0 434.926 7.308 50 30 IKEARN Cn1cc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21 ZINC000028182509 527145230 /nfs/dbraw/zinc/14/52/30/527145230.db2.gz LCLAOJOKGFXBDV-MYKKPKGFSA-N 0 0 433.866 6.166 50 30 IKEARN Cn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 ZINC000008990765 527145385 /nfs/dbraw/zinc/14/53/85/527145385.db2.gz PDIMBRULMIXPCZ-YSURURNPSA-N 0 0 433.866 6.166 50 30 IKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000012877205 527240403 /nfs/dbraw/zinc/24/04/03/527240403.db2.gz CNASYUVHRPIVJI-UHFFFAOYSA-N 0 0 433.283 5.181 50 30 IKEARN O=[N+]([O-])c1cc(-c2ccc(/C=N/c3nc4ccccn4c3-c3ccco3)o2)ccc1Cl ZINC000013108242 527324813 /nfs/dbraw/zinc/32/48/13/527324813.db2.gz AYBYEPHXICIWIQ-ZMOGYAJESA-N 0 0 432.823 6.167 50 30 IKEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012785444 527326372 /nfs/dbraw/zinc/32/63/72/527326372.db2.gz VMFYJWNUCJQFPV-UHFFFAOYSA-N 0 0 449.407 5.682 50 30 IKEARN O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012960306 527343700 /nfs/dbraw/zinc/34/37/00/527343700.db2.gz NKAJMJNCVXJYNQ-NOBPMBFOSA-N 0 0 436.895 5.852 50 30 IKEARN O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1 ZINC000033921177 527381799 /nfs/dbraw/zinc/38/17/99/527381799.db2.gz DEXHNMVTDNITDK-FFFWXYFFSA-N 0 0 447.266 5.876 50 30 IKEARN O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000328591745 527402325 /nfs/dbraw/zinc/40/23/25/527402325.db2.gz DNLFLPZEPUJELO-SIKLNZKXSA-N 0 0 445.466 5.046 50 30 IKEARN O=[N+]([O-])c1ccccc1OC/C(=N/OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000012959341 527404527 /nfs/dbraw/zinc/40/45/27/527404527.db2.gz FKJCKTPLZULWMM-CLCOLTQESA-N 0 0 431.275 5.902 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000012347986 527455676 /nfs/dbraw/zinc/45/56/76/527455676.db2.gz BLVYYHHPVIVNLD-DEOSSOPVSA-N 0 0 433.511 5.397 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccccc1 ZINC000018197474 527455747 /nfs/dbraw/zinc/45/57/47/527455747.db2.gz HACHTJIALLNKIG-JTSKRJEESA-N 0 0 439.540 5.185 50 30 IKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1C1CCCCC1)CCC3 ZINC000013739548 527459171 /nfs/dbraw/zinc/45/91/71/527459171.db2.gz LENOKWAEAAILME-ZMOGYAJESA-N 0 0 426.973 5.551 50 30 IKEARN O=C1NC(=Nc2cc(F)c(F)c(F)c2)C(=Cc2cccc(Oc3ncccn3)c2)S1 ZINC000072401092 527514812 /nfs/dbraw/zinc/51/48/12/527514812.db2.gz HAQJNSZVJYAWHE-PXNMLYILSA-N 0 0 428.395 5.418 50 30 IKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018196670 527523260 /nfs/dbraw/zinc/52/32/60/527523260.db2.gz LCNYUJAGWVECER-HSZRJFAPSA-N 0 0 431.967 6.343 50 30 IKEARN O=C(Nc1sc2c(c1C=NNc1ccc3ccccc3c1)CCCC2)c1ccccc1 ZINC000008399951 527539617 /nfs/dbraw/zinc/53/96/17/527539617.db2.gz LCAYHXHPNCUWRB-WPWMEQJKSA-N 0 0 425.557 6.478 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000021658686 527553434 /nfs/dbraw/zinc/55/34/34/527553434.db2.gz IEMLITWKPKFISU-OAQYLSRUSA-N 0 0 434.337 5.508 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013569344 527553703 /nfs/dbraw/zinc/55/37/03/527553703.db2.gz NJBKABMZUCSEPZ-IBVKSMDESA-N 0 0 448.526 5.240 50 30 IKEARN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000016400614 527596524 /nfs/dbraw/zinc/59/65/24/527596524.db2.gz SAPBNQKUSMETLU-AATRIKPKSA-N 0 0 438.165 6.295 50 30 IKEARN O=C(C=CNc1nc(-c2ccc(OC(F)F)cc2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000020608497 527598550 /nfs/dbraw/zinc/59/85/50/527598550.db2.gz ONFNDVCFTDPORB-AATRIKPKSA-N 0 0 430.520 6.123 50 30 IKEARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000036636064 527605011 /nfs/dbraw/zinc/60/50/11/527605011.db2.gz VEBUKCVSTGFGCS-JLHYYAGUSA-N 0 0 436.423 6.559 50 30 IKEARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000334162613 527616838 /nfs/dbraw/zinc/61/68/38/527616838.db2.gz COQSTYJJLXBXGJ-VXLYETTFSA-N 0 0 430.975 7.863 50 30 IKEARN O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000021629922 527626145 /nfs/dbraw/zinc/62/61/45/527626145.db2.gz OCBAMWUIDNQYKH-BUHFOSPRSA-N 0 0 444.918 5.615 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1ccc(C(C)C)cc1 ZINC000032972633 527628858 /nfs/dbraw/zinc/62/88/58/527628858.db2.gz VCLAUTLGADWFIE-UHFFFAOYSA-N 0 0 437.975 5.212 50 30 IKEARN O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21 ZINC000001149637 527630480 /nfs/dbraw/zinc/63/04/80/527630480.db2.gz FQTBATMWPPXGOH-QVNLTAIFSA-N 0 0 433.507 5.247 50 30 IKEARN O=C(/C=C/c1ccccc1)c1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000051330221 527634329 /nfs/dbraw/zinc/63/43/29/527634329.db2.gz GOYDATJWHOBNAF-LTGZKZEYSA-N 0 0 425.531 7.707 50 30 IKEARN O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)c1ccccc1Br ZINC000009216925 527641825 /nfs/dbraw/zinc/64/18/25/527641825.db2.gz NUZCXSNXWIIMJK-CMDGGOBGSA-N 0 0 431.282 5.765 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Br)cc1 ZINC000013301908 527645935 /nfs/dbraw/zinc/64/59/35/527645935.db2.gz PHAVBHNQANEVDS-JLHYYAGUSA-N 0 0 435.346 6.259 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000012563831 527646507 /nfs/dbraw/zinc/64/65/07/527646507.db2.gz YLRDWQFHZSNJRS-ISLYRVAYSA-N 0 0 432.548 7.164 50 30 IKEARN O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1 ZINC000096794646 527653903 /nfs/dbraw/zinc/65/39/03/527653903.db2.gz YGQOEVZOLKDXFJ-YVMONPNESA-N 0 0 428.315 5.986 50 30 IKEARN O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000097993042 527656099 /nfs/dbraw/zinc/65/60/99/527656099.db2.gz UPEHYTOWTMODBR-OQYWKCLKSA-N 0 0 432.234 6.729 50 30 IKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1 ZINC000022239194 527659953 /nfs/dbraw/zinc/65/99/53/527659953.db2.gz AHIQZHNJTIRWLG-PFONDFGASA-N 0 0 429.317 6.198 50 30 IKEARN O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000012960340 527671093 /nfs/dbraw/zinc/67/10/93/527671093.db2.gz XDPRGOJTXJCCBP-MXAYSNPKSA-N 0 0 429.303 6.317 50 30 IKEARN FC(F)(F)c1cccc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)c1 ZINC000012957129 527686457 /nfs/dbraw/zinc/68/64/57/527686457.db2.gz SGFPPAUJSVTUQR-LUOAPIJWSA-N 0 0 441.236 6.750 50 30 IKEARN FC(F)(F)c1cnc(C(N=Nc2ccc(Cl)nn2)c2ccc(Cl)cc2)c(Cl)c1 ZINC000012957213 527688448 /nfs/dbraw/zinc/68/84/48/527688448.db2.gz FPCPWWYEHXWIIH-RWPZCVJISA-N 0 0 446.647 5.715 50 30 IKEARN FC(F)=C(F)OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095676684 527691612 /nfs/dbraw/zinc/69/16/12/527691612.db2.gz RJBJXVAPYONTFE-SCSAIBSYSA-N 0 0 432.054 5.666 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000000626641 555512890 /nfs/dbraw/zinc/51/28/90/555512890.db2.gz CIBONHSIKNWTJP-HXUWFJFHSA-N 0 0 434.363 5.837 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2Cl)o1 ZINC000000629431 555514092 /nfs/dbraw/zinc/51/40/92/555514092.db2.gz OPWOXWDHDBXTSO-UHFFFAOYSA-N 0 0 449.978 6.573 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 ZINC000000630726 555514633 /nfs/dbraw/zinc/51/46/33/555514633.db2.gz HEGVWABNIAPBMT-QYBDOPJKSA-N 0 0 430.935 6.328 50 30 IKEARN O=C1CCCC2=C1C(c1ccc(-c3ccc(Br)cc3)o1)C1=C(CCCC1=O)N2 ZINC000000636894 555516975 /nfs/dbraw/zinc/51/69/75/555516975.db2.gz DDCVWIWOPKYPHM-UHFFFAOYSA-N 0 0 438.321 5.410 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C ZINC000000650589 555522709 /nfs/dbraw/zinc/52/27/09/555522709.db2.gz RDMVENMIXQUDIF-RUZDIDTESA-N 0 0 446.547 5.089 50 30 IKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000000665477 555528298 /nfs/dbraw/zinc/52/82/98/555528298.db2.gz CCTSKGHGVJQBGG-UHFFFAOYSA-N 0 0 437.264 5.630 50 30 IKEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000666737 555528958 /nfs/dbraw/zinc/52/89/58/555528958.db2.gz TZHQCUTUDAQUHL-RLWLMLJZSA-N 0 0 445.559 5.256 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000669403 555530207 /nfs/dbraw/zinc/53/02/07/555530207.db2.gz YKXVKWNYSYPDTF-QHCPKHFHSA-N 0 0 443.374 6.546 50 30 IKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000000672259 555531821 /nfs/dbraw/zinc/53/18/21/555531821.db2.gz KUVCTWBIVUECOM-HMILPKGGSA-N 0 0 440.543 6.073 50 30 IKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000000672251 555531847 /nfs/dbraw/zinc/53/18/47/555531847.db2.gz KUVCTWBIVUECOM-GDJIYFAZSA-N 0 0 440.543 6.073 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc4c(c2)OCO4)C3)s1 ZINC000000678590 555536089 /nfs/dbraw/zinc/53/60/89/555536089.db2.gz HTMLOCJJKALHQD-LMKMVOKYSA-N 0 0 430.529 5.765 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc32)cc1 ZINC000000681730 555537472 /nfs/dbraw/zinc/53/74/72/555537472.db2.gz SGENHWCBNUIGCF-KWMCUTETSA-N 0 0 435.527 6.156 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1 ZINC000000681736 555537680 /nfs/dbraw/zinc/53/76/80/555537680.db2.gz MNMDEHXZKFJNTK-NSYGIPOTSA-N 0 0 443.459 5.108 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000000688448 555541327 /nfs/dbraw/zinc/54/13/27/555541327.db2.gz MWLRZUAGMWOGSB-NRFANRHFSA-N 0 0 442.346 5.303 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1OC ZINC000000709635 555546432 /nfs/dbraw/zinc/54/64/32/555546432.db2.gz SQPJLGCMLIETMA-MRDQGFSESA-N 0 0 446.572 6.053 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2 ZINC000000709501 555546450 /nfs/dbraw/zinc/54/64/50/555546450.db2.gz KMNOZBRXYDIKND-CJAUYULYSA-N 0 0 434.461 6.685 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2 ZINC000000709467 555546511 /nfs/dbraw/zinc/54/65/11/555546511.db2.gz HBJPZHCWYVMFSK-PUAOIOHZSA-N 0 0 445.906 6.228 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000000709478 555546557 /nfs/dbraw/zinc/54/65/57/555546557.db2.gz UEXIRONLZCSIGY-DEOSSOPVSA-N 0 0 430.504 5.267 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Br)Nc1ccccc1N2 ZINC000000709508 555546562 /nfs/dbraw/zinc/54/65/62/555546562.db2.gz ASSBIDWZDQGTAA-GKVSMKOHSA-N 0 0 445.360 6.429 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1OC ZINC000000709643 555546832 /nfs/dbraw/zinc/54/68/32/555546832.db2.gz MTEXHNHGKQLPMQ-CLYVBNDRSA-N 0 0 442.515 5.389 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2 ZINC000000709775 555546865 /nfs/dbraw/zinc/54/68/65/555546865.db2.gz KKFOCULDYZFJPV-XRHLQHRESA-N 0 0 434.495 5.773 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC ZINC000000709672 555546885 /nfs/dbraw/zinc/54/68/85/555546885.db2.gz BMGCNEXJQXCUPY-QYBDOPJKSA-N 0 0 427.504 5.078 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000710782 555547079 /nfs/dbraw/zinc/54/70/79/555547079.db2.gz WUMXPTFQJQQTPD-NPMXOYFQSA-N 0 0 440.490 6.746 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000000717698 555549175 /nfs/dbraw/zinc/54/91/75/555549175.db2.gz UZUXXFJQRCTHNQ-HJPURHCSSA-N 0 0 437.561 5.070 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000000717697 555549231 /nfs/dbraw/zinc/54/92/31/555549231.db2.gz UZUXXFJQRCTHNQ-QMHKHESXSA-N 0 0 437.561 5.070 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000000717695 555549241 /nfs/dbraw/zinc/54/92/41/555549241.db2.gz UZUXXFJQRCTHNQ-WAIKUNEKSA-N 0 0 437.561 5.070 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1O ZINC000000718067 555549355 /nfs/dbraw/zinc/54/93/55/555549355.db2.gz LEWZYXRJQLNBGU-DXPJPUQTSA-N 0 0 446.934 6.034 50 30 biogenic,in-vitro IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000000720129 555549694 /nfs/dbraw/zinc/54/96/94/555549694.db2.gz SUQRXGNRUNKAAR-MYYSRTQBSA-N 0 0 432.545 5.745 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 ZINC000000720525 555549730 /nfs/dbraw/zinc/54/97/30/555549730.db2.gz GFHWUBIEAVZQDB-SGANQWHYSA-N 0 0 432.545 5.745 50 30 IKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 ZINC000000720678 555549972 /nfs/dbraw/zinc/54/99/72/555549972.db2.gz GTMALCFWCWTLHG-QUGAMOGWSA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000721236 555550226 /nfs/dbraw/zinc/55/02/26/555550226.db2.gz QMPAZLQZGXTCEK-LWMHEAGWSA-N 0 0 425.484 5.186 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc2c(cc1Br)OCO2 ZINC000000756486 555554155 /nfs/dbraw/zinc/55/41/55/555554155.db2.gz LBXRTSABDOEHLK-NRFANRHFSA-N 0 0 441.325 5.400 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781188 555555058 /nfs/dbraw/zinc/55/50/58/555555058.db2.gz VCCPBBWFNKCBSJ-KSFYIVLOSA-N 0 0 439.602 5.657 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781187 555555072 /nfs/dbraw/zinc/55/50/72/555555072.db2.gz VCCPBBWFNKCBSJ-ZHRRBRCNSA-N 0 0 439.602 5.657 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781256 555555128 /nfs/dbraw/zinc/55/51/28/555555128.db2.gz LNQPVILKDZBTBG-AOMKIAJQSA-N 0 0 425.525 5.200 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000781285 555555245 /nfs/dbraw/zinc/55/52/45/555555245.db2.gz VNTBBYYGWZQXCW-SBUREZEXSA-N 0 0 437.561 5.015 50 30 IKEARN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccncc2)cc1C ZINC000000796358 555558027 /nfs/dbraw/zinc/55/80/27/555558027.db2.gz ZPGMSDHMRPCEOZ-UHFFFAOYSA-N 0 0 429.549 5.195 50 30 IKEARN COc1ccc(-c2oc(/N=C/c3ccc(O)cc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000000805321 555560033 /nfs/dbraw/zinc/56/00/33/555560033.db2.gz ZWONKGKGRLMVDS-RWPZCVJISA-N 0 0 440.455 5.664 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000000808704 555560328 /nfs/dbraw/zinc/56/03/28/555560328.db2.gz RYGONUJZKYOZNN-MMTVBGGISA-N 0 0 440.543 6.073 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1 ZINC000000812877 555561190 /nfs/dbraw/zinc/56/11/90/555561190.db2.gz NKZJACGFXGJYRH-CLYVBNDRSA-N 0 0 442.515 5.389 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000812932 555561229 /nfs/dbraw/zinc/56/12/29/555561229.db2.gz OSQNVTKXOKFBHH-LMKMVOKYSA-N 0 0 446.934 6.034 50 30 in-vitro IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl ZINC000000815897 555562067 /nfs/dbraw/zinc/56/20/67/555562067.db2.gz SRSOJXJDJDRYLG-LFBSBKMHSA-N 0 0 431.319 5.224 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1OC ZINC000000815786 555562083 /nfs/dbraw/zinc/56/20/83/555562083.db2.gz NOXGFUIHZRXLNU-XHCCPWGMSA-N 0 0 440.543 5.992 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1O ZINC000000815818 555562087 /nfs/dbraw/zinc/56/20/87/555562087.db2.gz ZUFFGJVOIPXCQQ-UZTOHYMASA-N 0 0 426.516 5.689 50 30 IKEARN CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000000815809 555562144 /nfs/dbraw/zinc/56/21/44/555562144.db2.gz TZUWKRAYJMAJJN-CRICUBBOSA-N 0 0 430.529 5.653 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000000844130 555568429 /nfs/dbraw/zinc/56/84/29/555568429.db2.gz SJNPZJQFLYAIKK-GAJHUEQPSA-N 0 0 439.914 5.404 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1 ZINC000000856556 555571469 /nfs/dbraw/zinc/57/14/69/555571469.db2.gz LZWMCIHUFKFIJD-WINIVTDRSA-N 0 0 442.584 6.397 50 30 IKEARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000000861345 555572359 /nfs/dbraw/zinc/57/23/59/555572359.db2.gz FAGKBBGHAXKAHP-MRDQGFSESA-N 0 0 430.935 6.328 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000000861349 555572750 /nfs/dbraw/zinc/57/27/50/555572750.db2.gz IXPGNTPEPUTNDM-HFJWLAOPSA-N 0 0 430.935 6.328 50 30 IKEARN Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000864952 555573538 /nfs/dbraw/zinc/57/35/38/555573538.db2.gz DRRRJIXDFCOCNZ-RUZDIDTESA-N 0 0 426.516 6.041 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2F)cc1 ZINC000000883135 555578092 /nfs/dbraw/zinc/57/80/92/555578092.db2.gz LBODXLCIFUOJRU-AKJBCIBTSA-N 0 0 432.470 5.953 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000883249 555578117 /nfs/dbraw/zinc/57/81/17/555578117.db2.gz NOHJYOJEXDRYDO-XRHLQHRESA-N 0 0 442.515 5.389 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2F)cc1 ZINC000000883141 555578159 /nfs/dbraw/zinc/57/81/59/555578159.db2.gz LBODXLCIFUOJRU-DXPJPUQTSA-N 0 0 432.470 5.953 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 ZINC000000949374 555588742 /nfs/dbraw/zinc/58/87/42/555588742.db2.gz WHOUHYVNOIUUCL-UHFFFAOYSA-N 0 0 429.354 5.849 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 ZINC000000970924 555591564 /nfs/dbraw/zinc/59/15/64/555591564.db2.gz CSZDKWFUAMZIAD-GKVSMKOHSA-N 0 0 434.461 6.685 50 30 IKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000979665 555593125 /nfs/dbraw/zinc/59/31/25/555593125.db2.gz NPGCYKHHXMQEJR-UHFFFAOYSA-N 0 0 437.580 5.409 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000000986587 555594955 /nfs/dbraw/zinc/59/49/55/555594955.db2.gz ZTASUGYKTPNPGU-AFMDSPMNSA-N 0 0 442.584 6.305 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccccc1F ZINC000000994273 555598108 /nfs/dbraw/zinc/59/81/08/555598108.db2.gz IDEJIUWRQXBXJY-FQEVSTJZSA-N 0 0 432.417 5.531 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl ZINC000000997879 555599312 /nfs/dbraw/zinc/59/93/12/555599312.db2.gz VGODSZIIWZSODU-QFIPXVFZSA-N 0 0 429.347 6.156 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000001010072 555601694 /nfs/dbraw/zinc/60/16/94/555601694.db2.gz DXFSOTSALOYCFM-OAQYLSRUSA-N 0 0 449.963 5.556 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)ON=C1CSC(C)SC1 ZINC000001024001 555603990 /nfs/dbraw/zinc/60/39/90/555603990.db2.gz FXAPPZKKIJNVFW-UHFFFAOYSA-N 0 0 432.354 5.687 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(N(C)C)cc1)N2 ZINC000001041020 555610022 /nfs/dbraw/zinc/61/00/22/555610022.db2.gz BCPIAOICEJLSCK-VWLOTQADSA-N 0 0 426.564 5.556 50 30 IKEARN COc1cccc(/C=N/c2cc(/N=C/c3cccc(OC)c3O)cc(C(F)(F)F)c2)c1O ZINC000001048197 555611772 /nfs/dbraw/zinc/61/17/72/555611772.db2.gz HUJYZMXLPFPJOW-ZDMXEENZSA-N 0 0 444.409 5.635 50 30 IKEARN Cc1ccc(O/C(=N/C2(C(Cl)(Cl)Cl)Oc3ccccc3O2)C(F)(F)F)cc1 ZINC000001050512 555612966 /nfs/dbraw/zinc/61/29/66/555612966.db2.gz ICGBZBANGVXHDJ-ZVHZXABRSA-N 0 0 440.632 5.830 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccs1 ZINC000001066833 555618736 /nfs/dbraw/zinc/61/87/36/555618736.db2.gz SEFUVLYZRQMWHS-OYHNWAKOSA-N 0 0 427.953 5.326 50 30 IKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1F ZINC000001074521 555623256 /nfs/dbraw/zinc/62/32/56/555623256.db2.gz XDKMKSMRMGPQFU-CRICUBBOSA-N 0 0 449.522 5.148 50 30 IKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001077209 555624586 /nfs/dbraw/zinc/62/45/86/555624586.db2.gz RBQJCXIQDJZMJG-DCFHFQCYSA-N 0 0 426.585 6.696 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000001077000 555624593 /nfs/dbraw/zinc/62/45/93/555624593.db2.gz QEBMURGLDOWRRC-FATZIPQQSA-N 0 0 441.383 7.034 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000001077003 555624656 /nfs/dbraw/zinc/62/46/56/555624656.db2.gz QEBMURGLDOWRRC-QKFKETGDSA-N 0 0 441.383 7.034 50 30 IKEARN Cn1cccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000001084147 555626206 /nfs/dbraw/zinc/62/62/06/555626206.db2.gz IASDRNVNEONLOG-RUZDIDTESA-N 0 0 425.532 5.482 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001082102 555626212 /nfs/dbraw/zinc/62/62/12/555626212.db2.gz KCENSAJUJSBWMW-FDDCHVKYSA-N 0 0 436.939 5.048 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107161 555629569 /nfs/dbraw/zinc/62/95/69/555629569.db2.gz RFRLKHBOFUCJLI-GKVSMKOHSA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001107176 555629624 /nfs/dbraw/zinc/62/96/24/555629624.db2.gz KVBFJHWUHYHGJR-CRICUBBOSA-N 0 0 445.906 6.228 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001120524 555637276 /nfs/dbraw/zinc/63/72/76/555637276.db2.gz COVPLLUFWZDQIK-FYYLOGMGSA-N 0 0 433.548 5.050 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001123519 555639047 /nfs/dbraw/zinc/63/90/47/555639047.db2.gz BHOVGMRNGZGRNQ-NIYFSFCBSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000001123570 555639121 /nfs/dbraw/zinc/63/91/21/555639121.db2.gz CJXMQLAXIVLDAD-QYBDOPJKSA-N 0 0 425.488 5.883 50 30 IKEARN NC1=C(C(=O)c2ccccc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1c1ccccc1 ZINC000001126438 555641067 /nfs/dbraw/zinc/64/10/67/555641067.db2.gz DEYAMEJWYONLPR-HSZRJFAPSA-N 0 0 426.541 5.412 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(SC)cc1 ZINC000001130160 555643968 /nfs/dbraw/zinc/64/39/68/555643968.db2.gz SAXCBFNQTZAPLH-DVECYGJZSA-N 0 0 433.573 5.333 50 30 IKEARN Cc1ccc(C(=O)C2=C(N)N(c3cccnc3)C3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 ZINC000001130416 555644166 /nfs/dbraw/zinc/64/41/66/555644166.db2.gz RSQCHAOFARIGAM-QHCPKHFHSA-N 0 0 441.556 5.116 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000001132841 555645729 /nfs/dbraw/zinc/64/57/29/555645729.db2.gz OAGBZAFLRCGTBD-YCRPNKLZSA-N 0 0 445.437 5.223 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000001132870 555645755 /nfs/dbraw/zinc/64/57/55/555645755.db2.gz QHBICNYMJNTCBC-XCLFUZPHSA-N 0 0 432.303 5.121 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000001132872 555645774 /nfs/dbraw/zinc/64/57/74/555645774.db2.gz QHBICNYMJNTCBC-RNODOKPDSA-N 0 0 432.303 5.121 50 30 IKEARN CC(=O)Nc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001135008 555646567 /nfs/dbraw/zinc/64/65/67/555646567.db2.gz KWZFNXJXMQGOAQ-PIKZIKFNSA-N 0 0 437.543 5.933 50 30 IKEARN CC(=O)Nc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000001135007 555646606 /nfs/dbraw/zinc/64/66/06/555646606.db2.gz KWZFNXJXMQGOAQ-KMRXNPHXSA-N 0 0 437.543 5.933 50 30 IKEARN O=C1Nc2ccccc2/C1=C1/S/C(=N\c2ccc(F)cc2)N(c2ccc(F)cc2)C1=O ZINC000001136722 555647183 /nfs/dbraw/zinc/64/71/83/555647183.db2.gz XXXZJQNYFCICPR-LWHDSRAQSA-N 0 0 433.439 5.096 50 30 IKEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 ZINC000001146419 555653774 /nfs/dbraw/zinc/65/37/74/555653774.db2.gz PLXXREVEQJNVMN-UHFFFAOYSA-N 0 0 449.300 5.499 50 30 IKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000001147919 555654722 /nfs/dbraw/zinc/65/47/22/555654722.db2.gz AWIYDOPOGWXPKE-GKVSMKOHSA-N 0 0 429.451 5.713 50 30 IKEARN O=C1CCCC2=C1C(c1cccc(OCc3ccc([N+](=O)[O-])cc3)c1)C1=C(CCCC1=O)O2 ZINC000001157975 555660180 /nfs/dbraw/zinc/66/01/80/555660180.db2.gz UEVIYBPWEKTELK-UHFFFAOYSA-N 0 0 445.471 5.302 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1cccc(Br)c1 ZINC000001171356 555666793 /nfs/dbraw/zinc/66/67/93/555666793.db2.gz YTQYBNLISSVMAD-QHCPKHFHSA-N 0 0 433.349 6.307 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000001175441 555669429 /nfs/dbraw/zinc/66/94/29/555669429.db2.gz ABSKUYHPUOTOHA-IBGZPJMESA-N 0 0 432.467 5.374 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001184508 555673435 /nfs/dbraw/zinc/67/34/35/555673435.db2.gz XWIKZAASTVWJOU-IERDGZPVSA-N 0 0 427.591 5.370 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000001201879 555678813 /nfs/dbraw/zinc/67/88/13/555678813.db2.gz NICAULMNTWUNIH-IVZQSRNASA-N 0 0 442.342 5.528 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001202585 555679095 /nfs/dbraw/zinc/67/90/95/555679095.db2.gz VAHSKKMELNMDEV-DFBJGRDBSA-N 0 0 433.523 5.387 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001202514 555679104 /nfs/dbraw/zinc/67/91/04/555679104.db2.gz JEBIZTUAMZAJHH-HFZDXXHNSA-N 0 0 427.544 5.534 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001202719 555679430 /nfs/dbraw/zinc/67/94/30/555679430.db2.gz BRXDEBWFHMZQRS-FNZWTVRRSA-N 0 0 445.534 5.673 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(F)c2)cc1 ZINC000001204087 555679657 /nfs/dbraw/zinc/67/96/57/555679657.db2.gz NOCCFNHRVZGIOG-DEOSSOPVSA-N 0 0 449.522 5.182 50 30 IKEARN Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001216813 555684241 /nfs/dbraw/zinc/68/42/41/555684241.db2.gz XLAHUQIIMZNDHU-BCHFMIIMSA-N 0 0 425.488 5.883 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000001219402 555685353 /nfs/dbraw/zinc/68/53/53/555685353.db2.gz FMXRLXNNXMDUPU-XMMPIXPASA-N 0 0 437.495 5.007 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3cccc(F)c3)C12 ZINC000001283583 555689029 /nfs/dbraw/zinc/68/90/29/555689029.db2.gz PLNBLLCZNYBXKP-HXUWFJFHSA-N 0 0 440.931 5.385 50 30 IKEARN CC1=Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2)C1C(=O)c1ccccc1 ZINC000001431392 555696492 /nfs/dbraw/zinc/69/64/92/555696492.db2.gz AKLNFTWAEIPCCY-QFIPXVFZSA-N 0 0 444.332 5.971 50 30 IKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)c1 ZINC000001434811 555696869 /nfs/dbraw/zinc/69/68/69/555696869.db2.gz UEJVMKHATLIVQX-WTYVLRPYSA-N 0 0 440.543 6.073 50 30 IKEARN CSc1nnc(N2C(=O)C[C@@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)s1 ZINC000001445851 555698729 /nfs/dbraw/zinc/69/87/29/555698729.db2.gz QSXDDHOJLANZIU-LBPRGKRZSA-N 0 0 433.986 5.077 50 30 IKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2 ZINC000001445920 555699018 /nfs/dbraw/zinc/69/90/18/555699018.db2.gz ZFRJQLJGTOIGFV-QYBDOPJKSA-N 0 0 435.479 6.120 50 30 IKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2 ZINC000001445919 555699052 /nfs/dbraw/zinc/69/90/52/555699052.db2.gz ZFRJQLJGTOIGFV-HFJWLAOPSA-N 0 0 435.479 6.120 50 30 IKEARN CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000001459246 555700241 /nfs/dbraw/zinc/70/02/41/555700241.db2.gz AWCFAQPUAJPTMI-PPHZAIPVSA-N 0 0 427.523 5.871 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000001458721 555700274 /nfs/dbraw/zinc/70/02/74/555700274.db2.gz VJVHKTKWGJZVPO-BDYUSTAISA-N 0 0 431.535 6.396 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000001458719 555700340 /nfs/dbraw/zinc/70/03/40/555700340.db2.gz VJVHKTKWGJZVPO-XNMGPUDCSA-N 0 0 431.535 6.396 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001467859 555701117 /nfs/dbraw/zinc/70/11/17/555701117.db2.gz KGWJKHNQEUXZHS-HFJWLAOPSA-N 0 0 441.487 5.583 50 30 IKEARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001764016 555712804 /nfs/dbraw/zinc/71/28/04/555712804.db2.gz GYFJFORLMLPDHU-OAQYLSRUSA-N 0 0 443.981 5.481 50 30 IKEARN COc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C/c3ccccc3OC)cc2)cc1 ZINC000001882088 555722242 /nfs/dbraw/zinc/72/22/42/555722242.db2.gz HKYJFJYBGMISHG-CZYCKNNWSA-N 0 0 436.511 6.997 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000002030976 555727942 /nfs/dbraw/zinc/72/79/42/555727942.db2.gz QXWKCICSFIXFJP-HSZRJFAPSA-N 0 0 441.568 5.041 50 30 IKEARN CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccc(O)cc31)O2 ZINC000002049080 555728361 /nfs/dbraw/zinc/72/83/61/555728361.db2.gz ROWVTODRWLDREG-LJAQVGFWSA-N 0 0 442.603 7.495 50 30 IKEARN Clc1ccccc1/C=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000002051778 555729221 /nfs/dbraw/zinc/72/92/21/555729221.db2.gz NXJXNXLKSDAELX-TWKHWXDSSA-N 0 0 433.942 7.610 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002055496 555730563 /nfs/dbraw/zinc/73/05/63/555730563.db2.gz MIGNWMISBXVCAV-HXUWFJFHSA-N 0 0 447.959 5.002 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C ZINC000002055452 555730600 /nfs/dbraw/zinc/73/06/00/555730600.db2.gz AHEKUNMMNLALIW-XMMPIXPASA-N 0 0 439.596 5.811 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000002057535 555731057 /nfs/dbraw/zinc/73/10/57/555731057.db2.gz SYSLHZGKUNLUIS-OTZCALNNSA-N 0 0 442.968 5.522 50 30 IKEARN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1I ZINC000002059557 555731442 /nfs/dbraw/zinc/73/14/42/555731442.db2.gz SQECGMGRURQSPK-OEAKJJBVSA-N 0 0 427.285 5.929 50 30 IKEARN CC1(C)C[C@@H](n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 ZINC000002060632 555731668 /nfs/dbraw/zinc/73/16/68/555731668.db2.gz XHTPKSASFCGETM-IBGZPJMESA-N 0 0 449.620 5.414 50 30 IKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000002062753 555732462 /nfs/dbraw/zinc/73/24/62/555732462.db2.gz WXDSFPLZUYEPTP-UHFFFAOYSA-N 0 0 434.319 5.921 50 30 IKEARN C=CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002063383 555732708 /nfs/dbraw/zinc/73/27/08/555732708.db2.gz BWUFOBOFNRYJEX-MUUNZHRXSA-N 0 0 439.555 6.723 50 30 IKEARN Cc1cccc(N2C3=C(C(=O)c4ccccc43)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)c1 ZINC000002063453 555732721 /nfs/dbraw/zinc/73/27/21/555732721.db2.gz MFLUFMCINVVGNQ-AREMUKBSSA-N 0 0 445.562 6.850 50 30 IKEARN C=CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002063384 555732787 /nfs/dbraw/zinc/73/27/87/555732787.db2.gz BWUFOBOFNRYJEX-NDEPHWFRSA-N 0 0 439.555 6.723 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000002066317 555733314 /nfs/dbraw/zinc/73/33/14/555733314.db2.gz UOHPYJANHWBUCN-XMMPIXPASA-N 0 0 438.612 5.480 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC ZINC000002066956 555733684 /nfs/dbraw/zinc/73/36/84/555733684.db2.gz VMRRVSTVCGTUNH-QHCPKHFHSA-N 0 0 425.569 5.423 50 30 IKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Cl)c(Cl)c1 ZINC000002066928 555733695 /nfs/dbraw/zinc/73/36/95/555733695.db2.gz RCXMEQWTKYVIIY-QLNITERQSA-N 0 0 448.400 6.154 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2C)c1O ZINC000002067733 555733967 /nfs/dbraw/zinc/73/39/67/555733967.db2.gz BTERVLSHRYNREA-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl ZINC000002068760 555734023 /nfs/dbraw/zinc/73/40/23/555734023.db2.gz FWVAUVWZIOZWNX-JAIQZWGSSA-N 0 0 427.308 6.542 50 30 IKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl ZINC000002067906 555734039 /nfs/dbraw/zinc/73/40/39/555734039.db2.gz FAGKMJJHPRBFMV-BHGWPJFGSA-N 0 0 446.131 7.315 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCCC ZINC000002069363 555734241 /nfs/dbraw/zinc/73/42/41/555734241.db2.gz UFXODLYHZPYKRY-XMMPIXPASA-N 0 0 425.569 5.567 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002069357 555734261 /nfs/dbraw/zinc/73/42/61/555734261.db2.gz JOVBHZCZJRRXEQ-HSZRJFAPSA-N 0 0 441.568 5.041 50 30 IKEARN CCOC(=O)C(=NNc1ccc(C)cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 ZINC000002073218 555735330 /nfs/dbraw/zinc/73/53/30/555735330.db2.gz OFDGIRDYFFEQAE-SZXQPVLSSA-N 0 0 449.532 5.217 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1CC ZINC000002081788 555738405 /nfs/dbraw/zinc/73/84/05/555738405.db2.gz ZLIKNLUFMVQUGZ-NMRWETQTSA-N 0 0 447.003 7.273 50 30 IKEARN CCCOc1ccccc1/C=C1\S/C(=N\c2ccccc2C)N(c2ccccc2C)C1=O ZINC000002082317 555738666 /nfs/dbraw/zinc/73/86/66/555738666.db2.gz OOPHUGDEBSWVEU-ZEHKLFRWSA-N 0 0 442.584 6.901 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C ZINC000002093014 555741439 /nfs/dbraw/zinc/74/14/39/555741439.db2.gz XYNRMYPDJUIFHA-YWROOUKNSA-N 0 0 429.501 6.020 50 30 IKEARN COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC ZINC000002095657 555741974 /nfs/dbraw/zinc/74/19/74/555741974.db2.gz RBRZIZZMGSUBAI-JXKYSLRESA-N 0 0 444.556 6.129 50 30 IKEARN Cc1nn(C)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C(C)(C)C)C2 ZINC000002112732 555744433 /nfs/dbraw/zinc/74/44/33/555744433.db2.gz SVHWGRXZNDGIFN-NEOOYVHHSA-N 0 0 440.657 5.754 50 30 IKEARN CCCCCCCSc1nc(=O)c2sc3c(c2n1Cc1ccccc1)CCCC3 ZINC000002127310 555745933 /nfs/dbraw/zinc/74/59/33/555745933.db2.gz MCIBFYLGUGOLHO-UHFFFAOYSA-N 0 0 426.651 6.448 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C ZINC000002125556 555745940 /nfs/dbraw/zinc/74/59/40/555745940.db2.gz BAQGGTWHWFIMHJ-LMTJQJACSA-N 0 0 428.557 5.676 50 30 IKEARN CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000002128275 555745943 /nfs/dbraw/zinc/74/59/43/555745943.db2.gz YRMZPQARRFYNIE-UHFFFAOYSA-N 0 0 436.592 6.656 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc12 ZINC000002141525 555748263 /nfs/dbraw/zinc/74/82/63/555748263.db2.gz QXBDYDYTACEPOV-PFMNSIPKSA-N 0 0 432.545 5.489 50 30 IKEARN O=C(Oc1cccc(C(F)(F)F)c1)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F ZINC000002142260 555748435 /nfs/dbraw/zinc/74/84/35/555748435.db2.gz JTCUHEXZNMQKPF-UHFFFAOYSA-N 0 0 443.225 5.005 50 30 IKEARN Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c(Cl)c1 ZINC000002166300 555751461 /nfs/dbraw/zinc/75/14/61/555751461.db2.gz VXBTWDQTPZPEPN-MZJWZYIUSA-N 0 0 433.294 7.812 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O ZINC000002174465 555752384 /nfs/dbraw/zinc/75/23/84/555752384.db2.gz YASOULSQRVOPLY-WRANEOQNSA-N 0 0 430.957 5.704 50 30 IKEARN Cc1cccc(NC2=NC(=S)N(c3ccc(C)cc3Br)C23CCCCC3)c1 ZINC000002187642 555755466 /nfs/dbraw/zinc/75/54/66/555755466.db2.gz INXQBBLOWACHNY-UHFFFAOYSA-N 0 0 442.426 6.605 50 30 IKEARN CCCCCCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000002187612 555755482 /nfs/dbraw/zinc/75/54/82/555755482.db2.gz RRUPSCUCZSIRMV-UHFFFAOYSA-N 0 0 437.587 7.054 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O ZINC000002188165 555755903 /nfs/dbraw/zinc/75/59/03/555755903.db2.gz WOBPYWLILPGBNJ-GZAOZUBMSA-N 0 0 430.529 5.826 50 30 IKEARN O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SC(F)(F)C(F)(F)F ZINC000002191524 555756507 /nfs/dbraw/zinc/75/65/07/555756507.db2.gz LGTQKCOWVXLPKJ-UHFFFAOYSA-N 0 0 426.313 5.174 50 30 IKEARN COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)S/C1=N\c1ccccc1 ZINC000002252645 555762534 /nfs/dbraw/zinc/76/25/34/555762534.db2.gz YAQQDEQVRJHYNY-OBUXZSPNSA-N 0 0 431.561 5.345 50 30 IKEARN COc1ccc2c(c1)C(=C1SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2 ZINC000002270495 555764087 /nfs/dbraw/zinc/76/40/87/555764087.db2.gz CEGRGVVMJBBEEU-RELWKKBWSA-N 0 0 439.627 6.376 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(OCc4ccccc4)cc3)C12 ZINC000002291771 555765897 /nfs/dbraw/zinc/76/58/97/555765897.db2.gz WEEQQYKTLFDLGJ-GDLZYMKVSA-N 0 0 447.559 7.132 50 30 IKEARN COc1ccc(/N=C/C2=C(c3cccs3)Oc3ccccc3[C@H]2c2ccccc2C)cc1 ZINC000002294338 555766320 /nfs/dbraw/zinc/76/63/20/555766320.db2.gz VFZJJXPBAFCJGD-ZOODIOSSSA-N 0 0 437.564 7.403 50 30 IKEARN Cc1ccccc1C(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000002300596 555766592 /nfs/dbraw/zinc/76/65/92/555766592.db2.gz FYXUEULASVHMRB-UHFFFAOYSA-N 0 0 428.735 5.450 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002462439 555782947 /nfs/dbraw/zinc/78/29/47/555782947.db2.gz XEXSXBVLADCZJZ-IBVKSMDESA-N 0 0 443.543 5.240 50 30 IKEARN Fc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000002506451 555784794 /nfs/dbraw/zinc/78/47/94/555784794.db2.gz IYTCTXLMCSANFW-VULFUBBASA-N 0 0 433.487 5.138 50 30 IKEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccccc1Cl ZINC000002506507 555785062 /nfs/dbraw/zinc/78/50/62/555785062.db2.gz JWTFZWZJSWNPDV-ZMOGYAJESA-N 0 0 427.888 5.019 50 30 IKEARN CCNC(=S)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000002531256 555786172 /nfs/dbraw/zinc/78/61/72/555786172.db2.gz OONUYPXTIXJMHD-BRJLIKDPSA-N 0 0 446.359 5.184 50 30 IKEARN O=C(Oc1cccc(/C=N/NC(=S)Nc2cccc(Cl)c2)c1)c1ccc(Cl)cc1 ZINC000002542587 555786739 /nfs/dbraw/zinc/78/67/39/555786739.db2.gz RHPMDYYWMWPGAL-ZMOGYAJESA-N 0 0 444.343 5.533 50 30 IKEARN C=C1SC(Nc2ccc(Sc3ncc(C(F)(F)F)cc3Cl)cc2)=NC1(C)C ZINC000002562197 555787559 /nfs/dbraw/zinc/78/75/59/555787559.db2.gz SRJXHAUIZZZEGT-UHFFFAOYSA-N 0 0 429.920 6.521 50 30 IKEARN C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667496 555791715 /nfs/dbraw/zinc/79/17/15/555791715.db2.gz YPWTUUKWFBFQLO-HRFSGMKKSA-N 0 0 444.550 5.043 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F ZINC000002727245 555803144 /nfs/dbraw/zinc/80/31/44/555803144.db2.gz MYDTUXQZYKGFBP-NSYGIPOTSA-N 0 0 449.522 5.149 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1 ZINC000002740694 555807429 /nfs/dbraw/zinc/80/74/29/555807429.db2.gz PKAPHACYLSPAAN-DVECYGJZSA-N 0 0 435.951 5.573 50 30 IKEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000002743198 555807609 /nfs/dbraw/zinc/80/76/09/555807609.db2.gz RWICWDKYSUSCFU-AUWJEWJLSA-N 0 0 428.138 5.648 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000002757848 555811461 /nfs/dbraw/zinc/81/14/61/555811461.db2.gz RWXTWGDPYNQHNG-BWKNWUBXSA-N 0 0 447.600 5.345 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000002757849 555811560 /nfs/dbraw/zinc/81/15/60/555811560.db2.gz RWXTWGDPYNQHNG-PXDATVDWSA-N 0 0 447.600 5.345 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(CC)cc1 ZINC000002757374 555811563 /nfs/dbraw/zinc/81/15/63/555811563.db2.gz LROSTCZLJWODRG-GJZUVCINSA-N 0 0 429.560 5.564 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002758043 555811859 /nfs/dbraw/zinc/81/18/59/555811859.db2.gz URHCQHNCKYUNEI-DVECYGJZSA-N 0 0 435.951 5.653 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000002775344 555817534 /nfs/dbraw/zinc/81/75/34/555817534.db2.gz ZFAYHMDKIHHFJC-KOSHJBKYSA-N 0 0 435.951 5.655 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000002784244 555820108 /nfs/dbraw/zinc/82/01/08/555820108.db2.gz YNMSAXPRGZAOGJ-CYFREDJKSA-N 0 0 435.951 5.655 50 30 IKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000002784240 555820163 /nfs/dbraw/zinc/82/01/63/555820163.db2.gz HRYVBDGISUPMBJ-AREMUKBSSA-N 0 0 445.559 5.400 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000002801388 555824421 /nfs/dbraw/zinc/82/44/21/555824421.db2.gz JTOFCINAFOCETG-OAQYLSRUSA-N 0 0 445.943 5.016 50 30 IKEARN C=CCOc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1OC ZINC000034712240 555825521 /nfs/dbraw/zinc/82/55/21/555825521.db2.gz MUQFGMPMIVBGPL-UHFFFAOYSA-N 0 0 434.439 5.655 50 30 IKEARN COc1ccc(OC)c(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000002807305 555826644 /nfs/dbraw/zinc/82/66/44/555826644.db2.gz YVSUAAIWHCGNFG-LMTJQJACSA-N 0 0 444.556 6.129 50 30 IKEARN CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl ZINC000002825162 555830998 /nfs/dbraw/zinc/83/09/98/555830998.db2.gz YYCMIARIGDHWHY-MFKUBSTISA-N 0 0 434.952 5.782 50 30 IKEARN CCN1C(=O)/C(=C/c2cn(CCC#N)nc2-c2ccc(-c3ccccc3)cc2)SC1=S ZINC000002829584 555831607 /nfs/dbraw/zinc/83/16/07/555831607.db2.gz ZJSPWCKAOBIAGW-QNGOZBTKSA-N 0 0 444.585 5.352 50 30 IKEARN COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4)c(C)c3)cc2C)cc1 ZINC000002832060 555832086 /nfs/dbraw/zinc/83/20/86/555832086.db2.gz QFJKAORJZKYRHP-GKTLAHRSSA-N 0 0 448.566 7.489 50 30 IKEARN C=CCOc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)cc1OC ZINC000002834222 555832395 /nfs/dbraw/zinc/83/23/95/555832395.db2.gz FLHPFACYVWRMEQ-BOPFTXTBSA-N 0 0 431.966 5.817 50 30 IKEARN Cc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1/N=C/c1cccc(Cl)c1Cl ZINC000002842442 555836391 /nfs/dbraw/zinc/83/63/91/555836391.db2.gz YZCVYJDAQDHUHU-LYXAAFRTSA-N 0 0 436.169 8.110 50 30 IKEARN CCOc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3OCC)cc2)cc1 ZINC000002842605 555836418 /nfs/dbraw/zinc/83/64/18/555836418.db2.gz CSDMZJYOJGBKIW-RWRHWQIFSA-N 0 0 448.566 7.652 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000002844516 555836998 /nfs/dbraw/zinc/83/69/98/555836998.db2.gz HSRHEDXSOZKCBK-YCRPNKLZSA-N 0 0 445.437 5.223 50 30 IKEARN N#CCCn1cc(CN(Cc2ccccc2)C(=O)c2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000002845772 555837652 /nfs/dbraw/zinc/83/76/52/555837652.db2.gz CNDJEGRUBVFCCK-UHFFFAOYSA-N 0 0 438.506 5.445 50 30 IKEARN CC(=O)Nc1c(SC(F)(F)F)cc(SC(F)(F)F)cc1SC(F)(F)F ZINC000002846214 555837702 /nfs/dbraw/zinc/83/77/02/555837702.db2.gz GOYPLDCRGURLEF-UHFFFAOYSA-N 0 0 435.358 6.481 50 30 IKEARN CCOc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1OCC ZINC000002848736 555838385 /nfs/dbraw/zinc/83/83/85/555838385.db2.gz VKVCVJLKALCPEZ-RWRHWQIFSA-N 0 0 448.566 7.652 50 30 IKEARN Cc1cccc(OCCOc2ccc(Cl)cc2/C=N/NC(=S)Nc2ccccc2)c1 ZINC000002850022 555838936 /nfs/dbraw/zinc/83/89/36/555838936.db2.gz GUWVYLYHOQMPDP-PCLIKHOPSA-N 0 0 439.968 5.427 50 30 IKEARN CCOc1ccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(OCC)cc2)cc1 ZINC000002854202 555840811 /nfs/dbraw/zinc/84/08/11/555840811.db2.gz LXLMGRXYJQOHBY-RWRHWQIFSA-N 0 0 448.566 7.652 50 30 IKEARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)NC(Nc2ccc(Cl)cc2Cl)=N1 ZINC000002861678 555845161 /nfs/dbraw/zinc/84/51/61/555845161.db2.gz FJCSJUUHDWLHCA-AWEZNQCLSA-N 0 0 446.121 5.245 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000002868468 555848395 /nfs/dbraw/zinc/84/83/95/555848395.db2.gz KZRBESXBLONNEJ-RUZDIDTESA-N 0 0 431.532 5.185 50 30 IKEARN CCCCCCCc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 ZINC000002901009 555860580 /nfs/dbraw/zinc/86/05/80/555860580.db2.gz YZVSKPTVTFPSMJ-UHFFFAOYSA-N 0 0 431.399 6.385 50 30 IKEARN Cc1ccc(O)c(/C=N/n2c(=O)c3c4c(sc3nc2-c2ccccc2C)CCCC4)c1 ZINC000002986743 555874317 /nfs/dbraw/zinc/87/43/17/555874317.db2.gz DIEPOURRBYOICO-VULFUBBASA-N 0 0 429.545 5.208 50 30 IKEARN O=[N+]([O-])c1ccc2nc(Sc3ccc(/C=N/c4ccc5ccccc5c4)o3)sc2c1 ZINC000003086566 555885117 /nfs/dbraw/zinc/88/51/17/555885117.db2.gz PEHXXUAUQOOUQS-YDZHTSKRSA-N 0 0 431.498 6.853 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000003098420 555886400 /nfs/dbraw/zinc/88/64/00/555886400.db2.gz IOUHODBDRMQFMG-NRFANRHFSA-N 0 0 448.390 6.083 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000003098422 555886440 /nfs/dbraw/zinc/88/64/40/555886440.db2.gz VBHXRBFTMHYHBI-NRFANRHFSA-N 0 0 448.390 6.083 50 30 IKEARN O=C(/C=C\c1ccccc1)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000097332911 555888285 /nfs/dbraw/zinc/88/82/85/555888285.db2.gz CZUHWWTWBZXVCQ-JAIQZWGSSA-N 0 0 428.491 6.967 50 30 IKEARN FC(F)(F)c1cccc(-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1 ZINC000003125872 555889639 /nfs/dbraw/zinc/88/96/39/555889639.db2.gz QHPZTXRNCXXCRP-UHFFFAOYSA-N 0 0 426.238 6.460 50 30 IKEARN O=C(O/N=C/c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC000003127561 555889898 /nfs/dbraw/zinc/88/98/98/555889898.db2.gz UIYRKOIVCWOBQA-RPPGKUMJSA-N 0 0 436.842 6.096 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1ccc(N(C)C)cc1 ZINC000003135292 555890923 /nfs/dbraw/zinc/89/09/23/555890923.db2.gz RJZCDTOIBANVHY-FOKLQQMPSA-N 0 0 433.295 5.605 50 30 IKEARN CCOC(=O)c1cc(CC(C)C)sc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000003150637 555892379 /nfs/dbraw/zinc/89/23/79/555892379.db2.gz NQNZIIHCSWWMBK-DHRITJCHSA-N 0 0 425.550 6.205 50 30 IKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000003195760 555896866 /nfs/dbraw/zinc/89/68/66/555896866.db2.gz IBGIWYVQVOTBTG-UHFFFAOYSA-N 0 0 448.346 6.311 50 30 IKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000003196751 555897176 /nfs/dbraw/zinc/89/71/76/555897176.db2.gz XBOZAJCIZDUTDR-UHFFFAOYSA-N 0 0 429.516 6.158 50 30 IKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000034799366 555918702 /nfs/dbraw/zinc/91/87/02/555918702.db2.gz QMPAZLQZGXTCEK-YQACCMODSA-N 0 0 425.484 5.186 50 30 IKEARN CCOC(=O)CC1=CS/C(=N/c2cc(C(F)(F)F)ccc2Cl)N(C(C)(C)C)N1 ZINC000003326637 555920974 /nfs/dbraw/zinc/92/09/74/555920974.db2.gz XYLHOJGYGPBDSJ-XQNSMLJCSA-N 0 0 435.899 5.493 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cccs1 ZINC000003639486 555943047 /nfs/dbraw/zinc/94/30/47/555943047.db2.gz AISMWPYDQOWCRL-GYCJOSAFSA-N 0 0 437.561 5.072 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 ZINC000003639482 555943094 /nfs/dbraw/zinc/94/30/94/555943094.db2.gz AISMWPYDQOWCRL-UPCLLVRISA-N 0 0 437.561 5.072 50 30 IKEARN Cc1ccc(C(=O)C2=C3Sc4ccccc4N3C[C@@H](C(=O)c3ccc(C)cc3)C2)cc1 ZINC000003648539 555943900 /nfs/dbraw/zinc/94/39/00/555943900.db2.gz WNIMNXOYTCWXFQ-NRFANRHFSA-N 0 0 425.553 6.213 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\c1ccc(C)cc1 ZINC000003768575 555945997 /nfs/dbraw/zinc/94/59/97/555945997.db2.gz CAUZIJFGNYRKKO-ZMRQUTOFSA-N 0 0 447.482 5.160 50 30 IKEARN COc1ccc(C[NH+]=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)cc1 ZINC000003878056 555950255 /nfs/dbraw/zinc/95/02/55/555950255.db2.gz SLMOBIACZVPCCS-WGOQTCKBSA-N 0 0 440.528 5.070 50 30 IKEARN O=C(/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000004030937 555953895 /nfs/dbraw/zinc/95/38/95/555953895.db2.gz KIFCNWJRTXNGKJ-ILUFSXPBSA-N 0 0 428.535 7.100 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc32)cc1 ZINC000004046888 555955296 /nfs/dbraw/zinc/95/52/96/555955296.db2.gz IBSKXRMGHUTOPQ-DFXYEROKSA-N 0 0 446.550 6.828 50 30 IKEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004047855 555955592 /nfs/dbraw/zinc/95/55/92/555955592.db2.gz AGQNVTZMIXEHKC-KPURRNSFSA-N 0 0 437.587 6.512 50 30 IKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004060374 555956483 /nfs/dbraw/zinc/95/64/83/555956483.db2.gz KXTDPSFRKVEGGC-FQRUVTKNSA-N 0 0 445.559 5.400 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004061668 555956929 /nfs/dbraw/zinc/95/69/29/555956929.db2.gz SEXTWCBGUMZWDP-DEOSSOPVSA-N 0 0 437.580 5.565 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000004064502 555957243 /nfs/dbraw/zinc/95/72/43/555957243.db2.gz XSNLCTYJONDVHU-YHAMSUFESA-N 0 0 448.925 6.467 50 30 biogenic,in-vitro IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000004065501 555957399 /nfs/dbraw/zinc/95/73/99/555957399.db2.gz WPJSWEYGXJTELH-LMKMVOKYSA-N 0 0 435.354 6.973 50 30 IKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000004065121 555957410 /nfs/dbraw/zinc/95/74/10/555957410.db2.gz HFWYMXXBUFGSLR-XHCCPWGMSA-N 0 0 444.962 6.718 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2 ZINC000004065503 555957495 /nfs/dbraw/zinc/95/74/95/555957495.db2.gz WPJSWEYGXJTELH-PUAOIOHZSA-N 0 0 435.354 6.973 50 30 IKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000004075115 555958336 /nfs/dbraw/zinc/95/83/36/555958336.db2.gz CFAAYVLWXFPNFY-DNOBIOAJSA-N 0 0 440.499 5.403 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000004078025 555958341 /nfs/dbraw/zinc/95/83/41/555958341.db2.gz NNEXSNHINRWDGU-PUAOIOHZSA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000004078857 555958595 /nfs/dbraw/zinc/95/85/95/555958595.db2.gz LBSCKXDYZKHMGB-WGDIFIGCSA-N 0 0 444.918 6.048 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(OC(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004081153 555958872 /nfs/dbraw/zinc/95/88/72/555958872.db2.gz WWIXZOWECVWWJU-QFIPXVFZSA-N 0 0 430.470 6.424 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000004082012 555958885 /nfs/dbraw/zinc/95/88/85/555958885.db2.gz GUPPYNAVRNACFU-GKVSMKOHSA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2 ZINC000004082564 555958944 /nfs/dbraw/zinc/95/89/44/555958944.db2.gz ZVNIIVXBILHVGW-CPJLOUKISA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 ZINC000004082978 555959291 /nfs/dbraw/zinc/95/92/91/555959291.db2.gz ODDZZRWZCIJQFO-NJHZRGNWSA-N 0 0 442.562 7.333 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 ZINC000004115233 555963705 /nfs/dbraw/zinc/96/37/05/555963705.db2.gz RTTVSPBXTUERDY-JOCHJYFZSA-N 0 0 427.610 5.149 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 ZINC000004180918 555974264 /nfs/dbraw/zinc/97/42/64/555974264.db2.gz UZCIMOZMIPOQJY-JOCHJYFZSA-N 0 0 439.353 5.612 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 ZINC000004180917 555974278 /nfs/dbraw/zinc/97/42/78/555974278.db2.gz UZCIMOZMIPOQJY-QFIPXVFZSA-N 0 0 439.353 5.612 50 30 IKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1)C(F)(F)F ZINC000004199804 555975679 /nfs/dbraw/zinc/97/56/79/555975679.db2.gz WDXYBELJSVHFQV-YEJXKQKISA-N 0 0 442.393 5.336 50 30 IKEARN S=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)NC1CCCCC1 ZINC000004209599 555976362 /nfs/dbraw/zinc/97/63/62/555976362.db2.gz HXZRKLBIKUDOFD-OEAKJJBVSA-N 0 0 446.414 5.159 50 30 IKEARN S=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)NC1CCCCC1 ZINC000004210611 555976370 /nfs/dbraw/zinc/97/63/70/555976370.db2.gz LQJUAGNRPLPPQA-OEAKJJBVSA-N 0 0 446.414 5.159 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004349871 555988908 /nfs/dbraw/zinc/98/89/08/555988908.db2.gz BCHULALFBLLPAM-VWLOTQADSA-N 0 0 428.576 5.800 50 30 IKEARN COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000004471304 555995733 /nfs/dbraw/zinc/99/57/33/555995733.db2.gz XAJZRDVQUQZTAJ-HZHRSRAPSA-N 0 0 430.529 5.474 50 30 IKEARN COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000004546930 556000464 /nfs/dbraw/zinc/00/04/64/556000464.db2.gz RZWAHTGGSSNXIY-FTJBHMTQSA-N 0 0 439.942 7.166 50 30 IKEARN COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000004546626 556000548 /nfs/dbraw/zinc/00/05/48/556000548.db2.gz BDJDWCPJUGITMR-SXOMAYOGSA-N 0 0 439.942 7.166 50 30 IKEARN CCOC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 ZINC000004547547 556000557 /nfs/dbraw/zinc/00/05/57/556000557.db2.gz KCXADVDUJSRDAW-RPCRKUJJSA-N 0 0 447.534 6.501 50 30 IKEARN CCOc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OCC)cc2)=N\O)cc1 ZINC000004577884 556002687 /nfs/dbraw/zinc/00/26/87/556002687.db2.gz FOUGSWFUINRTOL-DSOYXUETSA-N 0 0 426.557 6.272 50 30 IKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 ZINC000005092549 556032020 /nfs/dbraw/zinc/03/20/20/556032020.db2.gz KNSLAUYCFAAQEL-XHCCPWGMSA-N 0 0 427.548 6.105 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000005091641 556032087 /nfs/dbraw/zinc/03/20/87/556032087.db2.gz QGINGTOFZBVZKJ-RUZDIDTESA-N 0 0 431.580 5.552 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000006077000 556074832 /nfs/dbraw/zinc/07/48/32/556074832.db2.gz LALRTYWBIYNSER-MUUNZHRXSA-N 0 0 441.571 6.945 50 30 IKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OC ZINC000006089739 556076221 /nfs/dbraw/zinc/07/62/21/556076221.db2.gz UYDAAXFSHMLTJY-QUGAMOGWSA-N 0 0 446.572 6.135 50 30 IKEARN Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000006194042 556080021 /nfs/dbraw/zinc/08/00/21/556080021.db2.gz FMFVVFBZIDXXLZ-YDZHTSKRSA-N 0 0 428.317 6.066 50 30 IKEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000006394510 556086650 /nfs/dbraw/zinc/08/66/50/556086650.db2.gz OLJRMDRLLOHXIE-JWGURIENSA-N 0 0 443.524 5.419 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1 ZINC000006498940 556091780 /nfs/dbraw/zinc/09/17/80/556091780.db2.gz VKWBHSAKGOIDEP-QYBDOPJKSA-N 0 0 428.488 5.209 50 30 IKEARN O=C1[C@@H](Cc2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002671063 556118258 /nfs/dbraw/zinc/11/82/58/556118258.db2.gz PENRTCCVDAAWQS-IPQBESIJSA-N 0 0 427.356 6.372 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000002671717 556118444 /nfs/dbraw/zinc/11/84/44/556118444.db2.gz QUSNHTFPYFAUBN-STZFKDTASA-N 0 0 447.585 5.244 50 30 IKEARN COc1ccc(NC(=O)c2ccccc2)cc1/N=C/c1ccc(C#Cc2ccccc2)cc1 ZINC000002839608 556146124 /nfs/dbraw/zinc/14/61/24/556146124.db2.gz LSBPYXKCEDTPQA-MWAVMZGNSA-N 0 0 430.507 6.098 50 30 biogenic IKEARN C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2scc(-c3ccccc3)c2c1=O ZINC000002889472 556147495 /nfs/dbraw/zinc/14/74/95/556147495.db2.gz RYUSSUBNRWFJSI-UHFFFAOYSA-N 0 0 446.597 5.903 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S ZINC000002848057 556147834 /nfs/dbraw/zinc/14/78/34/556147834.db2.gz BNQCOUHNXZVGDO-HKWRFOASSA-N 0 0 445.993 5.575 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S ZINC000002847999 556147856 /nfs/dbraw/zinc/14/78/56/556147856.db2.gz COVOOJUONFCUBA-WQRHYEAKSA-N 0 0 436.385 5.960 50 30 IKEARN CCCCCCCCCCCCCCc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1 ZINC000008383667 556159444 /nfs/dbraw/zinc/15/94/44/556159444.db2.gz JQZMFOKYTVTCEW-ULIFNZDWSA-N 0 0 443.679 10.081 50 30 IKEARN Brc1cccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000008384857 556160609 /nfs/dbraw/zinc/16/06/09/556160609.db2.gz BKGCJBMQNKPMLM-BUVRLJJBSA-N 0 0 430.309 5.414 50 30 IKEARN Cc1ccc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000008384603 556160619 /nfs/dbraw/zinc/16/06/19/556160619.db2.gz OQZASONRRBHPCD-KWXIBIRDSA-N 0 0 429.523 5.588 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1cccc2ccccc21 ZINC000008385144 556161254 /nfs/dbraw/zinc/16/12/54/556161254.db2.gz SIDJDATZBYQNHC-YMVPSHTBSA-N 0 0 431.561 5.437 50 30 IKEARN CCCCCCCCCCCc1nc(C2CCC(C3CCC(CCC)CC3)CC2)no1 ZINC000008386761 556162188 /nfs/dbraw/zinc/16/21/88/556162188.db2.gz RIXQJSGEDVFAPF-UHFFFAOYSA-N 0 0 430.721 9.023 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1=O ZINC000008398035 556164578 /nfs/dbraw/zinc/16/45/78/556164578.db2.gz VIYIJBDAHBFZCU-RMKNXTFCSA-N 0 0 427.125 5.444 50 30 IKEARN COc1ccccc1/C=C/C(=O)c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O ZINC000008398123 556164769 /nfs/dbraw/zinc/16/47/69/556164769.db2.gz DGBLIWLOEONNDJ-SAPNQHFASA-N 0 0 433.463 5.545 50 30 IKEARN Clc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl ZINC000008398493 556164770 /nfs/dbraw/zinc/16/47/70/556164770.db2.gz KDEOOYRWKMDXQY-ZVHZXABRSA-N 0 0 442.354 5.358 50 30 IKEARN COc1ccc(/N=C(/N2CCCCC2)[P@@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1 ZINC000008399051 556165119 /nfs/dbraw/zinc/16/51/19/556165119.db2.gz CVZBIJNKNBIRMM-RFVFIGINSA-N 0 0 448.592 5.966 50 30 IKEARN COc1ccc(/C=N/N=C2\SC(=N\C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1 ZINC000008399225 556165307 /nfs/dbraw/zinc/16/53/07/556165307.db2.gz NFRLCTNVQZPKGY-HTGQBARJSA-N 0 0 449.624 6.033 50 30 IKEARN COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000008399521 556165334 /nfs/dbraw/zinc/16/53/34/556165334.db2.gz GCFVKOAPCXXDLM-KPKJPENVSA-N 0 0 440.326 6.459 50 30 IKEARN Clc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 ZINC000003044451 556166744 /nfs/dbraw/zinc/16/67/44/556166744.db2.gz UIIULSYEYPJGOT-STBIYBPSSA-N 0 0 438.914 7.478 50 30 IKEARN CCCCCCCCCCCc1nnc(NC(=O)c2cccc(Br)c2)s1 ZINC000008407134 556166761 /nfs/dbraw/zinc/16/67/61/556166761.db2.gz RXJPIDNNBARJLU-UHFFFAOYSA-N 0 0 438.435 6.626 50 30 IKEARN CCCCCCCCCCCCNc1nc(CC(C)C)nc2cc(OC)c(OC)cc21 ZINC000008416998 556167702 /nfs/dbraw/zinc/16/77/02/556167702.db2.gz DYNQIWMPBCNRPQ-UHFFFAOYSA-N 0 0 429.649 7.178 50 30 IKEARN CCCCCCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008425690 556168286 /nfs/dbraw/zinc/16/82/86/556168286.db2.gz ZBQXCSRSUCMDQH-UHFFFAOYSA-N 0 0 436.666 5.627 50 30 IKEARN O=C(/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000008425324 556168313 /nfs/dbraw/zinc/16/83/13/556168313.db2.gz PPDRQVRXHGAUNP-LFIBNONCSA-N 0 0 439.216 6.651 50 30 IKEARN Clc1ccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c(Cl)c1 ZINC000008427524 556169943 /nfs/dbraw/zinc/16/99/43/556169943.db2.gz RSYYKYVSEDRBCR-OPEKNORGSA-N 0 0 435.141 7.366 50 30 IKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000008430432 556170315 /nfs/dbraw/zinc/17/03/15/556170315.db2.gz OMNIURFCWDFEAJ-QYBDOPJKSA-N 0 0 430.573 6.516 50 30 IKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000008430438 556170475 /nfs/dbraw/zinc/17/04/75/556170475.db2.gz OMNIURFCWDFEAJ-WXTAPIANSA-N 0 0 430.573 6.516 50 30 IKEARN CN(C)c1ccc(/C=N/Nc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCCC4)cc1 ZINC000008431515 556171063 /nfs/dbraw/zinc/17/10/63/556171063.db2.gz IGNIFCVXTVNJLV-WGOQTCKBSA-N 0 0 449.624 5.354 50 30 IKEARN CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000008431734 556171447 /nfs/dbraw/zinc/17/14/47/556171447.db2.gz IZGYIPCECYBTOM-AREMUKBSSA-N 0 0 432.564 6.028 50 30 IKEARN CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 ZINC000008432106 556171548 /nfs/dbraw/zinc/17/15/48/556171548.db2.gz AJHDJVAAGJGEJD-MHZLTWQESA-N 0 0 446.591 6.419 50 30 IKEARN CCCCCCCCCCCCSc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000008432930 556172493 /nfs/dbraw/zinc/17/24/93/556172493.db2.gz PZKXDISQWWDGIK-UHFFFAOYSA-N 0 0 449.661 5.995 50 30 IKEARN COc1ccc(/C=N/c2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1 ZINC000008435128 556173062 /nfs/dbraw/zinc/17/30/62/556173062.db2.gz IAVIUQBSFAIHJI-ZCTHSVRISA-N 0 0 448.953 7.981 50 30 IKEARN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 ZINC000008435064 556173101 /nfs/dbraw/zinc/17/31/01/556173101.db2.gz VFLYQKHOKFQGFC-TURZUDJPSA-N 0 0 438.531 6.141 50 30 IKEARN N#C[C@@H]1CC(c2ccc(Br)cc2)=NN1c1c(F)c(F)c(Cl)c(F)c1F ZINC000008436871 556173343 /nfs/dbraw/zinc/17/33/43/556173343.db2.gz YAKPJLAZXNJRPL-VIFPVBQESA-N 0 0 432.602 5.165 50 30 IKEARN O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl ZINC000008438693 556174835 /nfs/dbraw/zinc/17/48/35/556174835.db2.gz AYRZFHJNKMIXRS-QDEBQFNMSA-N 0 0 429.903 5.518 50 30 IKEARN CCCCc1ccc(N=C2C=C(Nc3ccc(CCCC)cc3)C(=O)c3ccccc32)cc1 ZINC000008439345 556175410 /nfs/dbraw/zinc/17/54/10/556175410.db2.gz XFHRUCDNXCSWNQ-PNOGMODKSA-N 0 0 436.599 7.685 50 30 IKEARN CCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000008439671 556175823 /nfs/dbraw/zinc/17/58/23/556175823.db2.gz RQAWSOYWLYUMKE-UHFFFAOYSA-N 0 0 441.681 7.237 50 30 IKEARN CCCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000008440801 556176534 /nfs/dbraw/zinc/17/65/34/556176534.db2.gz CYYVWSFVWZGQGP-NRFANRHFSA-N 0 0 437.517 5.299 50 30 IKEARN COc1ccc(/C=C/C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)cc1OC ZINC000008441977 556177122 /nfs/dbraw/zinc/17/71/22/556177122.db2.gz TVHUKQMPMAEWIL-ACCUITESSA-N 0 0 432.907 5.651 50 30 IKEARN Cc1cccc(Nc2nc(N=NCc3ccc(F)cc3)nc(N3CCC(C)CC3)n2)c1C ZINC000008442991 556177991 /nfs/dbraw/zinc/17/79/91/556177991.db2.gz QYJBGIAESQEYCL-CVKSISIWSA-N 0 0 433.535 5.053 50 30 IKEARN CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000008443849 556178344 /nfs/dbraw/zinc/17/83/44/556178344.db2.gz ZQSRUMGIKOTNIK-AREMUKBSSA-N 0 0 432.564 6.028 50 30 IKEARN COc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC ZINC000008444015 556178687 /nfs/dbraw/zinc/17/86/87/556178687.db2.gz SIGQVFHJILUFKR-BGPOSVGRSA-N 0 0 449.330 5.858 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000008448578 556180745 /nfs/dbraw/zinc/18/07/45/556180745.db2.gz YXTPEHBSPSFMKJ-ZLNRFVROSA-N 0 0 425.488 5.171 50 30 IKEARN C/N=C1/S/C(=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C ZINC000008450476 556181242 /nfs/dbraw/zinc/18/12/42/556181242.db2.gz BFYQUYGGYFENII-VIADFIPNSA-N 0 0 447.604 5.684 50 30 IKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)o1 ZINC000008452577 556183077 /nfs/dbraw/zinc/18/30/77/556183077.db2.gz OXUQISYJXBUFNT-DYEBMTOPSA-N 0 0 435.461 5.097 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccco4)C(=O)O3)cc2)cc1 ZINC000008453806 556184633 /nfs/dbraw/zinc/18/46/33/556184633.db2.gz MLVAAFTVDLTTCG-QOMWVZHYSA-N 0 0 427.544 7.194 50 30 IKEARN Cc1c(/C=C2/S/C(=N\c3ccc(Br)cc3C)NC2=O)c2ccccc2n1C ZINC000008454168 556184972 /nfs/dbraw/zinc/18/49/72/556184972.db2.gz DBVAMRSOMAHRCU-YBFXNURJSA-N 0 0 440.366 5.449 50 30 IKEARN O=C1/C(=C\c2cccc(Cl)c2Cl)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000008456347 556185888 /nfs/dbraw/zinc/18/58/88/556185888.db2.gz UKBNRNSJEYFUED-RTTTWQGVSA-N 0 0 425.340 6.802 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C\C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C ZINC000008456770 556186202 /nfs/dbraw/zinc/18/62/02/556186202.db2.gz RHQRPBLOUIICFI-LFELVLOKSA-N 0 0 445.500 6.169 50 30 IKEARN COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000008456687 556186220 /nfs/dbraw/zinc/18/62/20/556186220.db2.gz QNPMMGIKKSPCBU-FNORWQNLSA-N 0 0 449.551 5.264 50 30 IKEARN C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1(C)C ZINC000008617985 556192953 /nfs/dbraw/zinc/19/29/53/556192953.db2.gz BGECDPQPDUUSHA-FLFQWRMESA-N 0 0 446.956 5.535 50 30 IKEARN COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N\OC(=O)c1ccc(Cl)cc1 ZINC000008637218 556195382 /nfs/dbraw/zinc/19/53/82/556195382.db2.gz CYFCOWCNPQRJMW-HYARGMPZSA-N 0 0 437.970 5.444 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)ccc1Cl ZINC000008715758 556202046 /nfs/dbraw/zinc/20/20/46/556202046.db2.gz FEBHIZUUQWYEBB-XMMPIXPASA-N 0 0 445.946 6.555 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008741464 556206919 /nfs/dbraw/zinc/20/69/19/556206919.db2.gz VXPYLFGBYLCGDV-OAQYLSRUSA-N 0 0 432.545 5.219 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1 ZINC000008743730 556208170 /nfs/dbraw/zinc/20/81/70/556208170.db2.gz LDHOXZFJHVNDOU-HXUWFJFHSA-N 0 0 446.553 5.703 50 30 IKEARN Cc1cccc(Nc2nc3no[nH]c-3nc2=NN=Cc2cccc(Cl)c2Cl)c1C ZINC000008809784 556216667 /nfs/dbraw/zinc/21/66/67/556216667.db2.gz COMNVLNYTAEYJU-LSFURLLWSA-N 0 0 428.283 5.126 50 30 IKEARN Cc1nnc(N=C(Nc2ccccc2)N2N=C(C)S[C@H]2c2cccc3ccccc32)s1 ZINC000008829005 556224809 /nfs/dbraw/zinc/22/48/09/556224809.db2.gz XFVDJYLPGSKDJT-NRFANRHFSA-N 0 0 444.589 6.180 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000008856902 556227715 /nfs/dbraw/zinc/22/77/15/556227715.db2.gz RJURTOCYQLFIPM-GYCJOSAFSA-N 0 0 437.561 5.497 50 30 IKEARN O=S(=O)(c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1)N1CCCCCC1 ZINC000008873719 556230238 /nfs/dbraw/zinc/23/02/38/556230238.db2.gz GEEZGDJNVNWPOH-VFCFBJKWSA-N 0 0 442.584 6.308 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008913920 556231629 /nfs/dbraw/zinc/23/16/29/556231629.db2.gz PXAXTOAIXMWOIW-LJQANCHMSA-N 0 0 438.936 5.703 50 30 IKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000008913998 556232182 /nfs/dbraw/zinc/23/21/82/556232182.db2.gz FVWWBSVRCAEWET-PIKZIKFNSA-N 0 0 438.527 5.616 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000008973178 556237651 /nfs/dbraw/zinc/23/76/51/556237651.db2.gz LGCLOXHLFLSDOV-KOSHJBKYSA-N 0 0 437.926 6.035 50 30 IKEARN CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1 ZINC000008974623 556237973 /nfs/dbraw/zinc/23/79/73/556237973.db2.gz RKAPRONBLMDNBI-VKGTZQKMSA-N 0 0 440.543 6.073 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000009007666 556239960 /nfs/dbraw/zinc/23/99/60/556239960.db2.gz PCRKUKVZFKDURX-HXUWFJFHSA-N 0 0 434.289 5.232 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000009007926 556240197 /nfs/dbraw/zinc/24/01/97/556240197.db2.gz CFXRUWIAACZKTI-RUZDIDTESA-N 0 0 434.536 5.257 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009008063 556240288 /nfs/dbraw/zinc/24/02/88/556240288.db2.gz HPKWGWGFCANSHR-RUZDIDTESA-N 0 0 447.535 5.784 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000009007925 556240292 /nfs/dbraw/zinc/24/02/92/556240292.db2.gz CFXRUWIAACZKTI-VWLOTQADSA-N 0 0 434.536 5.257 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009019285 556241313 /nfs/dbraw/zinc/24/13/13/556241313.db2.gz JGSXFYJLSDWPHZ-OMHSXHNCSA-N 0 0 440.455 5.086 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C ZINC000009042852 556242352 /nfs/dbraw/zinc/24/23/52/556242352.db2.gz BVALXJPFVYPUFN-QFIPXVFZSA-N 0 0 446.572 5.975 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000009046140 556242788 /nfs/dbraw/zinc/24/27/88/556242788.db2.gz MZMZUYCKJBITOA-VWLOTQADSA-N 0 0 436.983 6.673 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 ZINC000009067900 556244923 /nfs/dbraw/zinc/24/49/23/556244923.db2.gz CCIVEXPTYGLIBW-SANMLTNESA-N 0 0 432.564 6.116 50 30 biogenic IKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000009089009 556245773 /nfs/dbraw/zinc/24/57/73/556245773.db2.gz PTGBUASYOOSAHH-JOCHJYFZSA-N 0 0 449.890 5.140 50 30 IKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000009108588 556247073 /nfs/dbraw/zinc/24/70/73/556247073.db2.gz IVLPLGXVTUYFOW-ZTOMLWHTSA-N 0 0 438.571 6.479 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009123184 556248186 /nfs/dbraw/zinc/24/81/86/556248186.db2.gz YSXMGWOQEKTMTN-DEOSSOPVSA-N 0 0 443.499 5.094 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009261275 556268976 /nfs/dbraw/zinc/26/89/76/556268976.db2.gz PKOYJLPSDKGFEU-UDWIEESQSA-N 0 0 425.916 5.778 50 30 IKEARN C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000009261551 556269191 /nfs/dbraw/zinc/26/91/91/556269191.db2.gz GLMWMVMHVCLXCJ-KWPJTZOTSA-N 0 0 442.540 5.102 50 30 IKEARN Cc1cccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)c1 ZINC000009261512 556269233 /nfs/dbraw/zinc/26/92/33/556269233.db2.gz CBSRRWYSANEKAR-LDADJPATSA-N 0 0 426.950 6.284 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1 ZINC000009264174 556270076 /nfs/dbraw/zinc/27/00/76/556270076.db2.gz JPBLRQVNZTYZAI-RUZDIDTESA-N 0 0 443.934 6.552 50 30 IKEARN COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000009264182 556270113 /nfs/dbraw/zinc/27/01/13/556270113.db2.gz GXZVAFZNBOLXDS-MHZLTWQESA-N 0 0 438.527 5.824 50 30 IKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1 ZINC000009264159 556270161 /nfs/dbraw/zinc/27/01/61/556270161.db2.gz ODPHRYGXPPCFJO-VWLOTQADSA-N 0 0 428.919 6.161 50 30 IKEARN CCCNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009264281 556270344 /nfs/dbraw/zinc/27/03/44/556270344.db2.gz IXTIJJBSFVIQTD-NIYFSFCBSA-N 0 0 441.531 5.773 50 30 IKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O ZINC000009264312 556270363 /nfs/dbraw/zinc/27/03/63/556270363.db2.gz GHIOUXPTYCHIBO-QUGAMOGWSA-N 0 0 428.488 5.209 50 30 IKEARN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000009264373 556270391 /nfs/dbraw/zinc/27/03/91/556270391.db2.gz IZHRCDYDYOIOKV-IVCQMTBJSA-N 0 0 440.455 5.680 50 30 IKEARN COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000009264183 556270453 /nfs/dbraw/zinc/27/04/53/556270453.db2.gz GXZVAFZNBOLXDS-HHHXNRCGSA-N 0 0 438.527 5.824 50 30 IKEARN O=C1c2ccccc2C2=C1C(c1cc3c(cc1[N+](=O)[O-])OCO3)Sc1ccccc1N2 ZINC000009291133 556273926 /nfs/dbraw/zinc/27/39/26/556273926.db2.gz ZCHQGVZQXKGEJO-QHCPKHFHSA-N 0 0 430.441 5.190 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009331518 556282736 /nfs/dbraw/zinc/28/27/36/556282736.db2.gz NVADBJPISFMYEC-HXUWFJFHSA-N 0 0 434.835 5.031 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(-c2ccccc2)cc1 ZINC000009331651 556283177 /nfs/dbraw/zinc/28/31/77/556283177.db2.gz QWNPCODHPVHDLX-ZMOGYAJESA-N 0 0 425.344 6.090 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000009363624 556285695 /nfs/dbraw/zinc/28/56/95/556285695.db2.gz SVVJYRCQROMLLJ-HXUWFJFHSA-N 0 0 434.289 5.232 50 30 IKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000009374793 556286795 /nfs/dbraw/zinc/28/67/95/556286795.db2.gz PYQIFMUZXFIOCF-XMMPIXPASA-N 0 0 442.515 5.039 50 30 IKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009375076 556286798 /nfs/dbraw/zinc/28/67/98/556286798.db2.gz DPXYSGGAJFIYSL-OAQYLSRUSA-N 0 0 441.955 5.252 50 30 IKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC000009459741 556293212 /nfs/dbraw/zinc/29/32/12/556293212.db2.gz IVLPLGXVTUYFOW-KPURRNSFSA-N 0 0 438.571 6.479 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCCC1)[C@@H]2c1ccco1 ZINC000009504740 556295911 /nfs/dbraw/zinc/29/59/11/556295911.db2.gz NMTCAHBUBMEBCI-AREMUKBSSA-N 0 0 447.579 5.345 50 30 IKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12 ZINC000009546495 556297360 /nfs/dbraw/zinc/29/73/60/556297360.db2.gz BZZXKWMOGQKOBW-NPMXOYFQSA-N 0 0 431.948 6.167 50 30 IKEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3F)C12 ZINC000009546527 556297381 /nfs/dbraw/zinc/29/73/81/556297381.db2.gz ASXJGZULURUIJB-IVCQMTBJSA-N 0 0 443.909 6.245 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccc(Cl)c3)C12 ZINC000009546524 556297399 /nfs/dbraw/zinc/29/73/99/556297399.db2.gz LDLXGEDURBQYLF-WNSKOXEYSA-N 0 0 431.948 6.167 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@@H]2c1ccco1 ZINC000009556393 556298058 /nfs/dbraw/zinc/29/80/58/556298058.db2.gz PKBRESAPLDCYQM-RPBOFIJWSA-N 0 0 440.499 5.765 50 30 IKEARN O=c1oc2ccc(Br)cc2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000013739373 556298135 /nfs/dbraw/zinc/29/81/35/556298135.db2.gz OZJRFEAUNYUULH-UFFVCSGVSA-N 0 0 426.295 5.125 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000009559912 556298893 /nfs/dbraw/zinc/29/88/93/556298893.db2.gz HRGKDTWDANVPNH-LSDHHAIUSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000009559910 556298932 /nfs/dbraw/zinc/29/89/32/556298932.db2.gz HRGKDTWDANVPNH-GJZGRUSLSA-N 0 0 446.330 5.015 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000009560021 556299170 /nfs/dbraw/zinc/29/91/70/556299170.db2.gz XNQSIZHVUSNFFG-HIFRSBDPSA-N 0 0 446.330 5.015 50 30 IKEARN O=C1C[C@@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560029 556299213 /nfs/dbraw/zinc/29/92/13/556299213.db2.gz ZUWADTXKBCRFAB-CJNGLKHVSA-N 0 0 430.729 5.107 50 30 IKEARN O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560065 556299508 /nfs/dbraw/zinc/29/95/08/556299508.db2.gz LWURXLAWGAYRRJ-GCJKJVERSA-N 0 0 443.930 6.137 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000009680429 556306143 /nfs/dbraw/zinc/30/61/43/556306143.db2.gz DVWBBQPDRSRDCA-QHCPKHFHSA-N 0 0 429.347 6.300 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 ZINC000009762894 556308598 /nfs/dbraw/zinc/30/85/98/556308598.db2.gz DUNRWRKRPPMHOD-HSZRJFAPSA-N 0 0 439.353 5.756 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 ZINC000009762893 556308673 /nfs/dbraw/zinc/30/86/73/556308673.db2.gz DUNRWRKRPPMHOD-QHCPKHFHSA-N 0 0 439.353 5.756 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc1 ZINC000009805262 556308963 /nfs/dbraw/zinc/30/89/63/556308963.db2.gz DLMCFGIKAGDIIT-PBBNMVCDSA-N 0 0 438.571 6.762 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1 ZINC000009805458 556309335 /nfs/dbraw/zinc/30/93/35/556309335.db2.gz VDJBKAVGXYKTKC-VULFUBBASA-N 0 0 433.508 5.983 50 30 IKEARN CN(C)c1ccc([C@@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861330 556314663 /nfs/dbraw/zinc/31/46/63/556314663.db2.gz DVWAKHSJMLPFLW-HHHXNRCGSA-N 0 0 437.543 5.573 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2Cl)nc1 ZINC000009861130 556314680 /nfs/dbraw/zinc/31/46/80/556314680.db2.gz UDMMNQOSUANUMY-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl ZINC000009925840 556316654 /nfs/dbraw/zinc/31/66/54/556316654.db2.gz NQRMWFSMERYDMX-AFUMVMLFSA-N 0 0 433.920 6.129 50 30 IKEARN COc1ccc(CC(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 ZINC000009971383 556319548 /nfs/dbraw/zinc/31/95/48/556319548.db2.gz XDXOHXLWLKACDI-NRFANRHFSA-N 0 0 439.342 6.147 50 30 IKEARN CC1(C)CC(=O)C([C@@H]2c3cc(Cl)cc(Cl)c3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000009975019 556319785 /nfs/dbraw/zinc/31/97/85/556319785.db2.gz ORJOZNAROYTULK-SFHVURJKSA-N 0 0 435.347 6.314 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC ZINC000009972235 556319850 /nfs/dbraw/zinc/31/98/50/556319850.db2.gz VOONULXUNBRPOD-SGANQWHYSA-N 0 0 446.503 5.285 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013762 556322364 /nfs/dbraw/zinc/32/23/64/556322364.db2.gz ZYXZJJXBBBQEEO-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013729 556322381 /nfs/dbraw/zinc/32/23/81/556322381.db2.gz IKGZULVYGBZODF-DEOSSOPVSA-N 0 0 447.554 5.134 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3/C=C/c3ccccc3)C2)cc1 ZINC000010035374 556322987 /nfs/dbraw/zinc/32/29/87/556322987.db2.gz LFSSYFWGTHSGLA-DWEGMBIRSA-N 0 0 447.538 6.126 50 30 IKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000010035318 556323171 /nfs/dbraw/zinc/32/31/71/556323171.db2.gz KDUKQIGZEHYLQG-IZHWHUGBSA-N 0 0 432.907 6.000 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Oc4ccccc4)c3)C12 ZINC000010059709 556324062 /nfs/dbraw/zinc/32/40/62/556324062.db2.gz TZGRFSWZCQAQBE-NDEPHWFRSA-N 0 0 433.532 7.345 50 30 IKEARN Cc1cc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000013881092 556325962 /nfs/dbraw/zinc/32/59/62/556325962.db2.gz BPRGRPBFRSPLDW-UUYOSTAYSA-N 0 0 446.532 5.511 50 30 IKEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 ZINC000013881563 556326326 /nfs/dbraw/zinc/32/63/26/556326326.db2.gz WDDOOQVKKGTHIE-PDGQHHTCSA-N 0 0 432.530 5.507 50 30 IKEARN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1 ZINC000013881567 556326338 /nfs/dbraw/zinc/32/63/38/556326338.db2.gz KZIINDMBOKQGRM-UNOMPAQXSA-N 0 0 446.557 5.816 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)s1 ZINC000013893777 556327881 /nfs/dbraw/zinc/32/78/81/556327881.db2.gz JFKLCDVPSGHJRM-QFIPXVFZSA-N 0 0 438.390 6.973 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccccc1 ZINC000013894311 556328196 /nfs/dbraw/zinc/32/81/96/556328196.db2.gz IDPKXTSIWGQAMZ-WGOQTCKBSA-N 0 0 429.545 6.152 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)ccc1OC(C)=O ZINC000013914807 556332205 /nfs/dbraw/zinc/33/22/05/556332205.db2.gz NUZZFSGDPCXNQZ-HYARGMPZSA-N 0 0 432.501 5.055 50 30 IKEARN CCOc1ccc2c(c1)S/C(=C\N/N=C/c1ccc(OCc3ccccc3)cc1)N2C ZINC000013939841 556337342 /nfs/dbraw/zinc/33/73/42/556337342.db2.gz OAKMWEHGFGSNHW-WUDIEWAJSA-N 0 0 431.561 5.629 50 30 IKEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000013943560 556341001 /nfs/dbraw/zinc/34/10/01/556341001.db2.gz LWDUSPVLVHAFCZ-BOPFTXTBSA-N 0 0 436.493 5.338 50 30 IKEARN CNc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)cc1 ZINC000032816938 556393068 /nfs/dbraw/zinc/39/30/68/556393068.db2.gz UZPHVHRVKJFAAY-OAQYLSRUSA-N 0 0 433.943 5.298 50 30 IKEARN Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)Nc1ccc(F)cc1 ZINC000012340425 556403372 /nfs/dbraw/zinc/40/33/72/556403372.db2.gz FIEPNTXWDAOXCG-UHFFFAOYSA-N 0 0 446.326 5.908 50 30 IKEARN O=C(ONC=Nc1ncc(-c2ccc(Br)s2)s1)c1ccc(Cl)cc1 ZINC000012370120 556403689 /nfs/dbraw/zinc/40/36/89/556403689.db2.gz AWAKSRMSKOEJQG-UHFFFAOYSA-N 0 0 442.747 5.500 50 30 IKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCc1cccs1 ZINC000032624514 556411441 /nfs/dbraw/zinc/41/14/41/556411441.db2.gz KIEHKSGTPQOZGQ-UHFFFAOYSA-N 0 0 435.936 6.162 50 30 IKEARN Cc1ccsc1[C@H]1c2c(C)nn(-c3cccc(Cl)c3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000014361055 556414757 /nfs/dbraw/zinc/41/47/57/556414757.db2.gz CTAKUWBJEVMYHL-NRFANRHFSA-N 0 0 437.996 6.405 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1cccs1 ZINC000014606472 556429766 /nfs/dbraw/zinc/42/97/66/556429766.db2.gz QOPUNIBTSAKGCW-RUZDIDTESA-N 0 0 449.620 5.423 50 30 IKEARN COc1cccc(/C=C2/S/C(=N\c3cc(C)ccc3C)NC2=O)c1OCc1ccccc1 ZINC000027904228 556434824 /nfs/dbraw/zinc/43/48/24/556434824.db2.gz AGSZEXNLOBCDSE-HZHRSRAPSA-N 0 0 444.556 5.783 50 30 IKEARN CCOc1ccc(Br)cc1/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000015015819 556485174 /nfs/dbraw/zinc/48/51/74/556485174.db2.gz GIXPQIOBZPHESM-SXGWCWSVSA-N 0 0 437.746 5.393 50 30 IKEARN CCCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 ZINC000015016480 556485736 /nfs/dbraw/zinc/48/57/36/556485736.db2.gz ZWLSZZMDIAAWDV-ATVHPVEESA-N 0 0 448.407 6.142 50 30 IKEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(OC2CCCC2)c1 ZINC000015016386 556485808 /nfs/dbraw/zinc/48/58/08/556485808.db2.gz YFKHYGLIMXDITI-UNOMPAQXSA-N 0 0 432.467 5.918 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000015018514 556487072 /nfs/dbraw/zinc/48/70/72/556487072.db2.gz VXKPTNQQVWLWBT-CENQWQLUSA-N 0 0 446.528 5.521 50 30 IKEARN CC(C)N1c2ccccc2/C(=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)C1=O ZINC000015019367 556487724 /nfs/dbraw/zinc/48/77/24/556487724.db2.gz JEYCGKAETNYKFZ-HPNDGRJYSA-N 0 0 447.560 5.026 50 30 IKEARN O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000013532463 556512622 /nfs/dbraw/zinc/51/26/22/556512622.db2.gz PDVGYBUXCSPYFL-QLWRNEEHSA-N 0 0 443.930 5.303 50 30 IKEARN O=C(Cn1cc(/C=C2/Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000015230451 556512967 /nfs/dbraw/zinc/51/29/67/556512967.db2.gz NHFOAOTXEVMVEZ-YDZHTSKRSA-N 0 0 428.488 5.749 50 30 IKEARN CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Br)cc1 ZINC000015231470 556513014 /nfs/dbraw/zinc/51/30/14/556513014.db2.gz JOUAWDKRAPQDIH-DEDYPNTBSA-N 0 0 449.344 6.249 50 30 IKEARN COCc1cc(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N=[N+]=[N-])c21 ZINC000015239991 556513280 /nfs/dbraw/zinc/51/32/80/556513280.db2.gz FZSCFTQDYWPPFB-UHFFFAOYSA-N 0 0 429.505 6.671 50 30 IKEARN COc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1 ZINC000003081522 556518551 /nfs/dbraw/zinc/51/85/51/556518551.db2.gz ILOPUQYPAWQKGW-RMQWKZBYSA-N 0 0 436.305 5.827 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000003082722 556518681 /nfs/dbraw/zinc/51/86/81/556518681.db2.gz WPBUGVVFDCKJKX-BHGWPJFGSA-N 0 0 449.677 6.525 50 30 IKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(C)c1Cl ZINC000003085039 556518952 /nfs/dbraw/zinc/51/89/52/556518952.db2.gz HQVLTBGGPRFZOU-NSKAYECMSA-N 0 0 445.733 7.528 50 30 IKEARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)cc1 ZINC000003089277 556519295 /nfs/dbraw/zinc/51/92/95/556519295.db2.gz CYFFTDVXRPMTAM-UHFFFAOYSA-N 0 0 429.719 5.890 50 30 IKEARN O=C(Oc1ccccc1/C=N/c1cccc2ccccc21)c1sc2ccccc2c1Cl ZINC000003095192 556519673 /nfs/dbraw/zinc/51/96/73/556519673.db2.gz WPTJANLCUFAVQJ-LQKURTRISA-N 0 0 441.939 7.678 50 30 IKEARN Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 ZINC000003095302 556519677 /nfs/dbraw/zinc/51/96/77/556519677.db2.gz XOQBPIUIDJODPO-BRJLIKDPSA-N 0 0 436.227 6.716 50 30 IKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)nc2c1 ZINC000003087356 556519679 /nfs/dbraw/zinc/51/96/79/556519679.db2.gz KWGMAMGXLJLIDC-BRJLIKDPSA-N 0 0 435.321 6.639 50 30 IKEARN CN(/N=C\c1ccccc1)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000032496239 556538054 /nfs/dbraw/zinc/53/80/54/556538054.db2.gz OIXXOTGEBALDMB-ONUIUJJFSA-N 0 0 443.348 6.043 50 30 IKEARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032905221 556547806 /nfs/dbraw/zinc/54/78/06/556547806.db2.gz CSYZQTNJHSSNIL-UHFFFAOYSA-N 0 0 434.495 5.078 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000015836437 556555569 /nfs/dbraw/zinc/55/55/69/556555569.db2.gz XDBFHSYJDSNEQP-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN O=C(C=CNc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000015836417 556555599 /nfs/dbraw/zinc/55/55/99/556555599.db2.gz OXDWGZIBHOXAEB-SEYXRHQNSA-N 0 0 447.343 5.603 50 30 IKEARN N#Cc1ccc(Cc2cnc(NC(=O)COC(c3ccccc3)c3ccccc3)s2)cc1 ZINC000032907003 556560267 /nfs/dbraw/zinc/56/02/67/556560267.db2.gz QWQNYFXAMTYCHY-UHFFFAOYSA-N 0 0 439.540 5.350 50 30 IKEARN O=C1c2cc(Cl)ccc2SC/C1=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000033365075 556563114 /nfs/dbraw/zinc/56/31/14/556563114.db2.gz DQIAQQOZLPCXNR-JYRVWZFOSA-N 0 0 436.907 7.459 50 30 IKEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000015911967 556563168 /nfs/dbraw/zinc/56/31/68/556563168.db2.gz LPROPTXJOKMABJ-HSZRJFAPSA-N 0 0 432.907 5.430 50 30 IKEARN CCOc1ccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2Cl)cc1 ZINC000032907700 556563313 /nfs/dbraw/zinc/56/33/13/556563313.db2.gz QOMCYXRCAPANGB-UHFFFAOYSA-N 0 0 433.924 5.404 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C ZINC000015930050 556565058 /nfs/dbraw/zinc/56/50/58/556565058.db2.gz GLNJMEZRLIUPJR-QUSCMMCHSA-N 0 0 432.501 5.229 50 30 IKEARN Cc1ccc(NC(=NNc2ccc([N+](=O)[O-])cc2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000015937638 556566306 /nfs/dbraw/zinc/56/63/06/556566306.db2.gz LJEBYCSLFNZBGO-UHFFFAOYSA-N 0 0 434.433 5.551 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C(C)=O)cc1 ZINC000015945273 556566636 /nfs/dbraw/zinc/56/66/36/556566636.db2.gz LLRYHZAZHYKABI-ZMPCKTLKSA-N 0 0 437.590 5.663 50 30 IKEARN O=[N+]([O-])c1ccc(COc2cccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)c2)cc1 ZINC000015945076 556566659 /nfs/dbraw/zinc/56/66/59/556566659.db2.gz BTSCXLVQNOJKAZ-JQAMDZJQSA-N 0 0 437.324 5.315 50 30 IKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)cc1OC ZINC000015945641 556566876 /nfs/dbraw/zinc/56/68/76/556566876.db2.gz PLJVIQLKUKORMK-DHRITJCHSA-N 0 0 440.952 5.910 50 30 IKEARN COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccc(OC)c3)sc3c2CCCC3)cc1 ZINC000015945836 556567110 /nfs/dbraw/zinc/56/71/10/556567110.db2.gz BBKFIXLRMXOYLI-CVKSISIWSA-N 0 0 448.544 5.425 50 30 IKEARN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(F)cc2)CCCC3)c(OC)c1 ZINC000015946403 556567321 /nfs/dbraw/zinc/56/73/21/556567321.db2.gz KZHDBPLBMFTQDT-VULFUBBASA-N 0 0 438.524 5.786 50 30 IKEARN O=C(Nc1cccc2ccccc21)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2 ZINC000015946419 556567373 /nfs/dbraw/zinc/56/73/73/556567373.db2.gz KCAQPYHZYTULAT-LQKURTRISA-N 0 0 428.532 6.922 50 30 IKEARN Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946469 556567393 /nfs/dbraw/zinc/56/73/93/556567393.db2.gz ZJIQKEVCHBYUGA-ZNUIVASASA-N 0 0 448.607 7.350 50 30 IKEARN N#C[C@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 ZINC000015981205 556570870 /nfs/dbraw/zinc/57/08/70/556570870.db2.gz VYDHBACIMLOFSS-SANMLTNESA-N 0 0 429.350 7.159 50 30 IKEARN Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2/C=N/c2ccc(N(C)C)cc2)cc1 ZINC000015986516 556571226 /nfs/dbraw/zinc/57/12/26/556571226.db2.gz IAVGIVYSGXFYDR-WPWMEQJKSA-N 0 0 425.488 5.686 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ncccc4N32)c(C)c1 ZINC000016034309 556577354 /nfs/dbraw/zinc/57/73/54/556577354.db2.gz HJULPICYDRMERV-NXCFDTQHSA-N 0 0 448.501 5.122 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ncccc4N32)c(C)c1 ZINC000016034311 556577389 /nfs/dbraw/zinc/57/73/89/556577389.db2.gz HJULPICYDRMERV-GSDHBNRESA-N 0 0 448.501 5.122 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)c(C)c1 ZINC000016034359 556577417 /nfs/dbraw/zinc/57/74/17/556577417.db2.gz WKOKHHOWWHAYEC-SDHOMARFSA-N 0 0 435.552 5.649 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 ZINC000016034236 556577420 /nfs/dbraw/zinc/57/74/20/556577420.db2.gz OXCIYJZVMDHYKH-RBZQAINGSA-N 0 0 436.902 5.019 50 30 IKEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000034688512 556580923 /nfs/dbraw/zinc/58/09/23/556580923.db2.gz AWIUKRRXXLKOBR-OTZYPNAKSA-N 0 0 448.910 5.015 50 30 IKEARN O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21 ZINC000016156395 556585787 /nfs/dbraw/zinc/58/57/87/556585787.db2.gz FQTBATMWPPXGOH-UUIZBEJXSA-N 0 0 433.507 5.247 50 30 IKEARN CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000016161392 556586296 /nfs/dbraw/zinc/58/62/96/556586296.db2.gz CGZXFUMXAHIPDM-NDENLUEZSA-N 0 0 443.355 6.707 50 30 IKEARN CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)S/C1=N/c1cccc2ccccc21 ZINC000016189438 556588481 /nfs/dbraw/zinc/58/84/81/556588481.db2.gz BQLAPSVLVYMZJW-ZKZPFDSASA-N 0 0 439.540 5.583 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c1C ZINC000032971617 556589260 /nfs/dbraw/zinc/58/92/60/556589260.db2.gz VNPKFWPOMNAIPX-UHFFFAOYSA-N 0 0 431.584 5.215 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)c1C ZINC000032971659 556589600 /nfs/dbraw/zinc/58/96/00/556589600.db2.gz ZYPKGSWOEGHCFN-UHFFFAOYSA-N 0 0 449.574 5.355 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2C)c1C ZINC000032971759 556589610 /nfs/dbraw/zinc/58/96/10/556589610.db2.gz SCQYUNJKVADRGD-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c1C ZINC000032972025 556589865 /nfs/dbraw/zinc/58/98/65/556589865.db2.gz FFMCGBNKNLOXLS-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(Cl)cc2C)c1C ZINC000032972115 556590057 /nfs/dbraw/zinc/59/00/57/556590057.db2.gz PIZDEQXNLRFMJD-UHFFFAOYSA-N 0 0 441.938 5.019 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(OCC)cc2)c(C)n1 ZINC000032972764 556591118 /nfs/dbraw/zinc/59/11/18/556591118.db2.gz QEOAJPSFLOSQIU-UHFFFAOYSA-N 0 0 447.583 5.015 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccccc2OCC)c(C)n1 ZINC000032972778 556591497 /nfs/dbraw/zinc/59/14/97/556591497.db2.gz VAEKPQKVHCCFML-UHFFFAOYSA-N 0 0 447.583 5.015 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2cccc(Cl)c2C)c(C)n1 ZINC000032972846 556591519 /nfs/dbraw/zinc/59/15/19/556591519.db2.gz FKHMUZYRQWENAY-UHFFFAOYSA-N 0 0 441.938 5.101 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)ccc2C)c(C)n1 ZINC000032972867 556591706 /nfs/dbraw/zinc/59/17/06/556591706.db2.gz DKKAUQWBYNBETQ-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c(C)n1 ZINC000032973013 556591982 /nfs/dbraw/zinc/59/19/82/556591982.db2.gz JTBSHGQHSYSOFT-UHFFFAOYSA-N 0 0 431.584 5.233 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccccc2CC)c(C)n1 ZINC000032972979 556591993 /nfs/dbraw/zinc/59/19/93/556591993.db2.gz GCCGCXMUYDPMCG-UHFFFAOYSA-N 0 0 431.584 5.179 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccccc2CC)c(C)n1 ZINC000032972975 556592020 /nfs/dbraw/zinc/59/20/20/556592020.db2.gz VJKOBMVUMRJRGT-UHFFFAOYSA-N 0 0 431.584 5.179 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cccc(Cl)c2)c(C)n1 ZINC000032972929 556592606 /nfs/dbraw/zinc/59/26/06/556592606.db2.gz OWUVCSUHZYZYSN-UHFFFAOYSA-N 0 0 441.938 5.101 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(Cl)c2)c(C)n1 ZINC000032972928 556592693 /nfs/dbraw/zinc/59/26/93/556592693.db2.gz DRMQAGSJKOGZLG-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(Cl)cc2C)c(C)n1 ZINC000032973122 556593193 /nfs/dbraw/zinc/59/31/93/556593193.db2.gz AITSCUVZAQVFHI-UHFFFAOYSA-N 0 0 441.938 5.101 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c1C ZINC000032973288 556593672 /nfs/dbraw/zinc/59/36/72/556593672.db2.gz MRZKIIRYDFUAJQ-UHFFFAOYSA-N 0 0 449.574 5.223 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1 ZINC000016294212 556598910 /nfs/dbraw/zinc/59/89/10/556598910.db2.gz RYMSTZOJZHSMKA-OAQYLSRUSA-N 0 0 444.428 5.451 50 30 IKEARN Cc1ccccc1S(=O)(=O)N=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000016319332 556600119 /nfs/dbraw/zinc/60/01/19/556600119.db2.gz BBUCUPOEXUDFOO-UHFFFAOYSA-N 0 0 434.439 5.141 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O ZINC000032984243 556603588 /nfs/dbraw/zinc/60/35/88/556603588.db2.gz CCHWZHHYSAGSNN-UHFFFAOYSA-N 0 0 430.312 5.643 50 30 IKEARN COc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984415 556603668 /nfs/dbraw/zinc/60/36/68/556603668.db2.gz QOSPNDYUXUXLCM-UHFFFAOYSA-N 0 0 437.492 5.101 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984294 556604024 /nfs/dbraw/zinc/60/40/24/556604024.db2.gz LKMHBWYSBBAYCP-UHFFFAOYSA-N 0 0 433.529 5.352 50 30 IKEARN CCCCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984322 556604052 /nfs/dbraw/zinc/60/40/52/556604052.db2.gz YVPJTMMOKMCAHS-UHFFFAOYSA-N 0 0 435.520 5.818 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O ZINC000032984402 556604216 /nfs/dbraw/zinc/60/42/16/556604216.db2.gz DEQVUTZBCFGVJT-UHFFFAOYSA-N 0 0 448.302 5.782 50 30 IKEARN Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984385 556604232 /nfs/dbraw/zinc/60/42/32/556604232.db2.gz RTQNUFLFSSFFMC-UHFFFAOYSA-N 0 0 427.884 5.437 50 30 IKEARN CCc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984387 556604248 /nfs/dbraw/zinc/60/42/48/556604248.db2.gz RVVGQYWXSIWWRL-UHFFFAOYSA-N 0 0 441.911 5.691 50 30 IKEARN CCOc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O ZINC000016393243 556604768 /nfs/dbraw/zinc/60/47/68/556604768.db2.gz SUMCZHBAUZFVPT-VWLOTQADSA-N 0 0 427.500 5.728 50 30 IKEARN Fc1ccccc1Cn1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc21 ZINC000016450199 556609528 /nfs/dbraw/zinc/60/95/28/556609528.db2.gz OCLZJAXSUFFYAO-GESPGMLMSA-N 0 0 433.355 5.970 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000032916750 556615653 /nfs/dbraw/zinc/61/56/53/556615653.db2.gz LTXNXMNFENGWCH-LPYMAVHISA-N 0 0 435.980 6.256 50 30 IKEARN CCCCCOc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000016663461 556621274 /nfs/dbraw/zinc/62/12/74/556621274.db2.gz CROQEAYCVFSDRH-VFCFBJKWSA-N 0 0 437.547 6.221 50 30 IKEARN COc1ccc(OCC(=O)Nc2ccc(C(=O)/C=C\c3ccc(SC)cc3)cc2)cc1 ZINC000033694115 556622588 /nfs/dbraw/zinc/62/25/88/556622588.db2.gz WKYOUHBZULHIMX-BNCCVWRVSA-N 0 0 433.529 5.331 50 30 IKEARN CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1 ZINC000005030922 556623304 /nfs/dbraw/zinc/62/33/04/556623304.db2.gz KSYANNGOWZDSSO-SANMLTNESA-N 0 0 433.596 6.077 50 30 IKEARN Cc1ccc(-c2nc(N=NCc3ccccc3)sc2NC(=O)Cc2ccccc2)cc1 ZINC000016753103 556638107 /nfs/dbraw/zinc/63/81/07/556638107.db2.gz JBTXPTNPQQMLMY-YZSQISJMSA-N 0 0 426.545 5.746 50 30 IKEARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807390 556644430 /nfs/dbraw/zinc/64/44/30/556644430.db2.gz QTVGNHNGDIGMKF-LJQANCHMSA-N 0 0 437.609 5.596 50 30 IKEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000016807383 556644508 /nfs/dbraw/zinc/64/45/08/556644508.db2.gz VAEOSPLUXZLREG-MRXNPFEDSA-N 0 0 429.973 5.124 50 30 IKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017041237 556653943 /nfs/dbraw/zinc/65/39/43/556653943.db2.gz HAQHFPKDKNJNHC-HXUWFJFHSA-N 0 0 447.535 5.487 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000017043881 556654030 /nfs/dbraw/zinc/65/40/30/556654030.db2.gz XXOXHKPAFDFNLX-KPURRNSFSA-N 0 0 436.555 6.306 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000017043877 556654119 /nfs/dbraw/zinc/65/41/19/556654119.db2.gz XXOXHKPAFDFNLX-PZGXJGMVSA-N 0 0 436.555 6.306 50 30 IKEARN CCCNC(=O)c1ccsc1/N=C/c1cc(Br)ccc1OCCC(C)C ZINC000017101239 556665956 /nfs/dbraw/zinc/66/59/56/556665956.db2.gz KZVWVXWCPKWMCT-YDZHTSKRSA-N 0 0 437.403 5.826 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000017163301 556670836 /nfs/dbraw/zinc/67/08/36/556670836.db2.gz VUJKUSLQOGJVTJ-RUZDIDTESA-N 0 0 447.535 5.784 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2CC)N(CC)C1=O ZINC000017167085 556671216 /nfs/dbraw/zinc/67/12/16/556671216.db2.gz UCDIRXNTFIAGTA-IXTCTEKTSA-N 0 0 444.600 6.815 50 30 IKEARN O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1ccc(Br)cc1 ZINC000017179842 556671743 /nfs/dbraw/zinc/67/17/43/556671743.db2.gz CFDIVWHVFIILTB-CLCOLTQESA-N 0 0 445.276 5.047 50 30 IKEARN COc1ccc(/N=C(/N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1 ZINC000017186158 556672033 /nfs/dbraw/zinc/67/20/33/556672033.db2.gz STMWIRUKXDCINS-VHXPQNKSSA-N 0 0 432.549 5.334 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1F ZINC000011914358 556673828 /nfs/dbraw/zinc/67/38/28/556673828.db2.gz ZDZRPDQAASTLEJ-QFIPXVFZSA-N 0 0 425.500 5.239 50 30 IKEARN CCN(Cc1ccc(C#N)cc1F)Cn1nc(Nc2ccc(C)c(C)c2)sc1=S ZINC000032935415 556678140 /nfs/dbraw/zinc/67/81/40/556678140.db2.gz DBECQIOQVRLLAQ-UHFFFAOYSA-N 0 0 427.574 5.525 50 30 IKEARN Cc1ccc2c(Cl)cc(Cl)c(OC/C(=N/c3ccccc3)Nc3ccccc3)c2n1 ZINC000013524563 556678145 /nfs/dbraw/zinc/67/81/45/556678145.db2.gz DVFIYRYYIFQQHX-UHFFFAOYSA-N 0 0 436.342 7.071 50 30 IKEARN Cc1ccccc1OCCSc1nc(-c2ccccc2Cl)c2c(c1C#N)CCCC2 ZINC000013524504 556678158 /nfs/dbraw/zinc/67/81/58/556678158.db2.gz WWGPSTWYSPSANR-UHFFFAOYSA-N 0 0 434.992 6.632 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1 ZINC000017783296 556679276 /nfs/dbraw/zinc/67/92/76/556679276.db2.gz GFBWHKMHZFPNDT-OYHNWAKOSA-N 0 0 427.591 5.431 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC ZINC000017821568 556679648 /nfs/dbraw/zinc/67/96/48/556679648.db2.gz QSWKHWCARMUOIP-KKSFZXQISA-N 0 0 439.602 5.313 50 30 IKEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc(Br)cc3)[C@@H]1CC2 ZINC000018029681 556682008 /nfs/dbraw/zinc/68/20/08/556682008.db2.gz WORYLAZEPKLIAL-BUSFYLHUSA-N 0 0 439.353 5.274 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000018059796 556682415 /nfs/dbraw/zinc/68/24/15/556682415.db2.gz RYVDBLNLUOGLOD-OYHNWAKOSA-N 0 0 427.887 5.628 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000018068182 556682794 /nfs/dbraw/zinc/68/27/94/556682794.db2.gz RFGAFOURCLUOMA-NFQMXDRXSA-N 0 0 442.946 6.261 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 ZINC000018106879 556684116 /nfs/dbraw/zinc/68/41/16/556684116.db2.gz WDWAQXJHXSWBCK-PPHZAIPVSA-N 0 0 426.516 5.683 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000018125799 556684395 /nfs/dbraw/zinc/68/43/95/556684395.db2.gz RYVDBLNLUOGLOD-IVZQSRNASA-N 0 0 427.887 5.628 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccco2)cc1 ZINC000018130683 556684399 /nfs/dbraw/zinc/68/43/99/556684399.db2.gz BFVILGZACDUFHH-HRFSGMKKSA-N 0 0 438.527 5.899 50 30 IKEARN Cc1nn(-c2ccccn2)c2c1C(=Nc1ccc(C)cc1)C(=CNc1ccc(C)cc1)CC2 ZINC000018140210 556684672 /nfs/dbraw/zinc/68/46/72/556684672.db2.gz PUPPBZVRWXBMAI-MPIXVDDRSA-N 0 0 433.559 6.256 50 30 IKEARN Cc1cc(C)nc(NC(=NC(=O)c2ccccc2)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000018136959 556684757 /nfs/dbraw/zinc/68/47/57/556684757.db2.gz NCIMNZMGIASSGZ-UHFFFAOYSA-N 0 0 447.848 5.486 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000018143422 556685000 /nfs/dbraw/zinc/68/50/00/556685000.db2.gz UXXFGVKPOTVQKM-PPHZAIPVSA-N 0 0 426.516 5.683 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000018244439 556687959 /nfs/dbraw/zinc/68/79/59/556687959.db2.gz PAFKFZIOUCPJCQ-RUZDIDTESA-N 0 0 434.536 5.257 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000018285627 556689428 /nfs/dbraw/zinc/68/94/28/556689428.db2.gz BXNREIQYHKIHTL-MMTVBGGISA-N 0 0 440.518 6.136 50 30 IKEARN CC(C)(C)c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000018324068 556689731 /nfs/dbraw/zinc/68/97/31/556689731.db2.gz HVSHJMSHWGEBHG-VWLOTQADSA-N 0 0 446.635 7.209 50 30 IKEARN Cc1cc(/C=C2/C(C)=NN(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000013552421 556696738 /nfs/dbraw/zinc/69/67/38/556696738.db2.gz OFIKLJVQMWKART-HMAPJEAMSA-N 0 0 440.572 5.712 50 30 IKEARN C=CCOc1ccc2c(c1)oc(=O)c(-c1cccc(Br)c1)c2-c1ccccc1 ZINC000002529938 556697407 /nfs/dbraw/zinc/69/74/07/556697407.db2.gz NPJZMRPTNZLSMF-UHFFFAOYSA-N 0 0 433.301 6.454 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(SC)cc2)ccc1O ZINC000033026453 556703201 /nfs/dbraw/zinc/70/32/01/556703201.db2.gz ITOCUDZKPBQEBU-WAIKUNEKSA-N 0 0 448.544 5.377 50 30 IKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)c1 ZINC000033027027 556704043 /nfs/dbraw/zinc/70/40/43/556704043.db2.gz XKYMMEMDVANRIZ-UHFFFAOYSA-N 0 0 433.895 6.268 50 30 IKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)cc1C ZINC000033027090 556704443 /nfs/dbraw/zinc/70/44/43/556704443.db2.gz ROWCCQQMNMVLCZ-UHFFFAOYSA-N 0 0 443.459 5.343 50 30 IKEARN C[C@@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@H](C)O1 ZINC000033027111 556704476 /nfs/dbraw/zinc/70/44/76/556704476.db2.gz BLWHKQOPCPKCEV-CALCHBBNSA-N 0 0 429.476 5.152 50 30 IKEARN Cc1nc(-c2ccccc2)sc1-c1cc(-c2ccccc2)c(C#N)c(Br)n1 ZINC000221569779 556719585 /nfs/dbraw/zinc/71/95/85/556719585.db2.gz URHCYJZENOXJPR-UHFFFAOYSA-N 0 0 432.346 6.482 50 30 IKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1 ZINC000013728493 556721142 /nfs/dbraw/zinc/72/11/42/556721142.db2.gz UDMXQIUVWKMNJZ-QFIPXVFZSA-N 0 0 444.874 5.260 50 30 IKEARN C=C(C)C(=O)Oc1ccc(OC(=O)c2ccc(OCCCCCC)c([N+](=O)[O-])c2)cc1 ZINC000013778762 556731695 /nfs/dbraw/zinc/73/16/95/556731695.db2.gz XZCDGMWDDCPSTP-UHFFFAOYSA-N 0 0 427.453 5.255 50 30 IKEARN Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2/C=C\C(=O)c2ccccc2)cc1 ZINC000033924531 556733226 /nfs/dbraw/zinc/73/32/26/556733226.db2.gz SWUMXSRWWQVLQO-QPIKWOFCSA-N 0 0 434.560 7.431 50 30 IKEARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000013880907 556748483 /nfs/dbraw/zinc/74/84/83/556748483.db2.gz YFYLWYGYFQGQBR-UUYOSTAYSA-N 0 0 445.569 5.034 50 30 IKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000072333067 556749640 /nfs/dbraw/zinc/74/96/40/556749640.db2.gz LGWIRWAGRWOHLZ-DEOSSOPVSA-N 0 0 443.547 5.399 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccccc1)OCCCO4 ZINC000005353907 556767374 /nfs/dbraw/zinc/76/73/74/556767374.db2.gz VRSUVUBTXIPLIS-OAQYLSRUSA-N 0 0 427.544 5.488 50 30 IKEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000034112425 556770181 /nfs/dbraw/zinc/77/01/81/556770181.db2.gz GAKVNINHIOJQFK-HFWLGXHLSA-N 0 0 442.477 6.410 50 30 IKEARN N#Cc1ccc(COCC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)cc1 ZINC000206599563 556770456 /nfs/dbraw/zinc/77/04/56/556770456.db2.gz VZDKXYAPBWJDSZ-UHFFFAOYSA-N 0 0 438.527 5.251 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000019535386 556793932 /nfs/dbraw/zinc/79/39/32/556793932.db2.gz IENQBFXOQIWOAP-HSZRJFAPSA-N 0 0 435.951 5.687 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000019535510 556793935 /nfs/dbraw/zinc/79/39/35/556793935.db2.gz DKOWFPXWOGZNDE-OAQYLSRUSA-N 0 0 442.342 5.705 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000019535939 556794053 /nfs/dbraw/zinc/79/40/53/556794053.db2.gz WEUPWBNKPHPDRU-NRFANRHFSA-N 0 0 444.369 5.293 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccco4)o3)sc2C1 ZINC000002396213 556799354 /nfs/dbraw/zinc/79/93/54/556799354.db2.gz WELYEHZSADMFIF-GFCCVEGCSA-N 0 0 442.566 5.145 50 30 IKEARN NC1=C(c2nc3ccccc3s2)C(=O)[C@H](c2ccccc2)N1CCc1ccc(Cl)cc1 ZINC000003319732 556810262 /nfs/dbraw/zinc/81/02/62/556810262.db2.gz BFEJYERATGLZED-QFIPXVFZSA-N 0 0 445.975 5.446 50 30 IKEARN N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCCCC2 ZINC000003294461 556810781 /nfs/dbraw/zinc/81/07/81/556810781.db2.gz OELJSOLXWGDWBQ-MDZDMXLPSA-N 0 0 448.466 5.103 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)CCCCC2 ZINC000003294851 556810994 /nfs/dbraw/zinc/81/09/94/556810994.db2.gz CJXVHELQIMGMNP-UHFFFAOYSA-N 0 0 445.919 5.687 50 30 IKEARN C=CCn1c(SCCOc2cc(C)ccc2C)nc2scc(-c3ccco3)c2c1=O ZINC000003299062 556811290 /nfs/dbraw/zinc/81/12/90/556811290.db2.gz FVOPHRIBCFYQJV-UHFFFAOYSA-N 0 0 438.574 5.692 50 30 IKEARN N#Cc1ccc(COC(=O)c2cc(-c3ccc(OC(F)F)cc3)nc3ccccc32)cc1 ZINC000003363194 556811775 /nfs/dbraw/zinc/81/17/75/556811775.db2.gz YSOBXKNBLPPNSY-UHFFFAOYSA-N 0 0 430.410 5.732 50 30 IKEARN CCCCCCCc1ccc(C(=O)Oc2cccc(NC(=O)Cc3ccccc3)c2)cc1 ZINC000097944599 556815171 /nfs/dbraw/zinc/81/51/71/556815171.db2.gz JYGMJIMYZUHPLV-UHFFFAOYSA-N 0 0 429.560 6.600 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3C)NC2=O)cc1Cl ZINC000096475749 556816964 /nfs/dbraw/zinc/81/69/64/556816964.db2.gz JGMVFJLFZKPFLZ-SXGWCWSVSA-N 0 0 437.746 5.311 50 30 IKEARN COc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 ZINC000003117110 556826936 /nfs/dbraw/zinc/82/69/36/556826936.db2.gz YGNUWVNSNHDXQG-RDRPBHBLSA-N 0 0 434.495 6.833 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005593079 556827281 /nfs/dbraw/zinc/82/72/81/556827281.db2.gz QBJPUYTWPQBQQS-XMMPIXPASA-N 0 0 427.548 5.780 50 30 IKEARN CCn1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccccc3Br)c2)n1 ZINC000019633259 556833488 /nfs/dbraw/zinc/83/34/88/556833488.db2.gz KIMMQRYZDSYUGN-CSKARUKUSA-N 0 0 441.325 5.149 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019635426 556834724 /nfs/dbraw/zinc/83/47/24/556834724.db2.gz GJXNZLWSOVVDNT-OYHNWAKOSA-N 0 0 442.342 5.528 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019638554 556836467 /nfs/dbraw/zinc/83/64/67/556836467.db2.gz MDKPGMFAWUMHKT-RXFWQSSRSA-N 0 0 443.543 5.240 50 30 IKEARN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000019638855 556836654 /nfs/dbraw/zinc/83/66/54/556836654.db2.gz GVSWZUGWKHMTRH-DZNDYGJHSA-N 0 0 443.572 6.074 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000096609628 556837394 /nfs/dbraw/zinc/83/73/94/556837394.db2.gz OBPBUAWGQFZUQD-MDRWVBAWSA-N 0 0 435.332 5.404 50 30 IKEARN O=C(Oc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000096602401 556838019 /nfs/dbraw/zinc/83/80/19/556838019.db2.gz AZNOABHQADOCLH-MOSHPQCFSA-N 0 0 438.266 5.557 50 30 IKEARN N#Cc1ccc2[nH]cc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c1 ZINC000096602334 556838031 /nfs/dbraw/zinc/83/80/31/556838031.db2.gz VHUNBHULBDDDBS-HHHXNRCGSA-N 0 0 440.978 5.600 50 30 IKEARN N#Cc1ccc2[nH]cc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c1 ZINC000096602333 556838059 /nfs/dbraw/zinc/83/80/59/556838059.db2.gz VHUNBHULBDDDBS-MHZLTWQESA-N 0 0 440.978 5.600 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019643810 556838515 /nfs/dbraw/zinc/83/85/15/556838515.db2.gz PVKTZYSQXFLDJZ-FNZWTVRRSA-N 0 0 445.559 5.399 50 30 IKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1 ZINC000097951296 556848528 /nfs/dbraw/zinc/84/85/28/556848528.db2.gz ZVXXFMFDGXVLQZ-SANMLTNESA-N 0 0 441.656 7.452 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097952917 556849790 /nfs/dbraw/zinc/84/97/90/556849790.db2.gz RNKOBFACQDCZQT-QHCPKHFHSA-N 0 0 431.624 7.006 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc21 ZINC000097952912 556850006 /nfs/dbraw/zinc/85/00/06/556850006.db2.gz PNJRESPOMHBQTP-UHFFFAOYSA-N 0 0 444.535 5.486 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc21 ZINC000097952664 556850023 /nfs/dbraw/zinc/85/00/23/556850023.db2.gz PRWNBFUWWKNCPB-UHFFFAOYSA-N 0 0 430.552 5.846 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954202 556850179 /nfs/dbraw/zinc/85/01/79/556850179.db2.gz JAOWTFRJFOYGJG-QFIPXVFZSA-N 0 0 447.623 6.706 50 30 IKEARN CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097954775 556850181 /nfs/dbraw/zinc/85/01/81/556850181.db2.gz HLPJGEFAZYYPTN-OAQYLSRUSA-N 0 0 433.596 6.316 50 30 IKEARN CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954741 556850185 /nfs/dbraw/zinc/85/01/85/556850185.db2.gz QUYKQUBUXJYEIT-NRFANRHFSA-N 0 0 433.596 6.316 50 30 IKEARN CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954160 556850202 /nfs/dbraw/zinc/85/02/02/556850202.db2.gz XUOVDNGQFJTUMM-QHCPKHFHSA-N 0 0 431.624 7.006 50 30 IKEARN CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954740 556850252 /nfs/dbraw/zinc/85/02/52/556850252.db2.gz QUYKQUBUXJYEIT-OAQYLSRUSA-N 0 0 433.596 6.316 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2ccccc21 ZINC000008991936 556853320 /nfs/dbraw/zinc/85/33/20/556853320.db2.gz RIOAIJQUVPDBRR-VULFUBBASA-N 0 0 425.484 5.865 50 30 IKEARN CC(C)(C)C1CCC(OC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000004689333 556881834 /nfs/dbraw/zinc/88/18/34/556881834.db2.gz GUYBZSDNFAZOAG-UHFFFAOYSA-N 0 0 430.614 5.755 50 30 IKEARN Cn1c2ccccc2nc1-c1ccccc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000004714762 556888810 /nfs/dbraw/zinc/88/88/10/556888810.db2.gz VBQURYDSCJHWGG-UHFFFAOYSA-N 0 0 425.576 6.841 50 30 IKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004712787 556890374 /nfs/dbraw/zinc/89/03/74/556890374.db2.gz JTFHIBPPUAYFMW-QHCPKHFHSA-N 0 0 425.569 5.423 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2)cc1 ZINC000019762179 556906202 /nfs/dbraw/zinc/90/62/02/556906202.db2.gz VSCKTDPFELJHJH-XMMPIXPASA-N 0 0 431.532 5.043 50 30 IKEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000019762475 556906881 /nfs/dbraw/zinc/90/68/81/556906881.db2.gz ZWMDYDWSLZDAAN-CPJSRVTESA-N 0 0 431.532 5.008 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019762432 556906981 /nfs/dbraw/zinc/90/69/81/556906981.db2.gz YWGBWEAQQLRIII-UFHPHHKVSA-N 0 0 449.550 5.792 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019798392 556916720 /nfs/dbraw/zinc/91/67/20/556916720.db2.gz CBUBAZFLWZEAAB-XMMPIXPASA-N 0 0 449.978 5.730 50 30 IKEARN C=CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1Cl ZINC000019804664 556917963 /nfs/dbraw/zinc/91/79/63/556917963.db2.gz FZBOJNQJTOHFSM-OAQYLSRUSA-N 0 0 435.907 5.036 50 30 IKEARN C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1Cl ZINC000019808848 556918380 /nfs/dbraw/zinc/91/83/80/556918380.db2.gz ZMZKOUTWWJXFQD-OGLMXYFKSA-N 0 0 436.386 6.105 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)cc1 ZINC000019831169 556926526 /nfs/dbraw/zinc/92/65/26/556926526.db2.gz HPZJEKCONPWXKY-QHCPKHFHSA-N 0 0 437.561 5.104 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019832355 556927348 /nfs/dbraw/zinc/92/73/48/556927348.db2.gz PDSNKZYSTISUEI-MHECFPHRSA-N 0 0 435.951 5.653 50 30 IKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019840531 556929349 /nfs/dbraw/zinc/92/93/49/556929349.db2.gz KOCLNSLPPORYAS-JOCHJYFZSA-N 0 0 433.577 5.046 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1 ZINC000019879803 556936434 /nfs/dbraw/zinc/93/64/34/556936434.db2.gz XTGBMTDYYFWIIP-BYEGDDEQSA-N 0 0 438.597 5.696 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(OC)cc2)C1=O ZINC000019925488 556944553 /nfs/dbraw/zinc/94/45/53/556944553.db2.gz HSHLYGHTOOIUME-QNGOZBTKSA-N 0 0 431.513 5.392 50 30 IKEARN CC(=O)C1=C(C)N[C@H](c2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019943870 556953942 /nfs/dbraw/zinc/95/39/42/556953942.db2.gz FOUPCSKNFATMEY-MOPGFXCFSA-N 0 0 430.162 6.096 50 30 IKEARN CCCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccc(C#N)cc2)cc1 ZINC000097958710 556977990 /nfs/dbraw/zinc/97/79/90/556977990.db2.gz VWVBMGVPJZJOFW-ULIFNZDWSA-N 0 0 446.683 9.867 50 30 IKEARN CCCCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000097968818 556989171 /nfs/dbraw/zinc/98/91/71/556989171.db2.gz RJNNANDABJZSRA-GHMPKOMJSA-N 0 0 432.608 6.903 50 30 IKEARN CCCCCCCCOc1ccc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)cc1 ZINC000097968962 556989318 /nfs/dbraw/zinc/98/93/18/556989318.db2.gz ONSUEHPOAPMAFD-MOHJPFBDSA-N 0 0 436.621 7.125 50 30 IKEARN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020175985 556995211 /nfs/dbraw/zinc/99/52/11/556995211.db2.gz JXVXKLQLAMETLE-ZVHZXABRSA-N 0 0 448.504 5.628 50 30 IKEARN O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000020224098 557000909 /nfs/dbraw/zinc/00/09/09/557000909.db2.gz SDOCCHAPCBQVFS-QGZVFWFLSA-N 0 0 439.930 6.212 50 30 IKEARN COc1cc(OC)cc(/C(O)=N/c2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000020228106 557001069 /nfs/dbraw/zinc/00/10/69/557001069.db2.gz HAYUNQMYPKIQBG-UHFFFAOYSA-N 0 0 430.460 5.059 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000097998493 557004208 /nfs/dbraw/zinc/00/42/08/557004208.db2.gz QWHWDDAPTMQSDM-UHFFFAOYSA-N 0 0 446.551 5.682 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 ZINC000097997729 557004304 /nfs/dbraw/zinc/00/43/04/557004304.db2.gz SHIATAAJJMYXAO-CLCOLTQESA-N 0 0 439.983 7.204 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccc(OC)c3)C(=O)O2)cc1 ZINC000097997737 557004376 /nfs/dbraw/zinc/00/43/76/557004376.db2.gz KRXMUTUJIGCAJY-QQTULTPQSA-N 0 0 435.564 6.559 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000020322688 557007740 /nfs/dbraw/zinc/00/77/40/557007740.db2.gz LJCYWJFELCCEMQ-OYHNWAKOSA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl ZINC000020322706 557007770 /nfs/dbraw/zinc/00/77/70/557007770.db2.gz LJCYWJFELCCEMQ-QRQCRPRQSA-N 0 0 425.887 5.014 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000020322700 557007778 /nfs/dbraw/zinc/00/77/78/557007778.db2.gz LJCYWJFELCCEMQ-IVZQSRNASA-N 0 0 425.887 5.014 50 30 IKEARN Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(C)c1 ZINC000020357021 557011160 /nfs/dbraw/zinc/01/11/60/557011160.db2.gz GVRGFCVKOQVXOF-HHHXNRCGSA-N 0 0 441.531 5.515 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943037 557011698 /nfs/dbraw/zinc/01/16/98/557011698.db2.gz AUCHPVCYSGQBDS-UHFFFAOYSA-N 0 0 444.966 5.824 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(C(=O)N2CCOCC2)cc1 ZINC000098000407 557011881 /nfs/dbraw/zinc/01/18/81/557011881.db2.gz VYPIGRKSKPXRRY-UHFFFAOYSA-N 0 0 431.661 7.019 50 30 IKEARN Oc1ccccc1/C=N\c1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 ZINC000020414108 557014455 /nfs/dbraw/zinc/01/44/55/557014455.db2.gz ZBTVKKASNMLSID-MXAYSNPKSA-N 0 0 436.989 7.212 50 30 IKEARN COc1ccc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)cc1 ZINC000032943155 557017233 /nfs/dbraw/zinc/01/72/33/557017233.db2.gz FSYAWSZYTICOOL-UHFFFAOYSA-N 0 0 432.568 5.274 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1cc2ccccc2o1 ZINC000010681994 557017544 /nfs/dbraw/zinc/01/75/44/557017544.db2.gz BIGHCOMNBBKPBH-UHFFFAOYSA-N 0 0 444.560 5.487 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1F ZINC000032943215 557017920 /nfs/dbraw/zinc/01/79/20/557017920.db2.gz FHLFTOJVXPRJGL-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1c(F)cccc1F)NCCc1c[nH]c2ccccc12 ZINC000032943384 557019185 /nfs/dbraw/zinc/01/91/85/557019185.db2.gz VXTGTMXWMGVSOJ-UHFFFAOYSA-N 0 0 446.501 5.449 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2F)cc1F ZINC000032943441 557019534 /nfs/dbraw/zinc/01/95/34/557019534.db2.gz ALBWMSXSPSRSOR-UHFFFAOYSA-N 0 0 432.474 5.195 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C ZINC000098017925 557026417 /nfs/dbraw/zinc/02/64/17/557026417.db2.gz TXFDYBWNCCANNX-UHFFFAOYSA-N 0 0 440.628 5.696 50 30 IKEARN N#Cc1c(NC(=O)CCSc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153774 557028562 /nfs/dbraw/zinc/02/85/62/557028562.db2.gz ABIXYRSBGKSYGC-UHFFFAOYSA-N 0 0 433.602 5.299 50 30 IKEARN N#Cc1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153767 557028786 /nfs/dbraw/zinc/02/87/86/557028786.db2.gz GDNKOYARACQRRG-UHFFFAOYSA-N 0 0 437.568 5.512 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1nc3ccccc3s1)CN(Cc1ccccc1)CC2 ZINC000023153770 557028867 /nfs/dbraw/zinc/02/88/67/557028867.db2.gz OJOBWDNYXMIABG-UHFFFAOYSA-N 0 0 430.558 5.040 50 30 IKEARN CCCCCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(OC)c2)s1 ZINC000098021369 557029073 /nfs/dbraw/zinc/02/90/73/557029073.db2.gz ZIYNLPMENTVWDI-UHFFFAOYSA-N 0 0 435.615 5.601 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000098021359 557029087 /nfs/dbraw/zinc/02/90/87/557029087.db2.gz MUPAZVCNIQMCQQ-SANMLTNESA-N 0 0 438.637 6.771 50 30 IKEARN CCCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1 ZINC000098021297 557029164 /nfs/dbraw/zinc/02/91/64/557029164.db2.gz AVSLVHUCXSIMBW-UHFFFAOYSA-N 0 0 440.607 5.223 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000098021314 557029182 /nfs/dbraw/zinc/02/91/82/557029182.db2.gz BBFGQDJEHFMWER-VWLOTQADSA-N 0 0 442.600 6.684 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000098021498 557029392 /nfs/dbraw/zinc/02/93/92/557029392.db2.gz OIGFNNCBOPHFKK-RUZDIDTESA-N 0 0 442.600 6.602 50 30 IKEARN CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000098021499 557029405 /nfs/dbraw/zinc/02/94/05/557029405.db2.gz OIGFNNCBOPHFKK-VWLOTQADSA-N 0 0 442.600 6.602 50 30 IKEARN Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000023175877 557037068 /nfs/dbraw/zinc/03/70/68/557037068.db2.gz ZIHDJTLTMKKKEZ-YRNVUSSQSA-N 0 0 438.439 5.743 50 30 IKEARN CCCCCCCCCCc1ccc(-c2ccc(SCCCCCCCC)cc2)nc1 ZINC000098044745 557046009 /nfs/dbraw/zinc/04/60/09/557046009.db2.gz ZJCVQXGDYXKXRB-UHFFFAOYSA-N 0 0 439.753 9.884 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000098048304 557046479 /nfs/dbraw/zinc/04/64/79/557046479.db2.gz JJYFJZQCMBXZID-UHFFFAOYSA-N 0 0 435.395 7.325 50 30 biogenic IKEARN CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000098046262 557046607 /nfs/dbraw/zinc/04/66/07/557046607.db2.gz KNFWDEOYRQGUQA-QFIPXVFZSA-N 0 0 425.956 6.279 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nc2c3ccccc3[nH]c2c1=O ZINC000017271238 557049225 /nfs/dbraw/zinc/04/92/25/557049225.db2.gz HRSJUOHIBFUUKQ-UHFFFAOYSA-N 0 0 446.576 5.137 50 30 IKEARN Clc1ccc(C=NN=c2cc(N3CCCCCC3)[nH]c(N3CCCCCC3)n2)cc1 ZINC000004738244 557058435 /nfs/dbraw/zinc/05/84/35/557058435.db2.gz MEENJTHHQSMUCL-XIEYBQDHSA-N 0 0 426.996 5.337 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1 ZINC000048303093 557064751 /nfs/dbraw/zinc/06/47/51/557064751.db2.gz YGQOEVZOLKDXFJ-VMPITWQZSA-N 0 0 428.315 5.986 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1C ZINC000033293968 557072284 /nfs/dbraw/zinc/07/22/84/557072284.db2.gz HXPAHSAEJQQVQZ-XDHOZWIPSA-N 0 0 446.557 5.816 50 30 IKEARN CC(C)CCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCC(C)C)cc2)cc1 ZINC000004752103 557076707 /nfs/dbraw/zinc/07/67/07/557076707.db2.gz TXHYCHHZIMRKFD-VFIVCBTMSA-N 0 0 436.640 7.550 50 30 IKEARN CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321100 557105745 /nfs/dbraw/zinc/10/57/45/557105745.db2.gz WBGLFIYLTVLZBJ-KOSHJBKYSA-N 0 0 430.504 5.218 50 30 IKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC ZINC000033321069 557105749 /nfs/dbraw/zinc/10/57/49/557105749.db2.gz HNDMICIJUBJPRI-HOYKHHGWSA-N 0 0 430.504 5.349 50 30 IKEARN CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC ZINC000033321071 557105793 /nfs/dbraw/zinc/10/57/93/557105793.db2.gz HNDMICIJUBJPRI-MHECFPHRSA-N 0 0 430.504 5.349 50 30 IKEARN Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1 ZINC000017721782 557112258 /nfs/dbraw/zinc/11/22/58/557112258.db2.gz ORXNONNFHLAHLN-PMICNGQHSA-N 0 0 439.471 5.583 50 30 IKEARN O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000033338160 557118871 /nfs/dbraw/zinc/11/88/71/557118871.db2.gz QDEOGOZAGMTWLH-WCTVFOPTSA-N 0 0 443.978 5.720 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S ZINC000002672937 557119167 /nfs/dbraw/zinc/11/91/67/557119167.db2.gz YPFSBZWLDOGRRX-STZFKDTASA-N 0 0 445.613 5.852 50 30 IKEARN Cc1cc(OCCCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)ccc1Cl ZINC000014903909 557119920 /nfs/dbraw/zinc/11/99/20/557119920.db2.gz HMHPHVRPFVTEOC-UHFFFAOYSA-N 0 0 438.911 5.102 50 30 IKEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000014923676 557121561 /nfs/dbraw/zinc/12/15/61/557121561.db2.gz HLKNSBFYTFERQX-OEAKJJBVSA-N 0 0 440.843 5.572 50 30 IKEARN COc1cc2c(cc1OC)-c1c(C#N)c(-c3ccc(C)cc3)c(C(=O)c3ccccc3)n1CC2 ZINC000000624411 557121724 /nfs/dbraw/zinc/12/17/24/557121724.db2.gz BGQVBRJXDWLQKK-UHFFFAOYSA-N 0 0 448.522 5.807 50 30 IKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793368 557125543 /nfs/dbraw/zinc/12/55/43/557125543.db2.gz IJYDOFLNIGXWJM-NRFANRHFSA-N 0 0 443.572 5.656 50 30 IKEARN C=C(C)COc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1OCC ZINC000000651595 557126882 /nfs/dbraw/zinc/12/68/82/557126882.db2.gz WIQOQWWTANIOJY-WOJGMQOQSA-N 0 0 442.309 5.147 50 30 IKEARN CCCC/N=C(/C=C1\SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000033352283 557128111 /nfs/dbraw/zinc/12/81/11/557128111.db2.gz OPWCBPGPXAQPKY-JPVVWYJXSA-N 0 0 430.042 6.546 50 30 IKEARN Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c12 ZINC000023983748 557129493 /nfs/dbraw/zinc/12/94/93/557129493.db2.gz PITXMMKNYWDFQJ-NRFANRHFSA-N 0 0 443.551 5.193 50 30 IKEARN CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2[C@H]1c1ccc(Cl)cc1 ZINC000000658609 557130269 /nfs/dbraw/zinc/13/02/69/557130269.db2.gz YNENGFDBOHXUCG-SFHVURJKSA-N 0 0 440.927 5.774 50 30 IKEARN Cc1cccc(N2N=C(C(=O)Nc3nnc(-c4ccc(C(C)C)cc4)s3)CCC2=O)c1 ZINC000024092801 557136500 /nfs/dbraw/zinc/13/65/00/557136500.db2.gz IAOWWRNFZXULQO-UHFFFAOYSA-N 0 0 433.537 5.408 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000000709280 557140599 /nfs/dbraw/zinc/14/05/99/557140599.db2.gz GERFIDXGUNWYFX-JOCHJYFZSA-N 0 0 435.882 5.300 50 30 IKEARN Oc1ccccc1/C=N/c1ccccc1OCOc1ccccc1/N=C/c1ccccc1O ZINC000003146717 557144269 /nfs/dbraw/zinc/14/42/69/557144269.db2.gz RMQMPNIWQXZDMF-POAOKBCDSA-N 0 0 438.483 6.014 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 ZINC000000714507 557147755 /nfs/dbraw/zinc/14/77/55/557147755.db2.gz NCBBMZHTJFJXIK-VWLOTQADSA-N 0 0 427.500 5.887 50 30 IKEARN N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccccc5)cc4C3=O)cc2)cc1 ZINC000000725810 557151248 /nfs/dbraw/zinc/15/12/48/557151248.db2.gz AQMKLXSQQHTPPR-UHFFFAOYSA-N 0 0 432.435 5.943 50 30 IKEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1sc2ccccc2c1Cl ZINC000000727909 557157086 /nfs/dbraw/zinc/15/70/86/557157086.db2.gz QSSDXYKFFJCJEN-UHFFFAOYSA-N 0 0 425.966 5.974 50 30 IKEARN O=S(=O)(N=C(Nc1ccccc1Sc1ccccc1)c1ccccc1)c1ccccc1 ZINC000006190041 557157178 /nfs/dbraw/zinc/15/71/78/557157178.db2.gz KWXSYEXLIUYYFC-UHFFFAOYSA-N 0 0 444.581 6.085 50 30 IKEARN CCCCCCCCCCCCCCCCCCSc1nnc(/N=C/N(C)C)s1 ZINC000095703689 557159948 /nfs/dbraw/zinc/15/99/48/557159948.db2.gz UOIOYMOADILWCN-DARPEHSRSA-N 0 0 440.767 8.113 50 30 IKEARN CC(=O)c1c(C)nc2c(C#N)c(C)n(-c3ccc(Br)cc3)c2c1-c1ccccc1 ZINC000000755421 557167989 /nfs/dbraw/zinc/16/79/89/557167989.db2.gz OURUMQFGSQPXBG-UHFFFAOYSA-N 0 0 444.332 6.146 50 30 IKEARN CC1(C)Cc2c(C#N)c(NC(=O)C(Cc3ccccc3)Cc3ccccc3)sc2CO1 ZINC000000751908 557168199 /nfs/dbraw/zinc/16/81/99/557168199.db2.gz FLGUZZODZIZBHP-UHFFFAOYSA-N 0 0 430.573 5.511 50 30 IKEARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000000751976 557168299 /nfs/dbraw/zinc/16/82/99/557168299.db2.gz CBZXKVRFVKYQGY-AREMUKBSSA-N 0 0 444.556 5.056 50 30 IKEARN N#Cc1c(-c2ccccc2F)cc(C2CC2)nc1SCCN1C(=O)c2ccccc2C1=O ZINC000000755434 557169979 /nfs/dbraw/zinc/16/99/79/557169979.db2.gz QEEQVJKCGUQBLE-UHFFFAOYSA-N 0 0 443.503 5.025 50 30 IKEARN C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000000755585 557169984 /nfs/dbraw/zinc/16/99/84/557169984.db2.gz ASKWCVANZBJACO-DENIHFKCSA-N 0 0 443.410 6.037 50 30 IKEARN N#Cc1c(SCC(=O)c2cccs2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000000756926 557170362 /nfs/dbraw/zinc/17/03/62/557170362.db2.gz PCUUBMDHVSPNLY-UHFFFAOYSA-N 0 0 436.558 6.524 50 30 IKEARN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000100163363 557180472 /nfs/dbraw/zinc/18/04/72/557180472.db2.gz ZGLHBRQAEXKACO-XJRQOBMKSA-N 0 0 428.657 5.727 50 30 endogenous,in-man IKEARN C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000009261540 557184307 /nfs/dbraw/zinc/18/43/07/557184307.db2.gz CWDMSIQLYQLERE-HXUWFJFHSA-N 0 0 441.000 5.537 50 30 IKEARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(N=Nc1cccnc1)C(=O)c1ccccc1 ZINC000100843253 557191160 /nfs/dbraw/zinc/19/11/60/557191160.db2.gz OSQSWUNBYNSBTR-MIXAMLLLSA-N 0 0 446.816 5.043 50 30 IKEARN COc1cc(/C=N/c2ccc(Br)cc2)ccc1OC(=O)Oc1ccccc1 ZINC000100852757 557192832 /nfs/dbraw/zinc/19/28/32/557192832.db2.gz VRBQIFYPUQPNBP-OEAKJJBVSA-N 0 0 426.266 5.786 50 30 IKEARN CCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 ZINC000100864083 557194811 /nfs/dbraw/zinc/19/48/11/557194811.db2.gz XNUMMXZDRSMRNZ-HLYLYWOTSA-N 0 0 435.608 7.291 50 30 IKEARN O=C1[C@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000100878555 557197887 /nfs/dbraw/zinc/19/78/87/557197887.db2.gz DCUGRKVJPDVMFU-PQSQLZRBSA-N 0 0 441.915 5.149 50 30 IKEARN CCCCCCCCCOc1ccc(/C=N/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 ZINC000100886820 557198257 /nfs/dbraw/zinc/19/82/57/557198257.db2.gz SDTKHWMFHXSCKR-QZPVIKGESA-N 0 0 435.608 7.291 50 30 IKEARN CCCCCCCCc1ccc(CCc2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000100910961 557200049 /nfs/dbraw/zinc/20/00/49/557200049.db2.gz VPIFMVGSYFBAQH-UHFFFAOYSA-N 0 0 449.476 8.804 50 30 IKEARN O=C1N/C(=N\N=C\c2ccc(-c3cccc(Cl)c3)o2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000011565467 557201538 /nfs/dbraw/zinc/20/15/38/557201538.db2.gz GERDBPIXVJGFRW-QVHMZZSFSA-N 0 0 444.343 5.418 50 30 IKEARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C/c3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000100933638 557202659 /nfs/dbraw/zinc/20/26/59/557202659.db2.gz IQGIUFDQXGHOGG-MZJWZYIUSA-N 0 0 447.478 6.149 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000792609 557203589 /nfs/dbraw/zinc/20/35/89/557203589.db2.gz TZQLJEPCNXUWFA-QFQXNSOFSA-N 0 0 442.559 5.319 50 30 IKEARN N#Cc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000096609276 557203632 /nfs/dbraw/zinc/20/36/32/557203632.db2.gz VMOGIYKUYBXASL-GKTLAHRSSA-N 0 0 426.479 6.723 50 30 IKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 ZINC000011614476 557208881 /nfs/dbraw/zinc/20/88/81/557208881.db2.gz VYHJWELMMIXHGU-KDCJDZRUSA-N 0 0 426.428 6.072 50 30 IKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000100982901 557209839 /nfs/dbraw/zinc/20/98/39/557209839.db2.gz XJLLISDVTIVJIN-UHFFFAOYSA-N 0 0 445.401 6.781 50 30 biogenic IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2[C@@H]1CC=CCC1 ZINC000169678648 557209999 /nfs/dbraw/zinc/20/99/99/557209999.db2.gz SBXTZUYFCSRDJV-HRFSGMKKSA-N 0 0 447.623 5.299 50 30 IKEARN O=C(/C=C/c1ccccc1Cl)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000025558046 557214021 /nfs/dbraw/zinc/21/40/21/557214021.db2.gz FGWISKKKODKKDN-VGOFMYFVSA-N 0 0 433.312 5.657 50 30 IKEARN Oc1ccc(Br)cc1/C=N/c1nc(-c2ccc(Br)cc2)cs1 ZINC000025559349 557214382 /nfs/dbraw/zinc/21/43/82/557214382.db2.gz ZTHWQBQYPKAUHJ-UFWORHAWSA-N 0 0 438.144 5.791 50 30 IKEARN COc1ccc(-c2csc(N(/N=C(\C)c3ccc(Cl)cc3)c3ccccc3)n2)cc1 ZINC000025560155 557214833 /nfs/dbraw/zinc/21/48/33/557214833.db2.gz HMWDMYDZIWYAKP-WPWMEQJKSA-N 0 0 433.964 7.034 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1 ZINC000097464885 557218834 /nfs/dbraw/zinc/21/88/34/557218834.db2.gz DLGWNTCNKOEYDP-POHHJLCXSA-N 0 0 430.957 5.761 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1 ZINC000097464920 557218887 /nfs/dbraw/zinc/21/88/87/557218887.db2.gz SKXGJPMPICTUNM-YFGQCYJXSA-N 0 0 440.565 5.507 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069915 557223648 /nfs/dbraw/zinc/22/36/48/557223648.db2.gz XPVJOZGNWYXKME-JBCNATCCSA-N 0 0 448.316 5.384 50 30 IKEARN CC1=CC(C)(C)[N+](CCCC(=O)[O-])=c2cc3c(cc21)=Cc1ccc(N(C)C)cc1C3(C)C ZINC000025759825 557224621 /nfs/dbraw/zinc/22/46/21/557224621.db2.gz YASIJCFIVBXZFO-UHFFFAOYSA-O 0 0 431.600 5.437 50 30 in-vitro IKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc(C)c1 ZINC000000809687 557228900 /nfs/dbraw/zinc/22/89/00/557228900.db2.gz FUIGBCCUVSGYPQ-UHFFFAOYSA-N 0 0 443.543 5.284 50 30 IKEARN CCCCCCCCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccccc2)cc1 ZINC000097943423 557229932 /nfs/dbraw/zinc/22/99/32/557229932.db2.gz FJBLWLWXKDTUKE-QVIHXGFCSA-N 0 0 436.640 9.489 50 30 IKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097950784 557230593 /nfs/dbraw/zinc/23/05/93/557230593.db2.gz RSDDXNATUIZKTN-HNNXBMFYSA-N 0 0 434.622 6.578 50 30 IKEARN CCCCCCCC(=O)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097950877 557230680 /nfs/dbraw/zinc/23/06/80/557230680.db2.gz KVYUSCFINZSFTB-HNNXBMFYSA-N 0 0 434.622 6.578 50 30 IKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097950797 557230697 /nfs/dbraw/zinc/23/06/97/557230697.db2.gz XZTKKQSXYVCNGS-OAQYLSRUSA-N 0 0 449.894 7.612 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(CC)cc2)cc1 ZINC000098021392 557232305 /nfs/dbraw/zinc/23/23/05/557232305.db2.gz QCVFHRMQHKDPKF-SANMLTNESA-N 0 0 438.637 6.717 50 30 IKEARN CCCCCCCCCCCCCCOc1ccccc1NCn1nnc2ccccc21 ZINC000098050352 557232550 /nfs/dbraw/zinc/23/25/50/557232550.db2.gz FGTQEUXJKFEIEW-UHFFFAOYSA-N 0 0 436.644 7.581 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccc(Cl)c([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100003719 557236949 /nfs/dbraw/zinc/23/69/49/557236949.db2.gz QUYQBEJRYLGLOV-IBGZPJMESA-N 0 0 447.915 5.107 50 30 IKEARN CC1(C)CC(=O)C(C(c2cccc(C(F)(F)F)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100023893 557237630 /nfs/dbraw/zinc/23/76/30/557237630.db2.gz TVQRBQCRQCJQFS-IBGZPJMESA-N 0 0 436.470 5.565 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1cnn3c1nc(-c1ccccc1)cc3C(F)F)CCCC2 ZINC000000815306 557238001 /nfs/dbraw/zinc/23/80/01/557238001.db2.gz ANLLCJAVLKNCLU-UHFFFAOYSA-N 0 0 449.486 5.398 50 30 IKEARN CCOC(=O)c1ccc(/N=C/N(Cc2ccccc2)c2ccc(C(=O)OCC)cc2)cc1 ZINC000100042728 557238951 /nfs/dbraw/zinc/23/89/51/557238951.db2.gz WHRPFDOAMQIPQF-ZXVVBBHZSA-N 0 0 430.504 5.407 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000018143552 557242974 /nfs/dbraw/zinc/24/29/74/557242974.db2.gz FHNUQLHNFJIHEW-LJQANCHMSA-N 0 0 434.879 6.026 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1Br ZINC000018154557 557243807 /nfs/dbraw/zinc/24/38/07/557243807.db2.gz OWEFIUSTMCYYBI-IBGZPJMESA-N 0 0 434.333 6.227 50 30 IKEARN C(#Cc1cccc(-c2nc(-c3ccccc3)c(-c3cnc4ccccc4c3)[nH]2)c1)c1ccccc1 ZINC000018194171 557247243 /nfs/dbraw/zinc/24/72/43/557247243.db2.gz PHTBGZJRFVQPKD-UHFFFAOYSA-N 0 0 447.541 7.359 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196234 557247949 /nfs/dbraw/zinc/24/79/49/557247949.db2.gz JIBVDMOFOBRWAP-QKFKETGDSA-N 0 0 435.932 6.088 50 30 IKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000018196918 557248307 /nfs/dbraw/zinc/24/83/07/557248307.db2.gz DPPKVWONRSMZNE-HHHXNRCGSA-N 0 0 441.527 5.847 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)c1cc3c(cc1N2)OCO3 ZINC000018196827 557248434 /nfs/dbraw/zinc/24/84/34/557248434.db2.gz METSHPXHVXMWDW-SANMLTNESA-N 0 0 425.484 5.559 50 30 IKEARN COc1cc2c(cc1OC)[C@H](c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000018197153 557248683 /nfs/dbraw/zinc/24/86/83/557248683.db2.gz KIAOTBPHMURIHE-MHZLTWQESA-N 0 0 441.527 5.847 50 30 IKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000018197158 557248695 /nfs/dbraw/zinc/24/86/95/557248695.db2.gz IJBQHCMRVOKICQ-AREMUKBSSA-N 0 0 427.500 6.061 50 30 IKEARN Cc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)s1 ZINC000018200816 557249386 /nfs/dbraw/zinc/24/93/86/557249386.db2.gz DWXRYRSWBFAUSL-IVZQSRNASA-N 0 0 443.528 5.087 50 30 IKEARN Cc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1 ZINC000018200820 557249400 /nfs/dbraw/zinc/24/94/00/557249400.db2.gz DWXRYRSWBFAUSL-OYHNWAKOSA-N 0 0 443.528 5.087 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018199729 557251087 /nfs/dbraw/zinc/25/10/87/557251087.db2.gz VLYFPWGBPONZCI-HOYKHHGWSA-N 0 0 438.556 5.595 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@@H]3c2ccccc2Cl)cc1OC ZINC000018199315 557251173 /nfs/dbraw/zinc/25/11/73/557251173.db2.gz FGWIEEWJNLXGFK-CMJOXMDJSA-N 0 0 449.938 5.347 50 30 IKEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)c1 ZINC000018255032 557254455 /nfs/dbraw/zinc/25/44/55/557254455.db2.gz CBSRRWYSANEKAR-PDGQHHTCSA-N 0 0 426.950 6.284 50 30 IKEARN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1c[nH]c2ccccc21 ZINC000018285127 557255993 /nfs/dbraw/zinc/25/59/93/557255993.db2.gz XTDJTDQSFSJBQM-HHHXNRCGSA-N 0 0 441.575 6.357 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000100285341 557256605 /nfs/dbraw/zinc/25/66/05/557256605.db2.gz QRGBGXFVUZSUBB-UHFFFAOYSA-N 0 0 429.733 8.862 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000101166010 557257810 /nfs/dbraw/zinc/25/78/10/557257810.db2.gz PLAMASJBLAMQKA-XLNRJJMWSA-N 0 0 425.550 6.372 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)ccc1O ZINC000027229159 557258913 /nfs/dbraw/zinc/25/89/13/557258913.db2.gz JRROZVREZHGKHW-LZYBPNLTSA-N 0 0 442.846 5.355 50 30 IKEARN CC1(C)CC(=O)C(C(=S)Nc2ccc(Cl)cc2Cl)=C(NCc2ccccc2)C1 ZINC000100430240 557261136 /nfs/dbraw/zinc/26/11/36/557261136.db2.gz BGMKMKGJZSQBNF-UHFFFAOYSA-N 0 0 433.404 6.166 50 30 IKEARN CCCCCCCCCCCC[C@H]1CCCCC1=NOC(=O)Nc1ccccc1Cl ZINC000100442506 557261399 /nfs/dbraw/zinc/26/13/99/557261399.db2.gz XIVDVFMFBDHNHZ-RNDJKCMBSA-N 0 0 435.052 8.746 50 30 IKEARN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000100502405 557262774 /nfs/dbraw/zinc/26/27/74/557262774.db2.gz YLAYICMIVDQPCF-AFUMVMLFSA-N 0 0 425.469 6.481 50 30 IKEARN COc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000100507617 557262938 /nfs/dbraw/zinc/26/29/38/557262938.db2.gz XBBPKCDGNMQZIT-BHGWPJFGSA-N 0 0 441.256 5.861 50 30 IKEARN Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c(C)c1 ZINC000100507095 557262958 /nfs/dbraw/zinc/26/29/58/557262958.db2.gz OJNACHLJDKKELK-OPEKNORGSA-N 0 0 429.432 5.808 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000027547489 557265233 /nfs/dbraw/zinc/26/52/33/557265233.db2.gz IIUOTKYMYVTEIO-HXUWFJFHSA-N 0 0 432.467 5.374 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(NC(=O)c4ccccc4)cnn3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000027562064 557265567 /nfs/dbraw/zinc/26/55/67/557265567.db2.gz LEPOKOHCWPBDRU-JOCHJYFZSA-N 0 0 446.938 5.447 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000820460 557267500 /nfs/dbraw/zinc/26/75/00/557267500.db2.gz JTIQQTDBHFYHSA-SANMLTNESA-N 0 0 443.543 6.175 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000101285120 557267603 /nfs/dbraw/zinc/26/76/03/557267603.db2.gz DQHQGHHKZDCYJW-RUZDIDTESA-N 0 0 446.595 5.905 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC(F)F ZINC000101284793 557267662 /nfs/dbraw/zinc/26/76/62/557267662.db2.gz SZGZIWUUEJACFQ-LJQANCHMSA-N 0 0 434.487 5.072 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000101286266 557267845 /nfs/dbraw/zinc/26/78/45/557267845.db2.gz GULLFLAQKKWZIN-XMMPIXPASA-N 0 0 435.543 6.368 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000101286285 557267967 /nfs/dbraw/zinc/26/79/67/557267967.db2.gz YFKFCZWLMGYMRR-VWLOTQADSA-N 0 0 447.579 6.238 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000101286294 557268003 /nfs/dbraw/zinc/26/80/03/557268003.db2.gz ZKTBALKEUPJCNQ-DEOSSOPVSA-N 0 0 435.543 6.368 50 30 IKEARN CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1 ZINC000008383716 557268832 /nfs/dbraw/zinc/26/88/32/557268832.db2.gz KPCYFTMFPHNVDZ-ZBJSNUHESA-N 0 0 428.572 7.782 50 30 IKEARN CCCCCCCCCCCNc1c(CCCC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000100693292 557270131 /nfs/dbraw/zinc/27/01/31/557270131.db2.gz UODXDQMZUTUBOD-UHFFFAOYSA-N 0 0 432.656 7.953 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Br)cc1 ZINC000000830033 557272587 /nfs/dbraw/zinc/27/25/87/557272587.db2.gz DGVQUIVMQBNTKQ-PZJWPPBQSA-N 0 0 434.333 5.491 50 30 IKEARN CCCCCCCCCCCCCCCCCC1=Nc2cc(C)c(C)cc2NC(=O)C1 ZINC000100758598 557275940 /nfs/dbraw/zinc/27/59/40/557275940.db2.gz MKJKUEHPZFTIMK-UHFFFAOYSA-N 0 0 426.689 8.980 50 30 IKEARN COc1ccc(Cl)cc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 ZINC000101363992 557277132 /nfs/dbraw/zinc/27/71/32/557277132.db2.gz IRDIYIBIRAATJW-UHFFFAOYSA-N 0 0 429.825 6.544 50 30 IKEARN Cc1cccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000100971578 557279970 /nfs/dbraw/zinc/27/99/70/557279970.db2.gz ZRCJIXRZXOCBDR-PSCYQSDVSA-N 0 0 429.545 5.468 50 30 IKEARN COc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1Cl ZINC000101091755 557282745 /nfs/dbraw/zinc/28/27/45/557282745.db2.gz OVVWNDSODUYOKU-UHFFFAOYSA-N 0 0 429.825 6.544 50 30 IKEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1 ZINC000101513546 557293417 /nfs/dbraw/zinc/29/34/17/557293417.db2.gz MKGALFJXTVPANF-FTIPTLOASA-N 0 0 431.355 5.254 50 30 IKEARN CCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101507669 557293487 /nfs/dbraw/zinc/29/34/87/557293487.db2.gz DPQZQCCRBBTKJP-UHFFFAOYSA-N 0 0 432.649 7.928 50 30 IKEARN C(=N/c1ccccc1)\C1=C(c2ccccc2)S[C@H](c2ccccc2)C(Cc2ccccc2)=C1 ZINC000101670023 557294785 /nfs/dbraw/zinc/29/47/85/557294785.db2.gz YNKQRWKIVXESQW-VZAHMOCCSA-N 0 0 443.615 8.457 50 30 IKEARN CCCCCCCCCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1 ZINC000102078986 557298518 /nfs/dbraw/zinc/29/85/18/557298518.db2.gz AYVPSHFJZDNOFB-DEOSSOPVSA-N 0 0 449.595 5.818 50 30 IKEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000101855457 557300826 /nfs/dbraw/zinc/30/08/26/557300826.db2.gz KAHOQLSJMYOJGP-STZFKDTASA-N 0 0 444.443 5.040 50 30 IKEARN Cc1cc2c(cc1/C=N\c1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2 ZINC000102789253 557308402 /nfs/dbraw/zinc/30/84/02/557308402.db2.gz FFCURMFIGBFHIR-VYYCAZPPSA-N 0 0 432.545 5.345 50 30 IKEARN COc1ccccc1-n1c(=S)ss/c1=N\C(=N\c1ccccc1)c1ccccc1 ZINC000101973154 557309466 /nfs/dbraw/zinc/30/94/66/557309466.db2.gz WZPNTZCQCFDFLM-PQBHCXAESA-N 0 0 435.599 6.018 50 30 IKEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000002840461 557311141 /nfs/dbraw/zinc/31/11/41/557311141.db2.gz KFHWGXHBYJLNJS-UHFFFAOYSA-N 0 0 427.529 5.040 50 30 IKEARN O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002820071 557312494 /nfs/dbraw/zinc/31/24/94/557312494.db2.gz ZIYNVZDYXRHSCO-UHFFFAOYSA-N 0 0 434.461 5.068 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000002849432 557313065 /nfs/dbraw/zinc/31/30/65/557313065.db2.gz YTXHSGWEYYTSOK-UHFFFAOYSA-N 0 0 437.327 5.308 50 30 IKEARN COc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccc(Cl)cc2)cc1 ZINC000100117589 557314906 /nfs/dbraw/zinc/31/49/06/557314906.db2.gz IUDYNTLFXDEGGH-MOKCZAGSSA-N 0 0 444.962 6.304 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000002861754 557315860 /nfs/dbraw/zinc/31/58/60/557315860.db2.gz RJPBTZFJAQJMLE-MRXNPFEDSA-N 0 0 426.973 5.209 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)ccc2C)c(C)n1 ZINC000032972877 557319749 /nfs/dbraw/zinc/31/97/49/557319749.db2.gz YGTKJDUOILVOKE-UHFFFAOYSA-N 0 0 435.547 5.064 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c1C ZINC000032973233 557319792 /nfs/dbraw/zinc/31/97/92/557319792.db2.gz SFFXZCFKVSPIBR-UHFFFAOYSA-N 0 0 445.611 5.194 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102401891 557320888 /nfs/dbraw/zinc/32/08/88/557320888.db2.gz OGZLREXKACVGNC-SBXHHDGASA-N 0 0 445.946 6.398 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102401971 557320900 /nfs/dbraw/zinc/32/09/00/557320900.db2.gz KSLNEJOAAJBDPU-ZCCPQQFYSA-N 0 0 425.528 5.474 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102401892 557321079 /nfs/dbraw/zinc/32/10/79/557321079.db2.gz OGZLREXKACVGNC-NXLSWJSLSA-N 0 0 445.946 6.398 50 30 IKEARN C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)cc2)cc1OCC ZINC000002860844 557323362 /nfs/dbraw/zinc/32/33/62/557323362.db2.gz DWIADNCTRTYKSW-UHFFFAOYSA-N 0 0 447.373 5.619 50 30 aggregator IKEARN C=CCN1C(=O)/C(=C\c2ccccc2OC[C@@H](C)COc2ccccc2)SC1=S ZINC000002847970 557325046 /nfs/dbraw/zinc/32/50/46/557325046.db2.gz JQZSDQWCPXHKOE-JPOGYNCRSA-N 0 0 425.575 5.168 50 30 IKEARN Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)o2)cc1Cl ZINC000033347648 557333818 /nfs/dbraw/zinc/33/38/18/557333818.db2.gz RMJKYYMMAZHFKE-YBFXNURJSA-N 0 0 429.328 6.453 50 30 IKEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)CC(C)(C)CC1=O ZINC000100140103 557333913 /nfs/dbraw/zinc/33/39/13/557333913.db2.gz GTPOHGYCKBLNLH-UHFFFAOYSA-N 0 0 436.474 5.129 50 30 IKEARN Cc1ccc(Sc2nc(-c3ccccc3)[nH]c2C=Nc2cccc(C(F)(F)F)c2)cc1 ZINC000100143796 557334167 /nfs/dbraw/zinc/33/41/67/557334167.db2.gz FWCZZUHFIYRBKN-RWPZCVJISA-N 0 0 437.490 7.306 50 30 IKEARN COc1ccc(-c2nc(/N=C\c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014406263 557337492 /nfs/dbraw/zinc/33/74/92/557337492.db2.gz RSAOEYAJYLAAKS-OYKKKHCWSA-N 0 0 431.473 5.850 50 30 IKEARN CCc1ccc(NC=CC(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000100161211 557338749 /nfs/dbraw/zinc/33/87/49/557338749.db2.gz PGGMBRRMXMNRAX-OUKQBFOZSA-N 0 0 426.343 6.943 50 30 IKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc(Br)cc3)c(-c3ccccc3)c2c1 ZINC000033411225 557338755 /nfs/dbraw/zinc/33/87/55/557338755.db2.gz VPOOTIZUKSQPMW-GXDHUFHOSA-N 0 0 444.328 6.162 50 30 IKEARN N#Cc1ccc(C(=O)Nc2cccc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)c2)cc1 ZINC000263639700 557340080 /nfs/dbraw/zinc/34/00/80/557340080.db2.gz DYVQVXYESFCJEC-UHFFFAOYSA-N 0 0 440.812 5.797 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102535852 557345207 /nfs/dbraw/zinc/34/52/07/557345207.db2.gz LHBNCNIDBBNVIY-JBCNATCCSA-N 0 0 448.862 5.183 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102536710 557345743 /nfs/dbraw/zinc/34/57/43/557345743.db2.gz MZSMBVNVHXRFAN-CVCLFZMUSA-N 0 0 439.939 5.064 50 30 IKEARN Cc1ccc2sc(-c3ccc(/N=C/c4cc(C)cc(Br)c4O)cc3)nc2c1 ZINC000003113030 557347114 /nfs/dbraw/zinc/34/71/14/557347114.db2.gz UVKBLMZBHLJRFO-WYMPLXKRSA-N 0 0 437.362 6.799 50 30 IKEARN CCCCn1c(/N=C/c2ccccc2Cl)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176604 557347716 /nfs/dbraw/zinc/34/77/16/557347716.db2.gz BMURNLAVBXYSJY-AJBULDERSA-N 0 0 437.974 7.898 50 30 IKEARN CCCCn1c(/N=C/c2ccc(OC)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176688 557347755 /nfs/dbraw/zinc/34/77/55/557347755.db2.gz MQGCWLKJWMTVCH-NJZRLIGZSA-N 0 0 433.555 7.253 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000102542088 557348450 /nfs/dbraw/zinc/34/84/50/557348450.db2.gz PSLUQRXRSBXHTG-JBCNATCCSA-N 0 0 444.487 5.370 50 30 IKEARN CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n(-c2ccc(C#N)cc2)n1 ZINC000023426887 557353759 /nfs/dbraw/zinc/35/37/59/557353759.db2.gz LCLIOLWIPGYONJ-UHFFFAOYSA-N 0 0 430.405 5.452 50 30 IKEARN Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@H](C)C3)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023428789 557354800 /nfs/dbraw/zinc/35/48/00/557354800.db2.gz GQJFOHAWFTVEQG-QFIPXVFZSA-N 0 0 439.603 6.018 50 30 IKEARN C=C(C)CN(CC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 ZINC000023428525 557354860 /nfs/dbraw/zinc/35/48/60/557354860.db2.gz CLFFJRLRMBKLBF-UHFFFAOYSA-N 0 0 431.536 5.063 50 30 IKEARN Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H](C)C3)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023428784 557354873 /nfs/dbraw/zinc/35/48/73/557354873.db2.gz GQJFOHAWFTVEQG-JOCHJYFZSA-N 0 0 439.603 6.018 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H]1SC2c3ccccc3C1c1ccccc12 ZINC000102579517 557355130 /nfs/dbraw/zinc/35/51/30/557355130.db2.gz QJNFXQRNAOKHEU-YMAMQOFZSA-N 0 0 442.346 6.805 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102586959 557356131 /nfs/dbraw/zinc/35/61/31/557356131.db2.gz QCSDCGJXIZDHRH-HOGKFDNTSA-N 0 0 449.934 5.852 50 30 IKEARN CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000023451821 557357345 /nfs/dbraw/zinc/35/73/45/557357345.db2.gz OZCVHGHABQKEGM-SANMLTNESA-N 0 0 444.556 5.436 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102601615 557357801 /nfs/dbraw/zinc/35/78/01/557357801.db2.gz PGFHTKZSXLUQRR-ZHHPLPSFSA-N 0 0 431.919 5.313 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000102624458 557359922 /nfs/dbraw/zinc/35/99/22/557359922.db2.gz BYABYNRGWUNXIM-HOGKFDNTSA-N 0 0 431.875 5.169 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102609744 557360664 /nfs/dbraw/zinc/36/06/64/557360664.db2.gz CKNKAYBXZNYPSZ-JBCNATCCSA-N 0 0 448.862 5.183 50 30 IKEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c2c1 ZINC000044167603 557365213 /nfs/dbraw/zinc/36/52/13/557365213.db2.gz GLVMUJAQJFWFBS-UHFFFAOYSA-N 0 0 434.927 5.014 50 30 IKEARN CC/N=C1/S/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC ZINC000100203510 557366582 /nfs/dbraw/zinc/36/65/82/557366582.db2.gz JFBIQWUQAAUWBX-JKDHJYAGSA-N 0 0 428.863 5.931 50 30 IKEARN CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\c2cccc3ncccc23)N(C)C1=O ZINC000100202143 557366594 /nfs/dbraw/zinc/36/65/94/557366594.db2.gz MLYQSWJIORZOBV-QWLBQPIGSA-N 0 0 444.585 5.785 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 ZINC000102720578 557368728 /nfs/dbraw/zinc/36/87/28/557368728.db2.gz CZGHKPKGYRKNFM-HOGKFDNTSA-N 0 0 440.524 5.485 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 ZINC000102721274 557368855 /nfs/dbraw/zinc/36/88/55/557368855.db2.gz DRSYIQCDSLXEDX-MRJHHRETSA-N 0 0 444.512 5.386 50 30 IKEARN CCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(CC)cc3)S2)cc1 ZINC000011690583 557369860 /nfs/dbraw/zinc/36/98/60/557369860.db2.gz HOBDPAANGFGAPM-HXTHCWADSA-N 0 0 437.609 5.372 50 30 IKEARN CCCCCCCCOc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000102739128 557380241 /nfs/dbraw/zinc/38/02/41/557380241.db2.gz GVESSIJGULWZFX-XMMPIXPASA-N 0 0 432.029 7.166 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000033925804 557385362 /nfs/dbraw/zinc/38/53/62/557385362.db2.gz FMMOZPPXADXNAA-USMIYEOCSA-N 0 0 448.361 5.222 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1 ZINC000102804446 557386334 /nfs/dbraw/zinc/38/63/34/557386334.db2.gz AJLACHGHSQMVBT-YDJIHCHBSA-N 0 0 446.553 5.547 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102804588 557386487 /nfs/dbraw/zinc/38/64/87/557386487.db2.gz FLFRERCQPCCDRT-MRJHHRETSA-N 0 0 444.512 5.386 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 ZINC000102805145 557386854 /nfs/dbraw/zinc/38/68/54/557386854.db2.gz HGMBSJAACADSDG-YDJIHCHBSA-N 0 0 430.485 5.078 50 30 IKEARN CCOc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1 ZINC000100242772 557389334 /nfs/dbraw/zinc/38/93/34/557389334.db2.gz OGGDUGLWAWCOEE-AFUMVMLFSA-N 0 0 444.756 6.548 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102799492 557389745 /nfs/dbraw/zinc/38/97/45/557389745.db2.gz OHNABPLQJBPFML-MRJHHRETSA-N 0 0 448.544 5.292 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102801311 557390924 /nfs/dbraw/zinc/39/09/24/557390924.db2.gz MCFRKMOPESMPQG-HOGKFDNTSA-N 0 0 431.875 5.169 50 30 IKEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102802893 557391251 /nfs/dbraw/zinc/39/12/51/557391251.db2.gz LIPAXNJFABKUHE-GHNGSUTGSA-N 0 0 445.327 5.072 50 30 IKEARN CN(C)C=NC(=O)[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000100256129 557395980 /nfs/dbraw/zinc/39/59/80/557395980.db2.gz HYVHLYUDGMAOET-TVYAFPLLSA-N 0 0 439.342 5.473 50 30 IKEARN Cn1c2ccccc2c(/C=N/c2ccc(Cl)cc2)c1Oc1cccc(C(F)(F)F)c1 ZINC000100265814 557396945 /nfs/dbraw/zinc/39/69/45/557396945.db2.gz ZOBPGPXJWNCDRF-CCVNUDIWSA-N 0 0 428.841 7.393 50 30 IKEARN COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000100298086 557398568 /nfs/dbraw/zinc/39/85/68/557398568.db2.gz YNYOPHJNYDOHFX-HUOZHCEOSA-N 0 0 430.529 5.074 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(C#N)cc1 ZINC000102857498 557398789 /nfs/dbraw/zinc/39/87/89/557398789.db2.gz NALGZXZFZNYTQS-HHHXNRCGSA-N 0 0 447.538 6.665 50 30 IKEARN O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000100330993 557400143 /nfs/dbraw/zinc/40/01/43/557400143.db2.gz BYFFOBTUCVRBOH-JZTLMNBPSA-N 0 0 435.310 6.364 50 30 IKEARN COc1ccc(/N=C2\c3cc(C)ccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000100346770 557400474 /nfs/dbraw/zinc/40/04/74/557400474.db2.gz GFMRIRCQPBRVQF-XTCLZLMSSA-N 0 0 425.315 5.978 50 30 IKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102860984 557401655 /nfs/dbraw/zinc/40/16/55/557401655.db2.gz HJUJNWSQBWVYSQ-HOGKFDNTSA-N 0 0 440.524 5.539 50 30 IKEARN O=C(C=CNc1ccc(I)cc1)c1cnc(-c2ccccc2)s1 ZINC000100419175 557402060 /nfs/dbraw/zinc/40/20/60/557402060.db2.gz NXDDUILOTWHCFG-ZHACJKMWSA-N 0 0 432.286 5.223 50 30 IKEARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cccc2C)cc1 ZINC000102861993 557402500 /nfs/dbraw/zinc/40/25/00/557402500.db2.gz WPFSWIYUIWYJLL-FBQPMGKKSA-N 0 0 429.472 5.026 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000100439819 557403332 /nfs/dbraw/zinc/40/33/32/557403332.db2.gz SRZSCRJSEZOMRE-NHFXJNLRSA-N 0 0 434.289 5.075 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1 ZINC000102864337 557403716 /nfs/dbraw/zinc/40/37/16/557403716.db2.gz ZUYXSMSVFBPRLK-MRJHHRETSA-N 0 0 444.487 5.370 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102876755 557406513 /nfs/dbraw/zinc/40/65/13/557406513.db2.gz TUTRMMMLFJNFFY-AYWGPLOBSA-N 0 0 426.516 5.001 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000102882306 557408452 /nfs/dbraw/zinc/40/84/52/557408452.db2.gz RNPXVCHPKMMSBO-QRQCRPRQSA-N 0 0 427.887 6.469 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)sc1C ZINC000102928312 557410488 /nfs/dbraw/zinc/41/04/88/557410488.db2.gz AIPXHOOUQFXYBZ-WOOAAIBNSA-N 0 0 438.936 5.348 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000102926895 557410544 /nfs/dbraw/zinc/41/05/44/557410544.db2.gz RLAGPHLQUNLSAP-HFEWCJDKSA-N 0 0 440.524 5.539 50 30 IKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000102928762 557410860 /nfs/dbraw/zinc/41/08/60/557410860.db2.gz CWFYZPLFQJOJOV-WOOAAIBNSA-N 0 0 428.271 5.208 50 30 IKEARN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257360752 557412714 /nfs/dbraw/zinc/41/27/14/557412714.db2.gz DOMWKUIIPQCAJU-DATQYPTJSA-N 0 0 428.613 5.970 50 30 IKEARN CCCCCCCCCCCCCC(=O)N1CCS[C@H]1c1cc(OC)ccc1OC ZINC000103000778 557415073 /nfs/dbraw/zinc/41/50/73/557415073.db2.gz BLPSQMIHQCCWPL-VWLOTQADSA-N 0 0 435.674 6.979 50 30 IKEARN CCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000102997942 557415084 /nfs/dbraw/zinc/41/50/84/557415084.db2.gz PJGXVAWVRSRVFI-LJQANCHMSA-N 0 0 428.602 5.275 50 30 IKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C[C@H]1CCCO1 ZINC000103000679 557415102 /nfs/dbraw/zinc/41/51/02/557415102.db2.gz CSBDKMOBKAWYRC-JOCHJYFZSA-N 0 0 449.636 5.630 50 30 IKEARN CCCCCCCCCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(C)C ZINC000102997779 557415151 /nfs/dbraw/zinc/41/51/51/557415151.db2.gz YHBBXKZNCDKMDP-UHFFFAOYSA-N 0 0 443.657 6.374 50 30 IKEARN CCCCCCCCS(=O)(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000103013429 557415401 /nfs/dbraw/zinc/41/54/01/557415401.db2.gz KFDSSMHTXZURHV-HSZRJFAPSA-N 0 0 440.609 6.322 50 30 IKEARN CCCCCCCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000102991162 557415774 /nfs/dbraw/zinc/41/57/74/557415774.db2.gz UBTZOPDANHLIQO-UHFFFAOYSA-N 0 0 447.572 5.445 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000033618412 557422225 /nfs/dbraw/zinc/42/22/25/557422225.db2.gz GDUBPGLBPMQIEE-UCQKPKSFSA-N 0 0 428.513 5.737 50 30 IKEARN CCCCCCCCOCC12CO[C@H](c3ccc(F)cc3)N1[C@@H](c1ccc(F)cc1)OC2 ZINC000103678693 557440114 /nfs/dbraw/zinc/44/01/14/557440114.db2.gz CVIAQUAIMWJTQD-JWQCQUIFSA-N 0 0 445.550 6.141 50 30 IKEARN COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C\C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000103971333 557446445 /nfs/dbraw/zinc/44/64/45/557446445.db2.gz ZXOVSPPEKNYKJJ-MHDUUTITSA-N 0 0 439.353 5.274 50 30 IKEARN COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C\C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000103971328 557446525 /nfs/dbraw/zinc/44/65/25/557446525.db2.gz ZXOVSPPEKNYKJJ-WQWKFTHLSA-N 0 0 439.353 5.274 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104101305 557450327 /nfs/dbraw/zinc/45/03/27/557450327.db2.gz RMIMPNSDTLFUQX-MRJHHRETSA-N 0 0 437.854 5.114 50 30 IKEARN C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000105022716 557473061 /nfs/dbraw/zinc/47/30/61/557473061.db2.gz KDWPIOPOLORVBC-SKCUWOTOSA-N 0 0 440.587 5.212 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 ZINC000000580180 557475956 /nfs/dbraw/zinc/47/59/56/557475956.db2.gz BMHURWSUBZKZTK-LJQANCHMSA-N 0 0 428.370 6.263 50 30 IKEARN Clc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3Cl)C23CO3)c(Cl)c1 ZINC000051330043 557497544 /nfs/dbraw/zinc/49/75/44/557497544.db2.gz DMTMKPWKVSZUIE-BVXMOGEKSA-N 0 0 426.170 7.720 50 30 IKEARN Cc1cc(C)cc(C#C/C=C\c2cc3c(-c4cc(C)cc(C)c4)cccc3c3ccccc23)c1 ZINC000214207383 557522913 /nfs/dbraw/zinc/52/29/13/557522913.db2.gz MTEFTDGYUVZCHJ-WDZFZDKYSA-N 0 0 436.598 8.959 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1cccc2ccccc21 ZINC000003166764 557531670 /nfs/dbraw/zinc/53/16/70/557531670.db2.gz RKHKMGBHAZFGNB-WGOQTCKBSA-N 0 0 430.301 6.572 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2)cc1 ZINC000044858795 557537953 /nfs/dbraw/zinc/53/79/53/557537953.db2.gz VGYLRCWJVYHHDT-QHCPKHFHSA-N 0 0 426.520 5.102 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2ccccc2Cl)C1 ZINC000044858734 557537961 /nfs/dbraw/zinc/53/79/61/557537961.db2.gz BGHYQLSWPWJYOO-JOCHJYFZSA-N 0 0 446.938 5.447 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2ccccc2Cl)C1 ZINC000044858731 557537981 /nfs/dbraw/zinc/53/79/81/557537981.db2.gz BGHYQLSWPWJYOO-QFIPXVFZSA-N 0 0 446.938 5.447 50 30 IKEARN Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccccc3)cnn21 ZINC000044858687 557538083 /nfs/dbraw/zinc/53/80/83/557538083.db2.gz VBWCYYYQVWBYBQ-HSZRJFAPSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000044858814 557538087 /nfs/dbraw/zinc/53/80/87/557538087.db2.gz MMRRFQVNMZCMQB-HSZRJFAPSA-N 0 0 426.520 5.102 50 30 IKEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 ZINC000044858992 557538300 /nfs/dbraw/zinc/53/83/00/557538300.db2.gz GBDIRQJVQJYWOC-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 ZINC000044859015 557538332 /nfs/dbraw/zinc/53/83/32/557538332.db2.gz BGSVWTIYZFRPOW-XMMPIXPASA-N 0 0 426.520 5.028 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000044859250 557538529 /nfs/dbraw/zinc/53/85/29/557538529.db2.gz NOCIDEHBIOFWPP-QFIPXVFZSA-N 0 0 432.911 5.119 50 30 IKEARN CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000013362170 557538843 /nfs/dbraw/zinc/53/88/43/557538843.db2.gz GGQIDQJAIYDGEX-BOCLCLQSSA-N 0 0 427.585 5.436 50 30 biogenic IKEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)cc1 ZINC000045940306 557548820 /nfs/dbraw/zinc/54/88/20/557548820.db2.gz YZGUTVVOQRALER-GOSISDBHSA-N 0 0 446.551 5.010 50 30 IKEARN CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C)c(C)c2)cc1 ZINC000045940329 557548858 /nfs/dbraw/zinc/54/88/58/557548858.db2.gz GYDXSLGWQHMPBK-UHFFFAOYSA-N 0 0 430.552 5.275 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 ZINC000002978063 557686733 /nfs/dbraw/zinc/68/67/33/557686733.db2.gz ZKKNTWLVCALTMT-HSZRJFAPSA-N 0 0 447.608 5.946 50 30 IKEARN CCOc1ccc2nc(SCC(=O)Nc3ccc4sc(C)nc4c3)c(C#N)cc2c1 ZINC000000862108 557835834 /nfs/dbraw/zinc/83/58/34/557835834.db2.gz MFNVZNHTMZWDDD-UHFFFAOYSA-N 0 0 434.546 5.154 50 30 IKEARN N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 ZINC000000865633 557839529 /nfs/dbraw/zinc/83/95/29/557839529.db2.gz DBSYBNNTKIBHEC-HOTGVXAUSA-N 0 0 445.832 5.321 50 30 IKEARN N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 ZINC000000865635 557839542 /nfs/dbraw/zinc/83/95/42/557839542.db2.gz DBSYBNNTKIBHEC-JKSUJKDBSA-N 0 0 445.832 5.321 50 30 IKEARN N#Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000005800906 557849174 /nfs/dbraw/zinc/84/91/74/557849174.db2.gz FVNUFSFLIJWVGT-RWEWTDSWSA-N 0 0 441.288 5.843 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000253501157 560038853 /nfs/dbraw/zinc/03/88/53/560038853.db2.gz UOCUEIOMIAYZNI-JNNMJWCVSA-N 0 0 428.613 5.468 50 30 biogenic,in-vitro IKEARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C ZINC000005195411 560201323 /nfs/dbraw/zinc/20/13/23/560201323.db2.gz QYIMSPSDBYKPPY-DLBGYGIOSA-N 0 0 426.729 9.816 50 30 in-vitro IKEARN COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(C#N)c1C ZINC000000669387 562918933 /nfs/dbraw/zinc/91/89/33/562918933.db2.gz GLSVKWAKZYLJCD-UHFFFAOYSA-N 0 0 427.485 5.182 50 30 IKEARN Cc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1 ZINC000000983552 562919885 /nfs/dbraw/zinc/91/98/85/562919885.db2.gz KUMNMCKEKMGNPU-UHFFFAOYSA-N 0 0 426.501 5.315 50 30 aggregator IKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cccnc3)C2)cc1 ZINC000001001502 562919971 /nfs/dbraw/zinc/91/99/71/562919971.db2.gz VQEAGRYMZHFYAX-HRFSGMKKSA-N 0 0 439.515 5.011 50 30 IKEARN C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1 ZINC000001079741 562920381 /nfs/dbraw/zinc/92/03/81/562920381.db2.gz LETQRGJZQHUQTM-UHFFFAOYSA-N 0 0 426.545 5.676 50 30 IKEARN N#Cc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)n2)cc1 ZINC000003375417 562935057 /nfs/dbraw/zinc/93/50/57/562935057.db2.gz XVWXPKINFLUORP-UHFFFAOYSA-N 0 0 438.537 6.211 50 30 IKEARN Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1 ZINC000003533897 562936430 /nfs/dbraw/zinc/93/64/30/562936430.db2.gz WAECGTWOOYRXNL-UHFFFAOYSA-N 0 0 434.590 5.453 50 30 aggregator IKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003671902 562937584 /nfs/dbraw/zinc/93/75/84/562937584.db2.gz NYARXXACJSSEKL-SBUREZEXSA-N 0 0 428.985 5.703 50 30 IKEARN Brc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000004552025 562943356 /nfs/dbraw/zinc/94/33/56/562943356.db2.gz IJYBZIUXKUAZCE-PCLIKHOPSA-N 0 0 429.321 6.019 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000006015221 562945892 /nfs/dbraw/zinc/94/58/92/562945892.db2.gz JAWWFVQQVILJMR-VWLOTQADSA-N 0 0 431.535 6.291 50 30 IKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21 ZINC000008426899 562949383 /nfs/dbraw/zinc/94/93/83/562949383.db2.gz FRJUSNJBEHTICZ-FLFKKZLDSA-N 0 0 438.526 7.785 50 30 IKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000008606776 562957125 /nfs/dbraw/zinc/95/71/25/562957125.db2.gz DHLIXXMVTHHQKG-UHFFFAOYSA-N 0 0 427.451 5.678 50 30 IKEARN CCCCOC(=O)c1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1 ZINC000008856949 562965256 /nfs/dbraw/zinc/96/52/56/562965256.db2.gz OESZIVKODCNPPK-UHFFFAOYSA-N 0 0 427.500 5.829 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000009007936 562966565 /nfs/dbraw/zinc/96/65/65/562966565.db2.gz FZEOTGVBCDNKDA-HXUWFJFHSA-N 0 0 430.485 5.289 50 30 IKEARN O=C(OCC#CCSc1nnc(-c2cccc3ccccc32)o1)c1ccc(Cl)cc1 ZINC000009209574 562968185 /nfs/dbraw/zinc/96/81/85/562968185.db2.gz ARXGQLDPZZWOCY-UHFFFAOYSA-N 0 0 434.904 5.496 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000009433197 562970850 /nfs/dbraw/zinc/97/08/50/562970850.db2.gz YEBLZTWALSQZMT-XZOQPEGZSA-N 0 0 429.545 5.195 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000009433198 562970854 /nfs/dbraw/zinc/97/08/54/562970854.db2.gz YEBLZTWALSQZMT-GOTSBHOMSA-N 0 0 429.545 5.195 50 30 IKEARN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000009720866 562976076 /nfs/dbraw/zinc/97/60/76/562976076.db2.gz BZLMOUWVCAOJSG-MTJSOVHGSA-N 0 0 432.505 5.202 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000012870139 562983294 /nfs/dbraw/zinc/98/32/94/562983294.db2.gz MQYXUWHLBZFQQO-HEQGEZKBSA-N 0 0 426.729 8.025 50 30 biogenic,in-vitro IKEARN C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CC/C=C(\C)CC[C@@H]1OC1(C)C ZINC000013509871 562991076 /nfs/dbraw/zinc/99/10/76/562991076.db2.gz KABSNIWLJXCBGG-OQSIWNGOSA-N 0 0 442.728 9.027 50 30 in-vitro IKEARN Cc1cccc(N2C(=O)S[C@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)c1 ZINC000013739576 563002956 /nfs/dbraw/zinc/00/29/56/563002956.db2.gz RNPHZSIDLTYYAZ-NRFANRHFSA-N 0 0 433.558 6.054 50 30 aggregator IKEARN C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O ZINC000014711629 563014921 /nfs/dbraw/zinc/01/49/21/563014921.db2.gz LTTQKYMNTNISSZ-MWTRTKDXSA-N 0 0 438.520 5.610 50 30 biogenic,in-vivo IKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1 ZINC000097967027 568615497 /nfs/dbraw/zinc/61/54/97/568615497.db2.gz VZSYPWDRMWQWJW-XLNRJJMWSA-N 0 0 443.012 6.971 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl ZINC000247754977 568617886 /nfs/dbraw/zinc/61/78/86/568617886.db2.gz VUAKNUODZRBLQK-DNVJHFABSA-N 0 0 441.943 5.686 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C#N)c1-c1ccc(C)cc1 ZINC000025143275 568639804 /nfs/dbraw/zinc/63/98/04/568639804.db2.gz LXVGPURCCSEBOD-UHFFFAOYSA-N 0 0 437.543 6.377 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2Cc1cccc(F)c1 ZINC000025142473 568639898 /nfs/dbraw/zinc/63/98/98/568639898.db2.gz AWUYEWDSNFNYHM-UHFFFAOYSA-N 0 0 445.519 5.564 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1ccc(C#N)cc1 ZINC000025142935 568640198 /nfs/dbraw/zinc/64/01/98/568640198.db2.gz LIZIBMMDNJRBMY-UHFFFAOYSA-N 0 0 437.543 6.377 50 30 IKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(C)c1 ZINC000000939696 568640641 /nfs/dbraw/zinc/64/06/41/568640641.db2.gz INXSGCDONIBKPE-UHFFFAOYSA-N 0 0 426.520 5.524 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C#N)cc2)c1-c1ccc(C#N)cc1 ZINC000025146575 568641234 /nfs/dbraw/zinc/64/12/34/568641234.db2.gz NOYFZQXWMBTZPN-UHFFFAOYSA-N 0 0 448.526 5.941 50 30 IKEARN C=CCn1c(SCc2cccc(C)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025161569 568646933 /nfs/dbraw/zinc/64/69/33/568646933.db2.gz HIIQOUXAWPPVHP-UHFFFAOYSA-N 0 0 448.595 6.947 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)c1C#N ZINC000000995660 568648236 /nfs/dbraw/zinc/64/82/36/568648236.db2.gz WPTJWOGAVGZBRN-UHFFFAOYSA-N 0 0 427.529 5.967 50 30 IKEARN CC1=CN2[C@H](c3ccccc31)C(C#N)(C#N)[C@H](c1cccc(F)c1)[C@H]2C(=O)c1ccccc1 ZINC000001022234 568653254 /nfs/dbraw/zinc/65/32/54/568653254.db2.gz YKULJWZFIDEUIU-CMTIAEDTSA-N 0 0 433.486 5.626 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN(Cc3ccccc3)Cc3ccccc3)sc2C1 ZINC000001036512 568653721 /nfs/dbraw/zinc/65/37/21/568653721.db2.gz QRNONDXEJHGLFS-LJQANCHMSA-N 0 0 429.589 5.385 50 30 IKEARN N#Cc1c(OCC(=O)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)cc1-c1cccs1 ZINC000001035608 568653764 /nfs/dbraw/zinc/65/37/64/568653764.db2.gz TYVKYMISJFYYLC-UHFFFAOYSA-N 0 0 441.468 5.519 50 30 IKEARN CSc1c(C#N)c(-c2cccs2)nn1CNC(=O)Nc1ccccc1C(F)(F)F ZINC000001037395 568653797 /nfs/dbraw/zinc/65/37/97/568653797.db2.gz MYOMUPFKDPQJRB-UHFFFAOYSA-N 0 0 437.472 5.003 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(-c3cccs3)c2C#N)nc1 ZINC000001056214 568654054 /nfs/dbraw/zinc/65/40/54/568654054.db2.gz RXJQMPCEWLEYON-UHFFFAOYSA-N 0 0 434.468 5.135 50 30 IKEARN COc1ccc(-c2csc(NC(=O)c3c(C)onc3-c3ccccc3)c2C#N)cc1OC ZINC000001056597 568654669 /nfs/dbraw/zinc/65/46/69/568654669.db2.gz RVFPCJWZJRQRAJ-UHFFFAOYSA-N 0 0 445.500 5.520 50 30 IKEARN Cc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cc(Br)ccc3n2)cc1 ZINC000001073846 568654703 /nfs/dbraw/zinc/65/47/03/568654703.db2.gz ZPDKASZRHSCFBV-UHFFFAOYSA-N 0 0 448.345 6.158 50 30 IKEARN COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000001069853 568655488 /nfs/dbraw/zinc/65/54/88/568655488.db2.gz DLBWWWZMDZWVOO-UHFFFAOYSA-N 0 0 426.925 5.730 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3cc(C)c([N+](=O)[O-])cc3C)o2)c(=O)n(-c2ccccc2)n1C ZINC000001061555 568655869 /nfs/dbraw/zinc/65/58/69/568655869.db2.gz BNFMYPUFWPKDLP-AFUMVMLFSA-N 0 0 430.464 5.020 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)NC1CC1 ZINC000001065607 568655997 /nfs/dbraw/zinc/65/59/97/568655997.db2.gz SNALJFXDKBFKCA-LSFURLLWSA-N 0 0 436.389 5.724 50 30 IKEARN Cc1ccc(NC2=C(C(=O)c3ccco3)[C@H](c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001076110 568656816 /nfs/dbraw/zinc/65/68/16/568656816.db2.gz OBXAAWFCOTYJHK-SANMLTNESA-N 0 0 434.495 5.925 50 30 IKEARN CCOc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001080214 568657039 /nfs/dbraw/zinc/65/70/39/568657039.db2.gz LUHXGQBPZJLMON-RBTNQOKQSA-N 0 0 446.550 6.592 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000001080691 568657227 /nfs/dbraw/zinc/65/72/27/568657227.db2.gz SQLADVRSVCXJAH-XMMPIXPASA-N 0 0 425.488 5.225 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001097817 568658695 /nfs/dbraw/zinc/65/86/95/568658695.db2.gz PHBSIRLDUCKWOM-DEOSSOPVSA-N 0 0 426.516 5.292 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Br)cccc34)sc2C1 ZINC000001127678 568659766 /nfs/dbraw/zinc/65/97/66/568659766.db2.gz NFVHGMOUROWBMV-LBPRGKRZSA-N 0 0 425.351 5.913 50 30 IKEARN O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21 ZINC000001149633 568662429 /nfs/dbraw/zinc/66/24/29/568662429.db2.gz FQTBATMWPPXGOH-CPRQQSDPSA-N 0 0 433.507 5.247 50 30 IKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccc(Br)o1 ZINC000001165312 568664635 /nfs/dbraw/zinc/66/46/35/568664635.db2.gz DJLKLTPGRDBWDI-BOPFTXTBSA-N 0 0 427.275 5.591 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S ZINC000001165806 568664684 /nfs/dbraw/zinc/66/46/84/568664684.db2.gz DRGHAVSWFHPYRO-STZFKDTASA-N 0 0 431.586 5.543 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000001197983 568736725 /nfs/dbraw/zinc/73/67/25/568736725.db2.gz HWDIOQVTFRUWJI-ZXYASIKESA-N 0 0 440.455 5.086 50 30 IKEARN CC(C)Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000005944673 568739223 /nfs/dbraw/zinc/73/92/23/568739223.db2.gz LXAPIBVDKDUBHI-WPWMEQJKSA-N 0 0 445.588 5.201 50 30 IKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1 ZINC000005977490 568739680 /nfs/dbraw/zinc/73/96/80/568739680.db2.gz YRGLKFYABDJLHS-BKSPAHHJSA-N 0 0 426.626 7.026 50 30 IKEARN C#CCOc1nc(F)c(Cl)c2c1Oc1cc(Br)c(Br)cc1O2 ZINC000001902305 568742257 /nfs/dbraw/zinc/74/22/57/568742257.db2.gz JWSBDNZFDDYDCE-UHFFFAOYSA-N 0 0 449.457 5.309 50 30 IKEARN N#C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000012526610 568742550 /nfs/dbraw/zinc/74/25/50/568742550.db2.gz MQMNMFLOTFXECD-OZXSUGGESA-N 0 0 431.967 5.002 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C3c4ccccc4Oc4ccccc43)sc2C1 ZINC000002081835 568742570 /nfs/dbraw/zinc/74/25/70/568742570.db2.gz HGVVCJMXERAYRS-INIZCTEOSA-N 0 0 442.584 6.647 50 30 IKEARN COc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1 ZINC000003300701 568745504 /nfs/dbraw/zinc/74/55/04/568745504.db2.gz SADHRQDADJZCDP-UHFFFAOYSA-N 0 0 437.503 5.468 50 30 IKEARN C=CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003433646 568749468 /nfs/dbraw/zinc/74/94/68/568749468.db2.gz MDYPZPDZGSUGSY-UHFFFAOYSA-N 0 0 434.304 5.858 50 30 IKEARN C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003627461 568751823 /nfs/dbraw/zinc/75/18/23/568751823.db2.gz KXNMAIAKSBGCKU-QKKBWIMNSA-N 0 0 435.014 5.765 50 30 IKEARN CC(Nc1ccccc1)=C1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000003620948 568751873 /nfs/dbraw/zinc/75/18/73/568751873.db2.gz NXPSCNHCWFSEKP-WVWWYIFQSA-N 0 0 444.372 7.625 50 30 IKEARN CCCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000003629011 568751929 /nfs/dbraw/zinc/75/19/29/568751929.db2.gz QAGHSTAHQODNSJ-OAHLLOKOSA-N 0 0 445.585 5.343 50 30 IKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1 ZINC000003659774 568752872 /nfs/dbraw/zinc/75/28/72/568752872.db2.gz HGNPWTPPIXHBOA-UHFFFAOYSA-N 0 0 441.527 5.866 50 30 IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 ZINC000003664882 568753642 /nfs/dbraw/zinc/75/36/42/568753642.db2.gz CWPKVJRKDYJFFN-MUDYCTQHSA-N 0 0 433.382 7.879 50 30 IKEARN C=CCc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000003660974 568753892 /nfs/dbraw/zinc/75/38/92/568753892.db2.gz HPLVLGURSHDTID-JVWAILMASA-N 0 0 434.377 7.124 50 30 IKEARN Clc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)c(Cl)c1 ZINC000031854535 568758492 /nfs/dbraw/zinc/75/84/92/568758492.db2.gz VQRATKFZUBQMEW-ZBKNUEDVSA-N 0 0 427.154 6.325 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000004027529 568758944 /nfs/dbraw/zinc/75/89/44/568758944.db2.gz UOCUEIOMIAYZNI-CQYYKXISSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C1=O)cn2C ZINC000263584852 568758977 /nfs/dbraw/zinc/75/89/77/568758977.db2.gz BOVLCVNHEUDVOJ-GRKWUUPQSA-N 0 0 431.488 5.242 50 30 biogenic IKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O ZINC000263586473 568759518 /nfs/dbraw/zinc/75/95/18/568759518.db2.gz UTXXZOLHNGBYPU-CFKHXJFWSA-N 0 0 449.462 5.301 50 30 biogenic IKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cccnc3)C2)cc1 ZINC000004035916 568759704 /nfs/dbraw/zinc/75/97/04/568759704.db2.gz CQFWKIXFDAHDJB-DFHRPNOPSA-N 0 0 449.554 5.701 50 30 IKEARN COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001235740 568762352 /nfs/dbraw/zinc/76/23/52/568762352.db2.gz MEVSHNUCCHKUCQ-JTUXUYRKSA-N 0 0 446.528 5.521 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(F)cc1 ZINC000004105619 568775403 /nfs/dbraw/zinc/77/54/03/568775403.db2.gz ZUGRIJCPIJANTG-NPGCFZLRSA-N 0 0 447.560 6.313 50 30 IKEARN CN1c2ccccc2S/C1=C1\S/C(=N\Cc2ccccc2)N(c2ccc(F)cc2)C1=O ZINC000004105639 568775449 /nfs/dbraw/zinc/77/54/49/568775449.db2.gz RFEVNYPIKBENJP-NPGCFZLRSA-N 0 0 447.560 5.873 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1 ZINC000004105624 568775466 /nfs/dbraw/zinc/77/54/66/568775466.db2.gz FXWQUBPOHIDIGV-NPGCFZLRSA-N 0 0 447.560 6.313 50 30 IKEARN COc1ccc(N=C(N2CCCCC2)[P@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1 ZINC000263621579 568778331 /nfs/dbraw/zinc/77/83/31/568778331.db2.gz CVZBIJNKNBIRMM-WJOKGBTCSA-N 0 0 448.592 5.966 50 30 IKEARN C=CCn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC(C)(C)SC3 ZINC000001295589 568778627 /nfs/dbraw/zinc/77/86/27/568778627.db2.gz SMAMKPXYTTVUED-UHFFFAOYSA-N 0 0 444.647 5.513 50 30 IKEARN COc1c(Br)cc(Br)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000004133085 568781267 /nfs/dbraw/zinc/78/12/67/568781267.db2.gz ANEHNMDAGHNGFH-QGMBQPNBSA-N 0 0 441.148 5.276 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 ZINC000001414684 568790271 /nfs/dbraw/zinc/79/02/71/568790271.db2.gz CNOCCSRKDOGPAD-RUZDIDTESA-N 0 0 436.511 5.297 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccccc1C ZINC000001416212 568790503 /nfs/dbraw/zinc/79/05/03/568790503.db2.gz ADNVSXDVQBDWNQ-YEUWRSSNSA-N 0 0 448.375 5.448 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N\c1cc(C)ccc1C ZINC000001416228 568790588 /nfs/dbraw/zinc/79/05/88/568790588.db2.gz NWBGBTNMXMVFRS-WTVYTQLBSA-N 0 0 435.593 5.375 50 30 IKEARN CN(C)c1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000001421740 568793162 /nfs/dbraw/zinc/79/31/62/568793162.db2.gz CKRGZYBCQPGMIS-NFQMXDRXSA-N 0 0 434.539 6.457 50 30 IKEARN CC(=O)C1=C(C)N[C@H](c2ccc(Cl)cc2Cl)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000019202040 568793976 /nfs/dbraw/zinc/79/39/76/568793976.db2.gz ILQVPHGLJPFAMX-MOPGFXCFSA-N 0 0 430.162 6.096 50 30 IKEARN CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001429782 568794317 /nfs/dbraw/zinc/79/43/17/568794317.db2.gz XMIISBOWIQSXLS-YJBOKZPZSA-N 0 0 429.347 5.187 50 30 IKEARN CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001429781 568794318 /nfs/dbraw/zinc/79/43/18/568794318.db2.gz XMIISBOWIQSXLS-MAUKXSAKSA-N 0 0 429.347 5.187 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccccc1 ZINC000001429560 568794395 /nfs/dbraw/zinc/79/43/95/568794395.db2.gz IHGYYADFBJAGFF-GOSISDBHSA-N 0 0 430.573 5.662 50 30 IKEARN COc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 ZINC000001430893 568794586 /nfs/dbraw/zinc/79/45/86/568794586.db2.gz YHTBTTRBHANPDE-SFHVURJKSA-N 0 0 432.545 5.035 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000001430962 568794656 /nfs/dbraw/zinc/79/46/56/568794656.db2.gz LATHMBIBTZXTOU-OBDYRVMHSA-N 0 0 433.486 5.544 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@H]2c1ccccc1 ZINC000001430165 568794717 /nfs/dbraw/zinc/79/47/17/568794717.db2.gz TWQHCAPSVFNBOC-IBGZPJMESA-N 0 0 444.600 6.052 50 30 IKEARN N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1 ZINC000084583261 568798970 /nfs/dbraw/zinc/79/89/70/568798970.db2.gz NYBCDIGZGKTETQ-AWEZNQCLSA-N 0 0 433.265 5.003 50 30 IKEARN C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000084638138 568799373 /nfs/dbraw/zinc/79/93/73/568799373.db2.gz BLTIHWGPYWAVMY-HXUWFJFHSA-N 0 0 431.458 5.380 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1cccc(Cl)c1 ZINC000100504626 568803590 /nfs/dbraw/zinc/80/35/90/568803590.db2.gz ARUREGWTVFLOKD-IMVLJIQESA-N 0 0 445.975 6.541 50 30 IKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)c1 ZINC000001439853 568804534 /nfs/dbraw/zinc/80/45/34/568804534.db2.gz WZOYIUBDCZQEMK-HFJWLAOPSA-N 0 0 430.935 6.328 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(CCC=C(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000008452650 568812911 /nfs/dbraw/zinc/81/29/11/568812911.db2.gz VFNQPQLDBNDLTA-VAXXYWNWSA-N 0 0 448.636 6.666 50 30 IKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C(C)(C)C)C3 ZINC000008432067 568813158 /nfs/dbraw/zinc/81/31/58/568813158.db2.gz JQHKDFZWAHJFST-HNNXBMFYSA-N 0 0 440.634 5.885 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009307994 568818204 /nfs/dbraw/zinc/81/82/04/568818204.db2.gz CAZJAXJYRUJWTK-UHFFFAOYSA-N 0 0 449.624 5.225 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cc2ccccc2o1 ZINC000009260882 568818234 /nfs/dbraw/zinc/81/82/34/568818234.db2.gz UQUGPFBQPXCJMS-UHFFFAOYSA-N 0 0 434.521 5.007 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1 ZINC000009307687 568818424 /nfs/dbraw/zinc/81/84/24/568818424.db2.gz ICJXFUSADYNFLR-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccc(OC)cc1 ZINC000009500127 568819006 /nfs/dbraw/zinc/81/90/06/568819006.db2.gz GCLOHTQTTGDKKA-QGZVFWFLSA-N 0 0 436.581 5.384 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000001455683 568819166 /nfs/dbraw/zinc/81/91/66/568819166.db2.gz FEHGALZIAVUEEC-OAQYLSRUSA-N 0 0 444.512 5.543 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000001455682 568819216 /nfs/dbraw/zinc/81/92/16/568819216.db2.gz FEHGALZIAVUEEC-NRFANRHFSA-N 0 0 444.512 5.543 50 30 IKEARN CC1=NN(c2ccccc2)C(=O)/C1=C1\OC(c2ccccc2)=C(C(=O)c2ccccc2)S1 ZINC000085428992 568820001 /nfs/dbraw/zinc/82/00/01/568820001.db2.gz ZVUDDBULJVDKPH-YYADALCUSA-N 0 0 438.508 5.636 50 30 IKEARN CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000006075289 568820647 /nfs/dbraw/zinc/82/06/47/568820647.db2.gz RYHCNYOWNHBIFP-UHFFFAOYSA-N 0 0 431.517 5.801 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)SC1=S ZINC000013895859 568824230 /nfs/dbraw/zinc/82/42/30/568824230.db2.gz CQZFZPYXZWRERE-KGENOOAVSA-N 0 0 425.575 5.360 50 30 IKEARN C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000013898574 568824257 /nfs/dbraw/zinc/82/42/57/568824257.db2.gz KOFFAKITKZDDMI-HAHDFKILSA-N 0 0 431.513 5.650 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O ZINC000013941741 568824525 /nfs/dbraw/zinc/82/45/25/568824525.db2.gz KHDQWVJXNZMYPA-XDHOZWIPSA-N 0 0 442.334 5.006 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000001481045 568824600 /nfs/dbraw/zinc/82/46/00/568824600.db2.gz MAZMYUIRJFIAFD-NGOKVRLYSA-N 0 0 440.518 6.055 50 30 IKEARN C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1SC(=S)NC1=O ZINC000013942405 568824735 /nfs/dbraw/zinc/82/47/35/568824735.db2.gz FUCVNNBMKSFKFK-CPNJWEJPSA-N 0 0 442.518 5.110 50 30 IKEARN C=CCN(Cc1ccc(Br)s1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000014071334 568824749 /nfs/dbraw/zinc/82/47/49/568824749.db2.gz PQLDUCXWNNVWHT-UHFFFAOYSA-N 0 0 449.443 5.165 50 30 IKEARN C=CCOc1ccc(CN(C)[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 ZINC000014093188 568824814 /nfs/dbraw/zinc/82/48/14/568824814.db2.gz TWJFKMXPIDEABY-SANMLTNESA-N 0 0 428.532 5.266 50 30 IKEARN C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000013914967 568824826 /nfs/dbraw/zinc/82/48/26/568824826.db2.gz DODPBQFRKSZQEO-PDGQHHTCSA-N 0 0 431.717 5.473 50 30 IKEARN C=CCn1c(SCC(=O)c2cccc3ccccc32)nnc1[C@H]1COc2ccccc2O1 ZINC000014141884 568824969 /nfs/dbraw/zinc/82/49/69/568824969.db2.gz JZBFCHKJWBTICL-HSZRJFAPSA-N 0 0 443.528 5.105 50 30 IKEARN C=CCCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@@H]2CCOC2)C1 ZINC000014966050 568827632 /nfs/dbraw/zinc/82/76/32/568827632.db2.gz HNNODYHRTBGTRI-HXUWFJFHSA-N 0 0 449.572 5.423 50 30 IKEARN O=C(C=CNc1ccccc1NS(=O)(=O)Cc1ccccc1)c1cccc2ccccc21 ZINC000006110641 568828528 /nfs/dbraw/zinc/82/85/28/568828528.db2.gz ZEJGIGFNRJDNIW-ISLYRVAYSA-N 0 0 442.540 5.590 50 30 IKEARN C=CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)N=C3C)o2)cc1 ZINC000016115955 568829227 /nfs/dbraw/zinc/82/92/27/568829227.db2.gz KDKUDKHEJXMNLI-JCMHNJIXSA-N 0 0 430.435 5.235 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000016689000 568829919 /nfs/dbraw/zinc/82/99/19/568829919.db2.gz HPZHFLVPEDXEJI-ZHZULCJRSA-N 0 0 427.547 5.065 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1csc2c1CCCC2 ZINC000000644874 568832065 /nfs/dbraw/zinc/83/20/65/568832065.db2.gz SFDMNEBVLLVUJG-UHFFFAOYSA-N 0 0 445.013 5.456 50 30 IKEARN C=CCn1c2ccccc2n2c1nc(-c1ccc(OC)cc1)c2C(=S)Nc1ccccc1 ZINC000000854901 568832458 /nfs/dbraw/zinc/83/24/58/568832458.db2.gz XJTBMISVABPISP-UHFFFAOYSA-N 0 0 438.556 5.938 50 30 IKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S ZINC000000975338 568832514 /nfs/dbraw/zinc/83/25/14/568832514.db2.gz CUXIXMQHPVSDDF-XDHOZWIPSA-N 0 0 431.966 5.315 50 30 IKEARN C=C(C)Cn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000985911 568832535 /nfs/dbraw/zinc/83/25/35/568832535.db2.gz BDJRADCDPIEVTP-HNNXBMFYSA-N 0 0 426.607 5.460 50 30 IKEARN C=C(C)Cn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000985908 568832610 /nfs/dbraw/zinc/83/26/10/568832610.db2.gz KVVDLBFCGSPPLS-CQSZACIVSA-N 0 0 440.590 5.180 50 30 IKEARN Cc1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)s1 ZINC000018084439 568832944 /nfs/dbraw/zinc/83/29/44/568832944.db2.gz MTCXQSFIPHYFDJ-QFIPXVFZSA-N 0 0 435.593 5.311 50 30 IKEARN C=CCN1C(=S)N=NC1c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N ZINC000001033663 568832947 /nfs/dbraw/zinc/83/29/47/568832947.db2.gz ACQLXFZADYYOAJ-UHFFFAOYSA-N 0 0 442.573 5.341 50 30 IKEARN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000001167034 568833061 /nfs/dbraw/zinc/83/30/61/568833061.db2.gz ZFBOJNLGBOGCPG-WOJGMQOQSA-N 0 0 448.327 5.251 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Cl)cc1 ZINC000001118007 568833122 /nfs/dbraw/zinc/83/31/22/568833122.db2.gz MWNJVILOCMXLBA-UHFFFAOYSA-N 0 0 430.986 5.237 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2ccccc2cc1O ZINC000001160028 568833133 /nfs/dbraw/zinc/83/31/33/568833133.db2.gz GLFMXWGDOFVUTH-UHFFFAOYSA-N 0 0 444.560 5.338 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1sc2ccccc2c1Cl ZINC000001148863 568833156 /nfs/dbraw/zinc/83/31/56/568833156.db2.gz LODKRMBLTSNCEK-UHFFFAOYSA-N 0 0 443.956 6.113 50 30 IKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000001160535 568833239 /nfs/dbraw/zinc/83/32/39/568833239.db2.gz VLSNUPWPFQCMSZ-UHFFFAOYSA-N 0 0 431.502 5.505 50 30 IKEARN C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC ZINC000001791342 568834087 /nfs/dbraw/zinc/83/40/87/568834087.db2.gz ZLPXLILHGYTHOS-DEOSSOPVSA-N 0 0 441.556 5.856 50 30 IKEARN C#CCOc1c(Cl)cc(C=C2SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OCC ZINC000002176004 568834618 /nfs/dbraw/zinc/83/46/18/568834618.db2.gz KODLHJUTWZDHFO-MOSHPQCFSA-N 0 0 440.952 5.450 50 30 IKEARN C=CCSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000002181044 568834667 /nfs/dbraw/zinc/83/46/67/568834667.db2.gz GGBTUGCPINYJSP-UHFFFAOYSA-N 0 0 445.396 6.699 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1OC ZINC000002200769 568834829 /nfs/dbraw/zinc/83/48/29/568834829.db2.gz YNNYLZUSEGXQDF-QGZVFWFLSA-N 0 0 436.581 5.384 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000002203109 568834883 /nfs/dbraw/zinc/83/48/83/568834883.db2.gz BUFNDFFDMNUHLT-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000002431100 568835810 /nfs/dbraw/zinc/83/58/10/568835810.db2.gz HJYLFSRIFGEXAK-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(C)c1 ZINC000002452598 568835929 /nfs/dbraw/zinc/83/59/29/568835929.db2.gz RGTYBJAMGZOYPJ-UHFFFAOYSA-N 0 0 426.973 5.441 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(Cl)c1 ZINC000002454460 568835949 /nfs/dbraw/zinc/83/59/49/568835949.db2.gz ZVZXBCAAEFDURB-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002452810 568835978 /nfs/dbraw/zinc/83/59/78/568835978.db2.gz CGNAIAUXNHSTRB-UHFFFAOYSA-N 0 0 434.609 5.722 50 30 IKEARN O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000001220856 568836591 /nfs/dbraw/zinc/83/65/91/568836591.db2.gz MFFDKMQSIXVXRN-CQSZACIVSA-N 0 0 430.154 5.218 50 30 IKEARN CC(C)(C)CC(C)(C)c1ccc(OCCOS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001761762 568842030 /nfs/dbraw/zinc/84/20/30/568842030.db2.gz JAILCIAACZEEST-UHFFFAOYSA-N 0 0 435.542 5.093 50 30 IKEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000002164912 568842233 /nfs/dbraw/zinc/84/22/33/568842233.db2.gz KYTLMSUVQQERIA-RNIAWFEPSA-N 0 0 434.408 5.021 50 30 IKEARN Brc1cccc(/N=C/c2ccc(/C=N/c3cccc(Br)c3)cc2)c1 ZINC000002170815 568842244 /nfs/dbraw/zinc/84/22/44/568842244.db2.gz HTCRDSPMLZYKHL-RNIAWFEPSA-N 0 0 442.154 6.713 50 30 IKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000025693386 568842747 /nfs/dbraw/zinc/84/27/47/568842747.db2.gz SXMAMABIMAQBRJ-PHEQNACWSA-N 0 0 428.400 5.295 50 30 IKEARN COc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000025694735 568842770 /nfs/dbraw/zinc/84/27/70/568842770.db2.gz GRWCASRCDQYMNO-UHFFFAOYSA-N 0 0 445.559 5.928 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000100821518 568843410 /nfs/dbraw/zinc/84/34/10/568843410.db2.gz DNYSZZKSMTVIKE-UHFFFAOYSA-N 0 0 442.622 6.102 50 30 IKEARN C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC3=O)CC[C@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000071786332 568843515 /nfs/dbraw/zinc/84/35/15/568843515.db2.gz CQXWQXWSQQSTQB-PQSSVSIVSA-N 0 0 428.594 5.253 50 30 IKEARN C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC3=O)CC[C@@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000071786333 568843517 /nfs/dbraw/zinc/84/35/17/568843517.db2.gz CQXWQXWSQQSTQB-LQNAPZDISA-N 0 0 428.594 5.253 50 30 IKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(NN)cc1 ZINC000101016831 568843543 /nfs/dbraw/zinc/84/35/43/568843543.db2.gz JGQIXXYPXISIQT-UHFFFAOYSA-N 0 0 425.683 6.074 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000101016625 568843574 /nfs/dbraw/zinc/84/35/74/568843574.db2.gz WRLACBJNDHQJRX-UHFFFAOYSA-N 0 0 441.634 6.858 50 30 IKEARN CCCCCCCC/C=C/CCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC ZINC000102314618 568843675 /nfs/dbraw/zinc/84/36/75/568843675.db2.gz UJXAEQUPRRGRMR-FOCLMDBBSA-N 0 0 438.693 7.937 50 30 IKEARN CCCCCCCCCCCCCCCC[C@H](S)C(=O)Nc1ccc(Cl)cc1 ZINC000101017936 568843703 /nfs/dbraw/zinc/84/37/03/568843703.db2.gz SGYOJHLVFNCXPP-QHCPKHFHSA-N 0 0 426.110 8.448 50 30 IKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NN)c(Cl)c1 ZINC000101017749 568843712 /nfs/dbraw/zinc/84/37/12/568843712.db2.gz ZQWSSTSVUYICSB-UHFFFAOYSA-N 0 0 431.086 6.881 50 30 IKEARN CCOC(=O)[C@@H](CC)Sc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N ZINC000006134576 568844824 /nfs/dbraw/zinc/84/48/24/568844824.db2.gz JJLIDQBSPIEYDR-XMMPIXPASA-N 0 0 446.572 6.120 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000006137170 568845216 /nfs/dbraw/zinc/84/52/16/568845216.db2.gz VYESIIKCKJBLMG-HSZRJFAPSA-N 0 0 434.511 5.077 50 30 IKEARN CC(C)(C)/N=C1\[C@@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 ZINC000015861717 568848137 /nfs/dbraw/zinc/84/81/37/568848137.db2.gz VYVNJZHNYZKNOM-GUTJXLKISA-N 0 0 443.604 5.493 50 30 IKEARN N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1 ZINC000015861781 568848150 /nfs/dbraw/zinc/84/81/50/568848150.db2.gz SMXIDLKERQIBJL-YVAKIUAWSA-N 0 0 448.680 6.242 50 30 IKEARN N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H]([NH+]3CCCC3)/C2=N\C2CCCCC2)cc1 ZINC000015861764 568848200 /nfs/dbraw/zinc/84/82/00/568848200.db2.gz HYJDMDBZIMBCOQ-OSQOMCJFSA-N 0 0 434.653 5.852 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC1CCCCCC1 ZINC000015867228 568850948 /nfs/dbraw/zinc/85/09/48/568850948.db2.gz IEXMAOLARYSGDZ-AREMUKBSSA-N 0 0 449.620 5.567 50 30 IKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2c1CCCC2 ZINC000017100052 568851044 /nfs/dbraw/zinc/85/10/44/568851044.db2.gz WZRFKWAYTCQKRC-UHFFFAOYSA-N 0 0 436.433 6.671 50 30 IKEARN CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CCCCCCCCCC2 ZINC000017101636 568851298 /nfs/dbraw/zinc/85/12/98/568851298.db2.gz KFJOJQZVIATMTP-UHFFFAOYSA-N 0 0 437.605 6.134 50 30 IKEARN CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1(NCc1ccccc1)c1ccccc1 ZINC000019534895 568854464 /nfs/dbraw/zinc/85/44/64/568854464.db2.gz IHOKZJJHJWKVFD-HKBQPEDESA-N 0 0 427.547 6.547 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000015880444 568854645 /nfs/dbraw/zinc/85/46/45/568854645.db2.gz WXUTVTXRDTXMIQ-UHFFFAOYSA-N 0 0 447.918 6.969 50 30 IKEARN COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)C#Cc1ccccc1 ZINC000019638805 568854826 /nfs/dbraw/zinc/85/48/26/568854826.db2.gz IWFKAMGOHJBITP-UHFFFAOYSA-N 0 0 443.568 6.240 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000019647806 568854830 /nfs/dbraw/zinc/85/48/30/568854830.db2.gz XEBVHXQNBRVIBL-UHFFFAOYSA-N 0 0 448.573 5.584 50 30 IKEARN C=CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000019647790 568854845 /nfs/dbraw/zinc/85/48/45/568854845.db2.gz GGAJTNGEMJEYEH-UHFFFAOYSA-N 0 0 448.573 5.584 50 30 IKEARN C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000019648417 568854892 /nfs/dbraw/zinc/85/48/92/568854892.db2.gz JPIXIAMXHWIBGF-MRXNPFEDSA-N 0 0 449.020 5.189 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1OCC ZINC000019645416 568854969 /nfs/dbraw/zinc/85/49/69/568854969.db2.gz PXIRWKZGOHHEMV-UHFFFAOYSA-N 0 0 446.935 5.053 50 30 IKEARN Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3n2Cc2ccc(C#N)cc2)cc1 ZINC000015912064 568858742 /nfs/dbraw/zinc/85/87/42/568858742.db2.gz NHUSKOBTZZRGRI-RUZDIDTESA-N 0 0 436.559 5.782 50 30 IKEARN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000015945144 568859268 /nfs/dbraw/zinc/85/92/68/568859268.db2.gz AYNZBADDFOWZNC-UCQKPKSFSA-N 0 0 442.496 5.387 50 30 IKEARN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)CCC/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000025692775 568862094 /nfs/dbraw/zinc/86/20/94/568862094.db2.gz MWEWOCIGOBYNOF-QHKWOANTSA-N 0 0 433.247 6.030 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1ccc(Br)cc1 ZINC000027015972 568862823 /nfs/dbraw/zinc/86/28/23/568862823.db2.gz WIRHSNSGLHTARS-LNVKXUELSA-N 0 0 442.382 5.746 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S ZINC000027018217 568863037 /nfs/dbraw/zinc/86/30/37/568863037.db2.gz ULGOPIMUDONJBH-QNGOZBTKSA-N 0 0 447.585 5.325 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S ZINC000033315759 568866442 /nfs/dbraw/zinc/86/64/42/568866442.db2.gz DRGHAVSWFHPYRO-KGENOOAVSA-N 0 0 431.586 5.543 50 30 IKEARN C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000033422561 568866459 /nfs/dbraw/zinc/86/64/59/568866459.db2.gz QUSNHTFPYFAUBN-KGENOOAVSA-N 0 0 447.585 5.244 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3C(F)(F)F)c(OC)c2)n1 ZINC000034712595 568867249 /nfs/dbraw/zinc/86/72/49/568867249.db2.gz XZZJKGMOAUHDDF-UHFFFAOYSA-N 0 0 448.466 5.332 50 30 IKEARN C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000035351796 568880510 /nfs/dbraw/zinc/88/05/10/568880510.db2.gz QSMHDNDAYHFFEK-UNOMPAQXSA-N 0 0 447.915 5.679 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CCCCC1 ZINC000016399918 568887550 /nfs/dbraw/zinc/88/75/50/568887550.db2.gz FBCVSGWZMNGIPU-UHFFFAOYSA-N 0 0 439.890 5.397 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)Nc1ccccc1O ZINC000016400692 568887978 /nfs/dbraw/zinc/88/79/78/568887978.db2.gz ZETQDHKYDWHHLR-UHFFFAOYSA-N 0 0 443.450 5.466 50 30 IKEARN CN(c1ccccc1)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000015980345 568894074 /nfs/dbraw/zinc/89/40/74/568894074.db2.gz KYCAUWPEFHRGQC-ACCUITESSA-N 0 0 437.293 6.021 50 30 IKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2[N+](=O)[O-])cc1 ZINC000015978903 568894136 /nfs/dbraw/zinc/89/41/36/568894136.db2.gz KUBBNCXFWHQVPJ-UUILKARUSA-N 0 0 435.432 5.309 50 30 IKEARN O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000015979219 568894151 /nfs/dbraw/zinc/89/41/51/568894151.db2.gz UPEHYTOWTMODBR-XLUWADSXSA-N 0 0 432.234 6.729 50 30 IKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1 ZINC000016035569 568894166 /nfs/dbraw/zinc/89/41/66/568894166.db2.gz YDYMOCFTSGSEFB-PJQLUOCWSA-N 0 0 431.488 6.589 50 30 IKEARN COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1OC(F)F ZINC000015979222 568894194 /nfs/dbraw/zinc/89/41/94/568894194.db2.gz XMJHMAUYYGJJRA-QHHAFSJGSA-N 0 0 436.304 5.396 50 30 IKEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000015979651 568894197 /nfs/dbraw/zinc/89/41/97/568894197.db2.gz DIZBDXWPJIBTTP-XDHOZWIPSA-N 0 0 435.545 5.406 50 30 IKEARN C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N ZINC000006427643 568897588 /nfs/dbraw/zinc/89/75/88/568897588.db2.gz NSMQBOKQDWPGQI-CYBMUJFWSA-N 0 0 437.462 5.271 50 30 IKEARN CC(C)(C)c1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O ZINC000001740225 568898076 /nfs/dbraw/zinc/89/80/76/568898076.db2.gz XOPUESJIOIAWEL-WPWMEQJKSA-N 0 0 428.020 5.797 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3/c4ccccc4NC3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000001750623 568904694 /nfs/dbraw/zinc/90/46/94/568904694.db2.gz IZYQENPJHGQEQI-LWTODMHQSA-N 0 0 425.513 5.434 50 30 IKEARN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000001755795 568904853 /nfs/dbraw/zinc/90/48/53/568904853.db2.gz KBOOIAOTRZIBMM-SFQUDFHCSA-N 0 0 437.854 5.411 50 30 IKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)Nc1c(F)cccc1F ZINC000006444494 568906897 /nfs/dbraw/zinc/90/68/97/568906897.db2.gz PDFQRSXQJZGMQF-UHFFFAOYSA-N 0 0 439.531 5.430 50 30 IKEARN COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1OC ZINC000001780536 568906932 /nfs/dbraw/zinc/90/69/32/568906932.db2.gz VJIUMSSKWJMACP-PCLIKHOPSA-N 0 0 430.533 5.137 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000001794181 568908189 /nfs/dbraw/zinc/90/81/89/568908189.db2.gz PWXUTGAJAPLZBT-UHFFFAOYSA-N 0 0 444.943 5.915 50 30 IKEARN CCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O ZINC000001819977 568915671 /nfs/dbraw/zinc/91/56/71/568915671.db2.gz HDHJZGKHWSQGMF-UHFFFAOYSA-N 0 0 444.417 6.867 50 30 IKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000001882778 568917448 /nfs/dbraw/zinc/91/74/48/568917448.db2.gz FLTACQQLRBRVJI-VULFUBBASA-N 0 0 443.300 6.867 50 30 IKEARN CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Oc2ccccc2)cc1 ZINC000026841471 568917924 /nfs/dbraw/zinc/91/79/24/568917924.db2.gz BOMAOFOTBQZVIL-XMMPIXPASA-N 0 0 443.499 5.394 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1 ZINC000006462304 568918553 /nfs/dbraw/zinc/91/85/53/568918553.db2.gz UNCNVXBRFJEQID-IMVGLAPISA-N 0 0 437.569 5.977 50 30 IKEARN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006463058 568919477 /nfs/dbraw/zinc/91/94/77/568919477.db2.gz KCOCLJMVEVDUEN-UHFFFAOYSA-N 0 0 431.576 5.404 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1 ZINC000006474355 568920025 /nfs/dbraw/zinc/92/00/25/568920025.db2.gz RQPVNTINGDYDHN-UHFFFAOYSA-N 0 0 447.390 7.886 50 30 IKEARN Oc1ccc2ccccc2c1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000006473777 568920034 /nfs/dbraw/zinc/92/00/34/568920034.db2.gz JFIAYZDAWAEUOS-WPWMEQJKSA-N 0 0 447.502 5.664 50 30 IKEARN Cc1ccc2nc(-c3ccc(/N=C/C=C/c4cccc(Br)c4)cc3)sc2c1 ZINC000001922501 568923223 /nfs/dbraw/zinc/92/32/23/568923223.db2.gz QKFFKRJETNUNJC-BZCVXYEQSA-N 0 0 433.374 7.450 50 30 IKEARN CCc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 ZINC000001922382 568923273 /nfs/dbraw/zinc/92/32/73/568923273.db2.gz OUAPJIBRTUQZDN-OVMGZERMSA-N 0 0 431.333 7.235 50 30 IKEARN Clc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 ZINC000001922476 568923290 /nfs/dbraw/zinc/92/32/90/568923290.db2.gz ZPTKRPYBZLHYHB-FGZXAJGVSA-N 0 0 437.724 7.326 50 30 IKEARN COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000001957004 568923760 /nfs/dbraw/zinc/92/37/60/568923760.db2.gz ZNMHLWFKGIKJBA-OGLMXYFKSA-N 0 0 427.548 6.150 50 30 IKEARN CCOC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000001965114 568923928 /nfs/dbraw/zinc/92/39/28/568923928.db2.gz PIZZHSLVJBVPEG-UHFFFAOYSA-N 0 0 441.336 5.209 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Br)ccc1O ZINC000002008222 568927608 /nfs/dbraw/zinc/92/76/08/568927608.db2.gz PJXIQRBEKIUKFA-XMMPIXPASA-N 0 0 448.360 6.617 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccnc1 ZINC000018121951 568929589 /nfs/dbraw/zinc/92/95/89/568929589.db2.gz VRJMRNQSILBZHL-MHZLTWQESA-N 0 0 437.543 5.467 50 30 biogenic IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC ZINC000002028937 568934596 /nfs/dbraw/zinc/93/45/96/568934596.db2.gz SFQJTSIUDXSYRW-XMMPIXPASA-N 0 0 439.596 5.813 50 30 IKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000027024029 568939274 /nfs/dbraw/zinc/93/92/74/568939274.db2.gz AEANKSPMVRBIJY-NRFANRHFSA-N 0 0 447.512 5.016 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccsc2)n1 ZINC000004658207 568940201 /nfs/dbraw/zinc/94/02/01/568940201.db2.gz MZPAAWHGHGFLMU-SBUREZEXSA-N 0 0 445.544 5.045 50 30 IKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCCOc1ccccc1 ZINC000002051506 568940354 /nfs/dbraw/zinc/94/03/54/568940354.db2.gz GORWTVNFGXRIIH-UHFFFAOYSA-N 0 0 426.516 6.597 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccccc3)c2C1 ZINC000002056356 568940505 /nfs/dbraw/zinc/94/05/05/568940505.db2.gz MHNQMMPRWOGUCP-FQEVSTJZSA-N 0 0 447.047 7.717 50 30 IKEARN Cc1cc(C)n(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)n1 ZINC000002056332 568940932 /nfs/dbraw/zinc/94/09/32/568940932.db2.gz IAEVDUHNCMPABM-UHFFFAOYSA-N 0 0 436.587 5.656 50 30 IKEARN CCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2Cl)cc1 ZINC000002065132 568941063 /nfs/dbraw/zinc/94/10/63/568941063.db2.gz KGGOYLQNXGIAOK-UHFFFAOYSA-N 0 0 447.918 6.383 50 30 IKEARN N#Cc1c(NC(=O)COc2cccc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 ZINC000002066404 568941140 /nfs/dbraw/zinc/94/11/40/568941140.db2.gz IRLMUXSPTNFFCF-UHFFFAOYSA-N 0 0 444.490 6.656 50 30 IKEARN Cc1ccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1 ZINC000002067288 568941172 /nfs/dbraw/zinc/94/11/72/568941172.db2.gz YNZGDDLQVZDYAZ-SFHVURJKSA-N 0 0 442.799 5.345 50 30 IKEARN CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000006632037 568941956 /nfs/dbraw/zinc/94/19/56/568941956.db2.gz UYPHKGGUTMMQFG-FYHAJLKWSA-N 0 0 434.005 5.129 50 30 IKEARN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000006720432 568961717 /nfs/dbraw/zinc/96/17/17/568961717.db2.gz ZGGNOOHKJBNGBI-HHHXNRCGSA-N 0 0 431.580 5.840 50 30 IKEARN O=C(/C=C\c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1 ZINC000169616037 568968766 /nfs/dbraw/zinc/96/87/66/568968766.db2.gz LVUSTTLJPLEOCA-AXUYNXDZSA-N 0 0 428.557 5.023 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000169616278 568968798 /nfs/dbraw/zinc/96/87/98/568968798.db2.gz SPICJYJHSFWNHN-DNVJHFABSA-N 0 0 441.943 5.686 50 30 IKEARN CC(C)(C)c1csc([C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)CCO2)n1 ZINC000170621101 569147867 /nfs/dbraw/zinc/14/78/67/569147867.db2.gz MOPCDSXILNKFAP-QGZVFWFLSA-N 0 0 444.507 5.040 50 30 IKEARN CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1 ZINC000010059453 569152149 /nfs/dbraw/zinc/15/21/49/569152149.db2.gz BCIJUYCKSFDHLO-UHFFFAOYSA-N 0 0 425.517 5.057 50 30 IKEARN C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 ZINC000004534359 569155458 /nfs/dbraw/zinc/15/54/58/569155458.db2.gz FVWJYYTZTCVBKE-ABHPCVNUSA-N 0 0 442.728 6.997 50 30 IKEARN COc1ccc(NC(=O)C(C)(C)Sc2nc(-c3ccccc3)ccc2C#N)cc1Cl ZINC000013578799 569156045 /nfs/dbraw/zinc/15/60/45/569156045.db2.gz FAHJKPKQWILIHA-UHFFFAOYSA-N 0 0 437.952 5.792 50 30 IKEARN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000014606051 569159582 /nfs/dbraw/zinc/15/95/82/569159582.db2.gz FFFJCFKUYPGQSU-AREMUKBSSA-N 0 0 449.570 5.214 50 30 IKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCC(C)C)cc1 ZINC000014605462 569159604 /nfs/dbraw/zinc/15/96/04/569159604.db2.gz HUKLXRAWXDWYDK-MHZLTWQESA-N 0 0 445.607 5.384 50 30 IKEARN CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 ZINC000016729034 569160497 /nfs/dbraw/zinc/16/04/97/569160497.db2.gz DSWRPZHBKWQWRU-UHFFFAOYSA-N 0 0 432.442 6.469 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1 ZINC000016805399 569162144 /nfs/dbraw/zinc/16/21/44/569162144.db2.gz OZVVKYCJAZLBRG-UHFFFAOYSA-N 0 0 439.289 7.238 50 30 IKEARN N#Cc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1Cl ZINC000014686146 569162180 /nfs/dbraw/zinc/16/21/80/569162180.db2.gz MWJDAMXVLVJFKO-UHFFFAOYSA-N 0 0 443.256 5.134 50 30 IKEARN Brc1ccc(C=Nc2ccc(N=Cc3ccc(Br)cc3)cc2)cc1 ZINC000254395946 569170043 /nfs/dbraw/zinc/17/00/43/569170043.db2.gz ABIMDDIMIIGMLZ-UHFFFAOYSA-N 0 0 442.154 6.713 50 30 IKEARN Cc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccc(OCC(C)C)cc2)cc1 ZINC000017040794 569171491 /nfs/dbraw/zinc/17/14/91/569171491.db2.gz LXNUEWGSFQGOHC-OCEACIFDSA-N 0 0 436.577 5.069 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017100040 569173558 /nfs/dbraw/zinc/17/35/58/569173558.db2.gz POKKOXYKBYYTQJ-GFCCVEGCSA-N 0 0 436.408 7.112 50 30 IKEARN COc1cccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1O ZINC000008916800 569174653 /nfs/dbraw/zinc/17/46/53/569174653.db2.gz HEBKHGUEIXZJEZ-RUZDIDTESA-N 0 0 440.499 5.218 50 30 IKEARN COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1cc(C)cc(C)c1 ZINC000008984751 569174737 /nfs/dbraw/zinc/17/47/37/569174737.db2.gz UIXVBPAIQWXJRH-YZSQISJMSA-N 0 0 449.507 5.514 50 30 IKEARN C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1cc2ccccc2o1 ZINC000001060431 569176626 /nfs/dbraw/zinc/17/66/26/569176626.db2.gz PTJCTQSVYPCRGK-UHFFFAOYSA-N 0 0 433.533 5.771 50 30 IKEARN O=C1c2ccccc2N[C@@H](c2cccc3cccnc32)N1N=Cc1cccc2cccnc12 ZINC000002098450 569179403 /nfs/dbraw/zinc/17/94/03/569179403.db2.gz WPVWBYOJTFBRAC-AREMUKBSSA-N 0 0 429.483 5.384 50 30 IKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3OC)ccc2C1=O ZINC000002104731 569180252 /nfs/dbraw/zinc/18/02/52/569180252.db2.gz DYFAMJYCPFBQRT-ZHBGJKQSSA-N 0 0 428.440 5.095 50 30 biogenic IKEARN C=CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1 ZINC000002438011 569180758 /nfs/dbraw/zinc/18/07/58/569180758.db2.gz HMTIQNNTOTXJFD-UHFFFAOYSA-N 0 0 446.532 5.034 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002544620 569180876 /nfs/dbraw/zinc/18/08/76/569180876.db2.gz DKNDGGJFBXFFLE-UHFFFAOYSA-N 0 0 441.000 5.813 50 30 IKEARN CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(CCCCC)C2=O)C1=O ZINC000100833472 569181686 /nfs/dbraw/zinc/18/16/86/569181686.db2.gz MUERCCAEQMPNJC-VXPUYCOJSA-N 0 0 430.639 5.765 50 30 IKEARN Cc1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1-c1ccc(F)cc1 ZINC000002115604 569181985 /nfs/dbraw/zinc/18/19/85/569181985.db2.gz CTPVCYNYAQQFDL-UHFFFAOYSA-N 0 0 426.341 5.682 50 30 IKEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1nc2ccccc2n1C(F)F ZINC000014901665 569183173 /nfs/dbraw/zinc/18/31/73/569183173.db2.gz HDAIURVQBSTBQK-UHFFFAOYSA-N 0 0 432.883 5.273 50 30 IKEARN COc1ccccc1-n1c(=S)ssc1=N/C(=N\c1ccccc1)c1ccccc1 ZINC000252429292 569183358 /nfs/dbraw/zinc/18/33/58/569183358.db2.gz WZPNTZCQCFDFLM-DHBAMBCESA-N 0 0 435.599 6.018 50 30 IKEARN Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1I ZINC000252462487 569184804 /nfs/dbraw/zinc/18/48/04/569184804.db2.gz SQECGMGRURQSPK-UHFFFAOYSA-N 0 0 427.285 5.929 50 30 IKEARN Cc1c(Cc2ccccc2)sc(N=Cc2ccccc2OCc2ccccc2)c1C(N)=O ZINC000252460124 569184454 /nfs/dbraw/zinc/18/44/54/569184454.db2.gz BWDBEDALCGQOSI-UHFFFAOYSA-N 0 0 440.568 6.076 50 30 IKEARN CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(O)ccc4ccccc43)cc2)cc1 ZINC000252460765 569184520 /nfs/dbraw/zinc/18/45/20/569184520.db2.gz HZWPWNBDPDQBLB-UHFFFAOYSA-N 0 0 446.528 5.496 50 30 IKEARN C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000002544626 569185870 /nfs/dbraw/zinc/18/58/70/569185870.db2.gz VFTLFNZLMUSGEM-UHFFFAOYSA-N 0 0 441.988 5.077 50 30 IKEARN C=CCn1c(CNc2c(C)cccc2C)nnc1SCC(=O)N(c1ccccc1)C(C)C ZINC000002544632 569185874 /nfs/dbraw/zinc/18/58/74/569185874.db2.gz UGSCJGLWSKIAAX-UHFFFAOYSA-N 0 0 449.624 5.227 50 30 IKEARN CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 ZINC000002553394 569185875 /nfs/dbraw/zinc/18/58/75/569185875.db2.gz UJRHEXMDTACHBG-KOEQRZSOSA-N 0 0 433.533 5.015 50 30 IKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)c1 ZINC000002160994 569189048 /nfs/dbraw/zinc/18/90/48/569189048.db2.gz BWWIYKOHPQCDQA-FTWDSPQQSA-N 0 0 440.451 5.238 50 30 biogenic IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)CCCC3 ZINC000002194021 569190729 /nfs/dbraw/zinc/19/07/29/569190729.db2.gz BFLLQELHRUBNFY-UHFFFAOYSA-N 0 0 437.417 6.122 50 30 IKEARN O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000252581652 569191153 /nfs/dbraw/zinc/19/11/53/569191153.db2.gz IHJRFJPQJFYAPL-LKXNIVMFSA-N 0 0 443.930 5.303 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc21 ZINC000002195586 569191332 /nfs/dbraw/zinc/19/13/32/569191332.db2.gz XXSFVEQAWMJJBO-UHFFFAOYSA-N 0 0 429.568 5.419 50 30 IKEARN CCOc1cccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000252589375 569191734 /nfs/dbraw/zinc/19/17/34/569191734.db2.gz AJWQMYBKWREWSE-UHFFFAOYSA-N 0 0 437.293 6.112 50 30 IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O ZINC000002203220 569192609 /nfs/dbraw/zinc/19/26/09/569192609.db2.gz HCJVAUWBSSUGAA-UADFMYQDSA-N 0 0 448.877 6.382 50 30 IKEARN Cc1ccc2oc(-c3ccc(N=Cc4cccc(I)c4)cc3)nc2c1 ZINC000252592761 569192623 /nfs/dbraw/zinc/19/26/23/569192623.db2.gz BGPZVNFGAVWQIN-UHFFFAOYSA-N 0 0 438.268 6.158 50 30 IKEARN Cc1ccc(COc2ccc(C=Nc3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 ZINC000252592747 569192718 /nfs/dbraw/zinc/19/27/18/569192718.db2.gz BGNKGJNGCGBOOX-UHFFFAOYSA-N 0 0 443.550 7.177 50 30 IKEARN CCOc1ccc(/C=C2\SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC ZINC000252593813 569192785 /nfs/dbraw/zinc/19/27/85/569192785.db2.gz BMJMLUVREAWAQT-SEXFUUHCSA-N 0 0 436.455 5.347 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Br)cc1 ZINC000252592774 569192798 /nfs/dbraw/zinc/19/27/98/569192798.db2.gz BHAXSCXMDQIWTO-UHFFFAOYSA-N 0 0 441.181 6.716 50 30 IKEARN O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000252594495 569193084 /nfs/dbraw/zinc/19/30/84/569193084.db2.gz BSOCMNASONXDMO-PYYWQZPNSA-N 0 0 449.373 6.253 50 30 IKEARN COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C ZINC000252596056 569193151 /nfs/dbraw/zinc/19/31/51/569193151.db2.gz CGGREFCLEAARCV-MHZLTWQESA-N 0 0 437.564 7.403 50 30 IKEARN COC(=O)c1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 ZINC000252596800 569193244 /nfs/dbraw/zinc/19/32/44/569193244.db2.gz CMLPCGAZLNCEMU-QQRHMWMMSA-N 0 0 442.540 5.899 50 30 IKEARN CC(C)CN(CC(C)C)c1ccc(C=Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] ZINC000252596356 569193266 /nfs/dbraw/zinc/19/32/66/569193266.db2.gz CIPGNGGJENZWCY-UHFFFAOYSA-N 0 0 443.547 7.363 50 30 IKEARN Cc1cc2c(c(C)c1)NC(=O)/C2=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252597906 569193389 /nfs/dbraw/zinc/19/33/89/569193389.db2.gz CWAFIWKLHMDAAM-ZOXZCZEASA-N 0 0 425.513 5.434 50 30 IKEARN CC(=NOC(=O)C12CC3CC(CC(C3)C1)C2)C(C)=NOC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000252599389 569193489 /nfs/dbraw/zinc/19/34/89/569193489.db2.gz DIGAZVHUSLZPCJ-UHFFFAOYSA-N 0 0 440.584 5.257 50 30 IKEARN Clc1ccc2c(c1)[C@H](N1CCN(N=Cc3ccccc3)CC1)Cc1ccccc1S2 ZINC000252599692 569193511 /nfs/dbraw/zinc/19/35/11/569193511.db2.gz DKCQAMZCNYTQPS-HSZRJFAPSA-N 0 0 434.008 5.740 50 30 IKEARN Oc1ccccc1C=Nc1ccc(-n2cnc3cc(N=Cc4ccccc4O)ccc32)cc1 ZINC000252598744 569193518 /nfs/dbraw/zinc/19/35/18/569193518.db2.gz DDAKLXHDRWUVLC-UHFFFAOYSA-N 0 0 432.483 5.938 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002206476 569193519 /nfs/dbraw/zinc/19/35/19/569193519.db2.gz PQVZICXKNNRIPL-UVQVWFEYSA-N 0 0 429.589 6.173 50 30 IKEARN CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 ZINC000252603478 569194180 /nfs/dbraw/zinc/19/41/80/569194180.db2.gz FSAKZRQTWREXPL-OUCYFQBSSA-N 0 0 447.354 5.177 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 ZINC000252607170 569194579 /nfs/dbraw/zinc/19/45/79/569194579.db2.gz GYWBLQYMNLXOHM-YOIRLTMBSA-N 0 0 448.519 5.647 50 30 IKEARN O=C(CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1)Nc1ccccc1 ZINC000252607832 569195247 /nfs/dbraw/zinc/19/52/47/569195247.db2.gz HEYJXCVXRKZQCY-UHFFFAOYSA-N 0 0 448.529 5.686 50 30 IKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1 ZINC000252609018 569195402 /nfs/dbraw/zinc/19/54/02/569195402.db2.gz HPFLMCQXCXPFDO-GQOJFKQTSA-N 0 0 438.534 5.145 50 30 IKEARN CCc1ccccc1N=C1S/C(=C\c2sccc2C)C(=O)N1c1ccccc1CC ZINC000252611296 569197264 /nfs/dbraw/zinc/19/72/64/569197264.db2.gz IISNDDMLSLRENI-ZYITZIQLSA-N 0 0 432.614 6.990 50 30 IKEARN CCC/N=C1\SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)\C1=N/CCC ZINC000252611531 569197265 /nfs/dbraw/zinc/19/72/65/569197265.db2.gz IKJDNYYQMRVVCM-PVAZKZOHSA-N 0 0 425.533 5.092 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1 ZINC000252612919 569197402 /nfs/dbraw/zinc/19/74/02/569197402.db2.gz IXCUEUGQJZAPJT-ZYITZIQLSA-N 0 0 437.609 5.977 50 30 IKEARN CCOC(=O)c1ccc(N2C(SC)=NC(=Nc3cccc(C)c3)C23CCCCC3)cc1 ZINC000252613493 569197467 /nfs/dbraw/zinc/19/74/67/569197467.db2.gz JCJOSZXCNPTOFQ-UHFFFAOYSA-N 0 0 435.593 6.144 50 30 IKEARN CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2cccc(Cl)c2)cc1 ZINC000252616179 569197598 /nfs/dbraw/zinc/19/75/98/569197598.db2.gz JYLJVECKHGUUMG-UHFFFAOYSA-N 0 0 445.906 6.031 50 30 IKEARN [O-]c1c(Cl)cc(Cl)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000252619411 569198146 /nfs/dbraw/zinc/19/81/46/569198146.db2.gz LOSZFWOHDLPJAT-UHFFFAOYSA-N 0 0 436.302 5.664 50 30 IKEARN CCOc1ccccc1NC(=O)CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252618610 569198157 /nfs/dbraw/zinc/19/81/57/569198157.db2.gz LIPNXQLBCIZNOH-QFIPXVFZSA-N 0 0 445.544 5.250 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C)c(C)c1 ZINC000252619875 569198730 /nfs/dbraw/zinc/19/87/30/569198730.db2.gz LTLKXHYORSIHQV-UYJNXHFOSA-N 0 0 442.584 6.506 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1Cl ZINC000252620338 569199337 /nfs/dbraw/zinc/19/93/37/569199337.db2.gz MCCPLJFOMYLEGK-PYYWQZPNSA-N 0 0 442.968 5.927 50 30 IKEARN Cc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252620822 569201420 /nfs/dbraw/zinc/20/14/20/569201420.db2.gz MMQCPIFJAXNHKY-APZKEAJMSA-N 0 0 428.557 6.434 50 30 IKEARN CCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 ZINC000252620948 569201562 /nfs/dbraw/zinc/20/15/62/569201562.db2.gz MPSBIFDWHDQVCH-KRWDZBQOSA-N 0 0 435.471 5.076 50 30 IKEARN COc1ccc(C=NN=C2SC(=N\C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1 ZINC000252621729 569201732 /nfs/dbraw/zinc/20/17/32/569201732.db2.gz NFRLCTNVQZPKGY-AAPDBKPUSA-N 0 0 449.624 6.033 50 30 IKEARN Cc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(C)s4)c(C)c3)cc2C)s1 ZINC000252622007 569201748 /nfs/dbraw/zinc/20/17/48/569201748.db2.gz NMLKIBAQXDTWCF-UHFFFAOYSA-N 0 0 428.626 8.211 50 30 IKEARN CCc1ccc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1 ZINC000252621895 569201769 /nfs/dbraw/zinc/20/17/69/569201769.db2.gz NJKRWTLERJDADA-YTYDTYSUSA-N 0 0 440.612 7.291 50 30 IKEARN CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252622737 569201846 /nfs/dbraw/zinc/20/18/46/569201846.db2.gz OBPBUAWGQFZUQD-HJTUMBPSSA-N 0 0 435.332 5.404 50 30 IKEARN Cc1cc2nc(-c3ccc(C)c(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c(C)c1 ZINC000252623075 569201847 /nfs/dbraw/zinc/20/18/47/569201847.db2.gz OJNACHLJDKKELK-UHFFFAOYSA-N 0 0 429.432 5.808 50 30 IKEARN CCCOc1ccccc1/C=C1/SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O ZINC000252623333 569202071 /nfs/dbraw/zinc/20/20/71/569202071.db2.gz OOPHUGDEBSWVEU-OFGWUVNBSA-N 0 0 442.584 6.901 50 30 IKEARN O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)Nc1ccccc1 ZINC000252623412 569202180 /nfs/dbraw/zinc/20/21/80/569202180.db2.gz OQOUYXAYSNZCTE-UHFFFAOYSA-N 0 0 437.977 6.431 50 30 IKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)o1 ZINC000252623720 569202185 /nfs/dbraw/zinc/20/21/85/569202185.db2.gz OXUQISYJXBUFNT-FTEWTSQZSA-N 0 0 435.461 5.097 50 30 IKEARN Brc1cccc(-c2nc3cc(N=C/C=C\c4ccc5c(c4)OCO5)ccc3o2)c1 ZINC000252624253 569202673 /nfs/dbraw/zinc/20/26/73/569202673.db2.gz PKDUHMHSMTVTIK-TVXPHXSHSA-N 0 0 447.288 6.402 50 30 IKEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c(C)c1 ZINC000252624473 569202818 /nfs/dbraw/zinc/20/28/18/569202818.db2.gz POLQYPVNZHMTEU-HSZRJFAPSA-N 0 0 443.572 5.464 50 30 IKEARN CC(=O)c1ccc(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)cc1 ZINC000252624707 569202858 /nfs/dbraw/zinc/20/28/58/569202858.db2.gz PTIWGBQPYJNAKU-HDSIZHJASA-N 0 0 448.316 6.021 50 30 IKEARN CCc1ccc(N=C2S/C(=C/C=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252624530 569202894 /nfs/dbraw/zinc/20/28/94/569202894.db2.gz PPVNLTXZAAHASO-NMIJIDOLSA-N 0 0 438.596 7.176 50 30 IKEARN Cc1cc(C)n(-c2nc(N=NCc3cccc4ccccc43)nc(Nc3ccc(C)cc3)n2)n1 ZINC000252624985 569203085 /nfs/dbraw/zinc/20/30/85/569203085.db2.gz QACFRHGFIFVHBI-UHFFFAOYSA-N 0 0 448.534 5.325 50 30 IKEARN COc1cc(C)c(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C ZINC000252625155 569203086 /nfs/dbraw/zinc/20/30/86/569203086.db2.gz QEKANXFTDOFSFP-GUGSDYAWSA-N 0 0 434.605 6.674 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1OC ZINC000252625526 569203155 /nfs/dbraw/zinc/20/31/55/569203155.db2.gz QLXKSMIXXCMNAE-UFDKDONYSA-N 0 0 442.968 5.764 50 30 IKEARN Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2c(O)ccc3ccccc32)n1 ZINC000252625523 569203156 /nfs/dbraw/zinc/20/31/56/569203156.db2.gz QLWCNNXOOXKHMZ-UHFFFAOYSA-N 0 0 432.483 5.821 50 30 IKEARN CCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=Nc1ccc(OCC)cc1 ZINC000252625502 569203172 /nfs/dbraw/zinc/20/31/72/569203172.db2.gz QLLQUGNDJAOTRH-LPPQLWTJSA-N 0 0 435.343 5.455 50 30 IKEARN COc1ccc(-c2nc3cc(N=Cc4c(O)ccc5ccccc54)ccc3o2)cc1[N+](=O)[O-] ZINC000252626131 569203187 /nfs/dbraw/zinc/20/31/87/569203187.db2.gz QXFFHUFYZNMJGP-UHFFFAOYSA-N 0 0 439.427 6.021 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1OC ZINC000252625525 569203204 /nfs/dbraw/zinc/20/32/04/569203204.db2.gz QLXKSMIXXCMNAE-QUXILYDTSA-N 0 0 442.968 5.764 50 30 IKEARN Oc1ccc2ccccc2c1C=Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000252626213 569203238 /nfs/dbraw/zinc/20/32/38/569203238.db2.gz QYLNPPAWMSGDOW-UHFFFAOYSA-N 0 0 443.300 6.867 50 30 IKEARN COc1ccc(C(C)=NN=c2scc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000252626558 569203394 /nfs/dbraw/zinc/20/33/94/569203394.db2.gz RBDSDDFEIBTPGD-UHFFFAOYSA-N 0 0 429.545 5.548 50 30 IKEARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)SC1=Nc1ccc(OC)cc1 ZINC000252626823 569203440 /nfs/dbraw/zinc/20/34/40/569203440.db2.gz RGESGHJANGBKBU-YOIRLTMBSA-N 0 0 449.551 5.866 50 30 IKEARN Oc1cc(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1-c1nc2ccccc2o1 ZINC000252627419 569203508 /nfs/dbraw/zinc/20/35/08/569203508.db2.gz RTQQEIPIDOGWMS-UHFFFAOYSA-N 0 0 449.293 7.518 50 30 IKEARN COc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000252627482 569203517 /nfs/dbraw/zinc/20/35/17/569203517.db2.gz RVGPTYYAVVIMHX-APZKEAJMSA-N 0 0 444.556 6.129 50 30 IKEARN O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252627217 569203533 /nfs/dbraw/zinc/20/35/33/569203533.db2.gz RPATUCQHNBLEPW-GGYXWTDNSA-N 0 0 425.307 5.851 50 30 aggregator IKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252627380 569203549 /nfs/dbraw/zinc/20/35/49/569203549.db2.gz RTCHOQLYFPLBED-OFGWUVNBSA-N 0 0 442.584 6.629 50 30 IKEARN Oc1ccc(Br)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000252628152 569203615 /nfs/dbraw/zinc/20/36/15/569203615.db2.gz SJJRXZMXRBDOLO-UHFFFAOYSA-N 0 0 446.308 5.120 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc2ccccc21 ZINC000252628105 569203631 /nfs/dbraw/zinc/20/36/31/569203631.db2.gz SIDJDATZBYQNHC-JOCHJYFZSA-N 0 0 431.561 5.437 50 30 IKEARN COc1ccc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1Cl ZINC000252628235 569203656 /nfs/dbraw/zinc/20/36/56/569203656.db2.gz SLJYSRMPFGEODL-UHFFFAOYSA-N 0 0 441.712 6.670 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O ZINC000252628825 569203744 /nfs/dbraw/zinc/20/37/44/569203744.db2.gz SYSLHZGKUNLUIS-BRLVIBBESA-N 0 0 442.968 5.522 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2CC)N(CC)C1=O ZINC000252629248 569203763 /nfs/dbraw/zinc/20/37/63/569203763.db2.gz UCDIRXNTFIAGTA-SBEYKLCGSA-N 0 0 444.600 6.815 50 30 IKEARN c1ccc(N=C2S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1 ZINC000252629049 569203796 /nfs/dbraw/zinc/20/37/96/569203796.db2.gz TXPDBMSODBCQAQ-FSLDJLOBSA-N 0 0 444.648 7.517 50 30 IKEARN O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252629615 569203875 /nfs/dbraw/zinc/20/38/75/569203875.db2.gz UKBNRNSJEYFUED-ZQFCNSAKSA-N 0 0 425.340 6.802 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252629577 569203916 /nfs/dbraw/zinc/20/39/16/569203916.db2.gz UJJWFTAXTQKUBM-DNKROPNVSA-N 0 0 428.557 6.326 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cc(Cl)ccc1C ZINC000252629366 569203965 /nfs/dbraw/zinc/20/39/65/569203965.db2.gz UELOCFQDPDIFTQ-LJQANCHMSA-N 0 0 427.957 5.103 50 30 IKEARN CCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)SC1=Nc1ccccc1 ZINC000252630505 569204027 /nfs/dbraw/zinc/20/40/27/569204027.db2.gz VAZLWADNTQRQKV-WYWZIVHKSA-N 0 0 447.354 5.090 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ccccc21 ZINC000252630222 569204047 /nfs/dbraw/zinc/20/40/47/569204047.db2.gz UXJFJMSIQZUTRE-SEYIQKDNSA-N 0 0 447.585 5.842 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 ZINC000252630665 569204085 /nfs/dbraw/zinc/20/40/85/569204085.db2.gz VCUUGNMDCWTESF-YOIRLTMBSA-N 0 0 448.519 5.647 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1cc(Cl)ccc1C ZINC000252630136 569204115 /nfs/dbraw/zinc/20/41/15/569204115.db2.gz UVGSRIKXBAAQKN-SFHVURJKSA-N 0 0 429.973 5.245 50 30 IKEARN COc1ccc(C=NOC(=O)Cc2ccc(Cl)cc2)cc1COc1ccc(F)cc1 ZINC000252630887 569204492 /nfs/dbraw/zinc/20/44/92/569204492.db2.gz VFOVBPHKDBAUBH-UHFFFAOYSA-N 0 0 427.859 5.187 50 30 IKEARN C=CCSc1nc(-c2ccc(OCCCC)cc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002224782 569204851 /nfs/dbraw/zinc/20/48/51/569204851.db2.gz RSLZHEBCCUCJIK-UHFFFAOYSA-N 0 0 440.634 6.667 50 30 IKEARN Cc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1C ZINC000252632241 569204886 /nfs/dbraw/zinc/20/48/86/569204886.db2.gz VRFOJGVOSGWCFI-SSEXGKCCSA-N 0 0 429.567 7.410 50 30 IKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000252632447 569204892 /nfs/dbraw/zinc/20/48/92/569204892.db2.gz VTQQBIKOGKYPLQ-JXJWTFEASA-N 0 0 430.529 5.826 50 30 IKEARN Oc1cc(N=C/C=C\c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 ZINC000252633126 569205584 /nfs/dbraw/zinc/20/55/84/569205584.db2.gz VZVIXTXZGMNUNK-OHKTVLNTSA-N 0 0 425.340 7.391 50 30 IKEARN CCCCCCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002227104 569206350 /nfs/dbraw/zinc/20/63/50/569206350.db2.gz YJIORNIBJRKATO-UHFFFAOYSA-N 0 0 448.611 6.883 50 30 IKEARN CCOc1ccc(N=C2S/C(=C/c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 ZINC000252635529 569207965 /nfs/dbraw/zinc/20/79/65/569207965.db2.gz WXWAAZQLYYRCHU-LAJNNLEESA-N 0 0 440.565 5.507 50 30 IKEARN COc1ccc(Br)c(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000252635884 569207977 /nfs/dbraw/zinc/20/79/77/569207977.db2.gz XBBPKCDGNMQZIT-UHFFFAOYSA-N 0 0 441.256 5.861 50 30 IKEARN CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252635950 569208081 /nfs/dbraw/zinc/20/80/81/569208081.db2.gz XCYWWJXXNPXLAA-GIFQUSADSA-N 0 0 446.956 5.467 50 30 IKEARN Cc1ccccc1N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C ZINC000252638009 569208186 /nfs/dbraw/zinc/20/81/86/569208186.db2.gz XYNRMYPDJUIFHA-IBORXNHRSA-N 0 0 429.501 6.020 50 30 IKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 ZINC000252637215 569208195 /nfs/dbraw/zinc/20/81/95/569208195.db2.gz XQHBVMCHFFVEAB-UHFFFAOYSA-N 0 0 439.427 6.422 50 30 IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O ZINC000002228322 569208203 /nfs/dbraw/zinc/20/82/03/569208203.db2.gz QGGSZYAFSHPLCU-QQAHGDJHSA-N 0 0 430.887 6.243 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C ZINC000252638010 569208257 /nfs/dbraw/zinc/20/82/57/569208257.db2.gz XYNRMYPDJUIFHA-LAJNNLEESA-N 0 0 429.501 6.020 50 30 IKEARN O=C(Oc1ccc(C=Nc2ccccc2I)cc1)c1ccccc1 ZINC000252637811 569208263 /nfs/dbraw/zinc/20/82/63/569208263.db2.gz XWSBGEZRVXYYSH-UHFFFAOYSA-N 0 0 427.241 5.261 50 30 IKEARN Fc1ccc(Nc2nc(N=NCc3cccc4ccccc43)nc(N3CCCCC3)n2)cc1 ZINC000252638242 569208342 /nfs/dbraw/zinc/20/83/42/569208342.db2.gz YAMFACUMKIPIEB-UHFFFAOYSA-N 0 0 441.514 5.344 50 30 IKEARN Cc1ccc(N=C2S/C(=C3\c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252640700 569208672 /nfs/dbraw/zinc/20/86/72/569208672.db2.gz YWMICQGFRCHBFS-OHHJCTMOSA-N 0 0 439.540 5.459 50 30 IKEARN C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O ZINC000252640270 569208727 /nfs/dbraw/zinc/20/87/27/569208727.db2.gz YSLXPAUGCBPIFW-XKEFNESHSA-N 0 0 446.528 5.527 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2ccccc2OC)C(=O)N1c1ccccc1CC ZINC000252642206 569209453 /nfs/dbraw/zinc/20/94/53/569209453.db2.gz ZJXFXNJPTOKNLR-OFGWUVNBSA-N 0 0 442.584 6.629 50 30 IKEARN CN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252641996 569209472 /nfs/dbraw/zinc/20/94/72/569209472.db2.gz ZHUTWQVIPWXUAC-SEYIQKDNSA-N 0 0 445.569 6.083 50 30 IKEARN COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252642740 569209492 /nfs/dbraw/zinc/20/94/92/569209492.db2.gz ZPCSONYMHSEOKG-GCNWNYGFSA-N 0 0 444.556 6.129 50 30 IKEARN O=[N+]([O-])c1ccc(/C=C\C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000252644134 569209571 /nfs/dbraw/zinc/20/95/71/569209571.db2.gz ZZTDCIIRPGOJRR-OYKLTGMESA-N 0 0 438.270 7.126 50 30 IKEARN C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)sc1=Nc1ccc(C)cc1 ZINC000252676540 569210429 /nfs/dbraw/zinc/21/04/29/569210429.db2.gz XJRXRAPMVHSRBZ-UHFFFAOYSA-N 0 0 428.626 7.332 50 30 IKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1O ZINC000252680184 569210646 /nfs/dbraw/zinc/21/06/46/569210646.db2.gz XCZAGJVIWOAYNA-UHFFFAOYSA-N 0 0 439.302 5.764 50 30 IKEARN N#Cc1c(/N=C/N2CCCCC2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000002232217 569210725 /nfs/dbraw/zinc/21/07/25/569210725.db2.gz ZFCLZSIVKUHBIF-MWAVMZGNSA-N 0 0 434.543 6.481 50 30 IKEARN COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000252694479 569210864 /nfs/dbraw/zinc/21/08/64/569210864.db2.gz LHZZMHLXKOFUGQ-QCOWYRHRSA-N 0 0 448.559 5.477 50 30 biogenic IKEARN CC(=O)n1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000002235164 569211879 /nfs/dbraw/zinc/21/18/79/569211879.db2.gz KJHDDKZAVMYEEE-UHFFFAOYSA-N 0 0 431.532 5.702 50 30 IKEARN C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002236875 569212359 /nfs/dbraw/zinc/21/23/59/569212359.db2.gz JJDLQCWWEJMXCP-UHFFFAOYSA-N 0 0 428.601 6.065 50 30 IKEARN Cc1ccc(C)c(/N=C/c2ccccc2OC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000003082037 569213176 /nfs/dbraw/zinc/21/31/76/569213176.db2.gz UKPOBPHTUNYDDH-WWFUUPRNSA-N 0 0 434.333 6.435 50 30 IKEARN CCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003166010 569213306 /nfs/dbraw/zinc/21/33/06/569213306.db2.gz NZRLQQKPHLYIHV-UHFFFAOYSA-N 0 0 436.592 6.656 50 30 IKEARN Cc1ccc(NC2=NC(=S)N(c3ccccc3Cl)C23CCC(C(C)(C)C)CC3)cc1 ZINC000027471971 569214027 /nfs/dbraw/zinc/21/40/27/569214027.db2.gz CWFRNJGNMWYDIU-UHFFFAOYSA-N 0 0 440.056 7.048 50 30 IKEARN Clc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000027474044 569214084 /nfs/dbraw/zinc/21/40/84/569214084.db2.gz DFEQTOYKKZYOKV-LUJVFJMUSA-N 0 0 435.958 7.446 50 30 IKEARN C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 ZINC000002252402 569214233 /nfs/dbraw/zinc/21/42/33/569214233.db2.gz QVEBVGKCKZFRHX-GOSISDBHSA-N 0 0 426.607 5.076 50 30 IKEARN C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000002252403 569214288 /nfs/dbraw/zinc/21/42/88/569214288.db2.gz QVEBVGKCKZFRHX-SFHVURJKSA-N 0 0 426.607 5.076 50 30 IKEARN CCCOc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OCCC)ccc1-2 ZINC000027499177 569216288 /nfs/dbraw/zinc/21/62/88/569216288.db2.gz PEKBPPJIHOBPSX-UHFFFAOYSA-N 0 0 431.492 6.017 50 30 IKEARN O=[N+]([O-])C(C=Nc1cccc(Br)c1)=CNc1cccc(Br)c1 ZINC000002269892 569217277 /nfs/dbraw/zinc/21/72/77/569217277.db2.gz UENBASIZYBEXNQ-MPGSNBGNSA-N 0 0 425.080 5.144 50 30 IKEARN CCCCCCCCOc1cccc(/C=N/n2cnc3c4cc(C)ccc4[nH]c3c2=O)c1 ZINC000002273699 569217727 /nfs/dbraw/zinc/21/77/27/569217727.db2.gz KUMGQGIUIIFVHW-OGLMXYFKSA-N 0 0 430.552 5.808 50 30 IKEARN Cc1ccccc1-n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(Cl)cc1 ZINC000002279560 569218011 /nfs/dbraw/zinc/21/80/11/569218011.db2.gz GPQTUYSSCOSDOL-UHFFFAOYSA-N 0 0 437.890 5.660 50 30 IKEARN CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 ZINC000020602265 569257352 /nfs/dbraw/zinc/25/73/52/569257352.db2.gz XLLVCEWUWMRFCJ-OJWAVEFSSA-N 0 0 443.635 6.570 50 30 IKEARN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3cccc(N(C)C)c3)C[C@@]21C ZINC000071766909 569258599 /nfs/dbraw/zinc/25/85/99/569258599.db2.gz MREOZLCREPXSCQ-SVTWOBQPSA-N 0 0 429.604 5.407 50 30 IKEARN CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 ZINC000138166075 569262890 /nfs/dbraw/zinc/26/28/90/569262890.db2.gz RBYDFXAPMDTYEB-VAKZPMALSA-N 0 0 440.634 6.060 50 30 IKEARN CCc1ccc(C(=O)On2c(=O)c3ccccc3nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000027527696 569263321 /nfs/dbraw/zinc/26/33/21/569263321.db2.gz HEDIFOSREDNVPQ-UHFFFAOYSA-N 0 0 426.516 5.192 50 30 IKEARN COc1ccc(C2=C(/C=N/c3ccccc3)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002291319 569267906 /nfs/dbraw/zinc/26/79/06/569267906.db2.gz XWCCEOZZKMECFI-NQFKHPPRSA-N 0 0 447.534 7.042 50 30 IKEARN C=CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295073 569268157 /nfs/dbraw/zinc/26/81/57/569268157.db2.gz YHNKXZRERRCDIW-UHFFFAOYSA-N 0 0 444.600 5.944 50 30 biogenic IKEARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C ZINC000238997476 569268660 /nfs/dbraw/zinc/26/86/60/569268660.db2.gz AITJTURKCCCOIZ-TXTKFYIRSA-N 0 0 441.402 7.134 50 30 IKEARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C ZINC000238997477 569268706 /nfs/dbraw/zinc/26/87/06/569268706.db2.gz AITJTURKCCCOIZ-VIZSFHNOSA-N 0 0 441.402 7.134 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S ZINC000002300073 569269157 /nfs/dbraw/zinc/26/91/57/569269157.db2.gz GDVIPIGFMFXACN-UYRXBGFRSA-N 0 0 435.526 5.348 50 30 IKEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000244795337 569269384 /nfs/dbraw/zinc/26/93/84/569269384.db2.gz REJRUZRZEKNGGI-UHFFFAOYSA-N 0 0 430.581 5.216 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000245227748 569269445 /nfs/dbraw/zinc/26/94/45/569269445.db2.gz UILXPFRZQGQVFT-UXVROXRQSA-N 0 0 442.546 6.174 50 30 biogenic IKEARN Cc1cccc(NC(=O)[C@]2(C#N)[C@H](c3ccccc3)[C@]2(C)C(=O)c2ccc(Cl)cc2)c1 ZINC000245255478 569269692 /nfs/dbraw/zinc/26/96/92/569269692.db2.gz IPHQYXBFPOIGLR-RCXJIHSJSA-N 0 0 428.919 5.784 50 30 IKEARN COc1cccc(N=C(SCc2c(C)c(C)c(C)c(C)c2C)N(CCC#N)CCC#N)c1 ZINC000252427837 569271145 /nfs/dbraw/zinc/27/11/45/569271145.db2.gz ICMITAIQPYGNJJ-UHFFFAOYSA-N 0 0 448.636 6.288 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O ZINC000252320633 569271192 /nfs/dbraw/zinc/27/11/92/569271192.db2.gz HESAJDXBMHQLJH-UGTIFVOYSA-N 0 0 445.434 7.293 50 30 biogenic IKEARN Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002304136 569271566 /nfs/dbraw/zinc/27/15/66/569271566.db2.gz YZACCTILOSAOID-XKZIYDEJSA-N 0 0 446.532 5.511 50 30 IKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000002302256 569271569 /nfs/dbraw/zinc/27/15/69/569271569.db2.gz OVFOKMZBDXPYLK-STZFKDTASA-N 0 0 447.585 5.244 50 30 IKEARN C=C(C)Cn1c(SC/C=C(\C)Cl)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002308181 569271989 /nfs/dbraw/zinc/27/19/89/569271989.db2.gz ZWJBTYOPCGVZIP-GXDHUFHOSA-N 0 0 429.010 6.034 50 30 IKEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)c1=O ZINC000002308801 569272201 /nfs/dbraw/zinc/27/22/01/569272201.db2.gz ZSGYYZIKUZWTES-UHFFFAOYSA-N 0 0 445.482 5.262 50 30 IKEARN N#Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 ZINC000002316469 569272424 /nfs/dbraw/zinc/27/24/24/569272424.db2.gz NBCRYYQWNYKOHB-UHFFFAOYSA-N 0 0 438.405 5.712 50 30 IKEARN C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 ZINC000002316631 569272436 /nfs/dbraw/zinc/27/24/36/569272436.db2.gz BCSPLWPQMSPYGZ-UHFFFAOYSA-N 0 0 447.423 5.635 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000253613863 569273428 /nfs/dbraw/zinc/27/34/28/569273428.db2.gz IKAYYSYGCHKPAB-RVDMBQLFSA-N 0 0 443.716 6.987 50 30 IKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000027572008 569273668 /nfs/dbraw/zinc/27/36/68/569273668.db2.gz YWRYEUJNZLRZAM-UHFFFAOYSA-N 0 0 437.580 5.027 50 30 IKEARN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C(=O)OCC)cc1 ZINC000254288323 569273679 /nfs/dbraw/zinc/27/36/79/569273679.db2.gz GUHHKQDFXNHGSZ-UHFFFAOYSA-N 0 0 433.360 6.119 50 30 IKEARN Clc1ccccc1C=Nc1ccc(Oc2ccc(N=Cc3ccccc3Cl)cc2)cc1 ZINC000254741000 569273914 /nfs/dbraw/zinc/27/39/14/569273914.db2.gz ALDSXUXLVATGJO-UHFFFAOYSA-N 0 0 445.349 8.287 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000257349964 569280512 /nfs/dbraw/zinc/28/05/12/569280512.db2.gz SWTNFHMWIPZFLE-WAUVPMBKSA-N 0 0 448.647 6.860 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@H]3C[C@@H]3O[C@@]32C1 ZINC000257350154 569280539 /nfs/dbraw/zinc/28/05/39/569280539.db2.gz VEEBKUQFPONGGR-MQFZAQGNSA-N 0 0 444.700 7.171 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1 ZINC000257350203 569280548 /nfs/dbraw/zinc/28/05/48/569280548.db2.gz VOPZSPZAIPUPAF-FIFXULJBSA-N 0 0 444.637 5.681 50 30 IKEARN CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]4[C@]3(C)C[C@H]1O2 ZINC000257350327 569280563 /nfs/dbraw/zinc/28/05/63/569280563.db2.gz WJIXKJVODIQPNM-DFPJVFEVSA-N 0 0 444.700 7.376 50 30 IKEARN C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@@]1(O)C1=CCCC[C@@H]1[Si](C)(C)c1ccccc1)C2(C)C ZINC000257355462 569280765 /nfs/dbraw/zinc/28/07/65/569280765.db2.gz AUXKMQHVEKOAFZ-SNQOQQGOSA-N 0 0 440.700 5.425 50 30 IKEARN C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O ZINC000257357611 569280874 /nfs/dbraw/zinc/28/08/74/569280874.db2.gz PBCULPOTNCGYFY-VAOMLINUSA-N 0 0 442.596 5.328 50 30 IKEARN C=C[C@@H](CC[C@]1(CC[C@@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1 ZINC000257358556 569280940 /nfs/dbraw/zinc/28/09/40/569280940.db2.gz VDGIQSSYFMFIRB-JBNMYPGFSA-N 0 0 436.686 7.980 50 30 IKEARN CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12CC ZINC000257358708 569280985 /nfs/dbraw/zinc/28/09/85/569280985.db2.gz VWPWDINLQRVKPK-MVTMSODMSA-N 0 0 442.684 7.571 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000257358571 569280989 /nfs/dbraw/zinc/28/09/89/569280989.db2.gz VEEBKUQFPONGGR-XOGGIGDWSA-N 0 0 444.700 7.171 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 ZINC000253498501 569283223 /nfs/dbraw/zinc/28/32/23/569283223.db2.gz BKFIBDWKIPCPQA-DAMSHEIPSA-N 0 0 441.597 5.755 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000253497878 569283266 /nfs/dbraw/zinc/28/32/66/569283266.db2.gz YGBQOUNQDOEMKJ-QWKBHQLBSA-N 0 0 445.430 6.880 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000253497877 569283336 /nfs/dbraw/zinc/28/33/36/569283336.db2.gz YGBQOUNQDOEMKJ-MQILXLMVSA-N 0 0 445.430 6.880 50 30 IKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253499437 569283400 /nfs/dbraw/zinc/28/34/00/569283400.db2.gz HDTQUHRXMVKWMI-GCMMKGCVSA-N 0 0 442.728 8.638 50 30 biogenic IKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253499436 569283411 /nfs/dbraw/zinc/28/34/11/569283411.db2.gz HDTQUHRXMVKWMI-CABDSGELSA-N 0 0 442.728 8.638 50 30 biogenic IKEARN CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501613 569283581 /nfs/dbraw/zinc/28/35/81/569283581.db2.gz NKJYZYWCGKSMSV-WQGQLRQUSA-N 0 0 442.640 6.360 50 30 IKEARN C=C(C)[C@H]1CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253531388 569283963 /nfs/dbraw/zinc/28/39/63/569283963.db2.gz IIMYCYVBVMITJJ-VQPZRFJJSA-N 0 0 425.657 6.062 50 30 IKEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000000662163 569284947 /nfs/dbraw/zinc/28/49/47/569284947.db2.gz YZBLQCRZFWLMQD-UHFFFAOYSA-N 0 0 443.450 5.378 50 30 IKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NC3CCCC3)n2)cc1 ZINC000000662332 569284966 /nfs/dbraw/zinc/28/49/66/569284966.db2.gz SAZSAFCWQHBNKT-UHFFFAOYSA-N 0 0 449.601 5.508 50 30 IKEARN Cc1cc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c(C)c1 ZINC000000715943 569285093 /nfs/dbraw/zinc/28/50/93/569285093.db2.gz NAZZSVLHQJMKFS-UHFFFAOYSA-N 0 0 431.561 5.748 50 30 IKEARN CCOc1ccc(N=C(C)/C=C2\SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1 ZINC000334157278 569285668 /nfs/dbraw/zinc/28/56/68/569285668.db2.gz SWONQMMWZNRXGB-XLXDYZCMSA-N 0 0 430.573 6.118 50 30 IKEARN CCCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002368294 569288720 /nfs/dbraw/zinc/28/87/20/569288720.db2.gz XEBADOYWFORDCF-UHFFFAOYSA-N 0 0 428.583 5.031 50 30 IKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000002376015 569289336 /nfs/dbraw/zinc/28/93/36/569289336.db2.gz OXBUWOPINDVTJF-STZFKDTASA-N 0 0 447.585 5.244 50 30 IKEARN N#Cc1c(-c2ccc(Br)cc2)cc(C2CC2)nc1SCC(=O)c1ccccc1 ZINC000008397658 569289623 /nfs/dbraw/zinc/28/96/23/569289623.db2.gz BVAYJGWWHFBXLR-UHFFFAOYSA-N 0 0 449.373 6.235 50 30 IKEARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000008412077 569289729 /nfs/dbraw/zinc/28/97/29/569289729.db2.gz BMDCETVCGHPDNF-UHFFFAOYSA-N 0 0 434.564 6.879 50 30 IKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCc1ccccc1Cl ZINC000008443203 569289814 /nfs/dbraw/zinc/28/98/14/569289814.db2.gz JCNUPQXBLWLZBV-UHFFFAOYSA-N 0 0 430.935 7.372 50 30 IKEARN N#Cc1c(-c2ccc(Br)cc2)c(/C=C/c2ccccc2)nn1-c1ccccc1 ZINC000008438089 569289817 /nfs/dbraw/zinc/28/98/17/569289817.db2.gz VINKLNLSNHREPZ-LFIBNONCSA-N 0 0 426.317 6.344 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCCC3CCCCC3)n2)cc1 ZINC000008445869 569289820 /nfs/dbraw/zinc/28/98/20/569289820.db2.gz SPXMZEMPFALQKB-UHFFFAOYSA-N 0 0 442.628 7.748 50 30 IKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCc3ccccc3)n2)cc1 ZINC000008445812 569289826 /nfs/dbraw/zinc/28/98/26/569289826.db2.gz RSEWWOULIYWKGS-UHFFFAOYSA-N 0 0 442.971 7.242 50 30 IKEARN N#Cc1c(SC/C=C/c2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000008443092 569289833 /nfs/dbraw/zinc/28/98/33/569289833.db2.gz IDFYAPSUCOWTBB-XBXARRHUSA-N 0 0 428.557 7.293 50 30 IKEARN Cc1c(C#N)c2nc3c(c(-c4ccc(Br)cc4)c2n1-c1ccccc1)CCCC3 ZINC000008453865 569289878 /nfs/dbraw/zinc/28/98/78/569289878.db2.gz GJGHVBVHCKQBJR-UHFFFAOYSA-N 0 0 442.360 6.514 50 30 IKEARN COc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c(OC)c1OC ZINC000008544624 569289890 /nfs/dbraw/zinc/28/98/90/569289890.db2.gz UFCRYBCNWONLPH-HXUWFJFHSA-N 0 0 445.515 5.490 50 30 IKEARN CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccsc2)c1C#N ZINC000008448668 569289956 /nfs/dbraw/zinc/28/99/56/569289956.db2.gz KKTNITICRNXFAP-UHFFFAOYSA-N 0 0 428.560 5.025 50 30 IKEARN Cc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000008451414 569289960 /nfs/dbraw/zinc/28/99/60/569289960.db2.gz OFIKLJVQMWKART-HYARGMPZSA-N 0 0 440.572 5.712 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(Cl)cc3)c2C#N)cc1 ZINC000008809656 569290778 /nfs/dbraw/zinc/29/07/78/569290778.db2.gz PVTJDUKPZSKMBL-UHFFFAOYSA-N 0 0 442.971 7.242 50 30 IKEARN Clc1cccc(Cl)c1CO/N=C/c1c(SCc2ccccc2)nc2sccn12 ZINC000008855383 569291178 /nfs/dbraw/zinc/29/11/78/569291178.db2.gz DJLCQUWTSYBXCJ-FOKLQQMPSA-N 0 0 448.400 6.546 50 30 IKEARN O=C(Nc1cccc(Cl)c1)O/N=C(/COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000008857084 569291439 /nfs/dbraw/zinc/29/14/39/569291439.db2.gz NCIKMGIFMRFZIU-MOHJPFBDSA-N 0 0 425.828 5.280 50 30 IKEARN CO/N=C/C(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000008873277 569291624 /nfs/dbraw/zinc/29/16/24/569291624.db2.gz BOCLLYUKPLMBIO-GZIVZEMBSA-N 0 0 449.121 5.126 50 30 IKEARN C=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008873548 569291657 /nfs/dbraw/zinc/29/16/57/569291657.db2.gz SSJUTLJNMPPDGD-UHFFFAOYSA-N 0 0 436.596 6.621 50 30 IKEARN CC(=NNc1ccccc1)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008873030 569291734 /nfs/dbraw/zinc/29/17/34/569291734.db2.gz UNXUKMKJJCXIRN-HAHDFKILSA-N 0 0 443.912 5.058 50 30 IKEARN O=S(=O)(C/C(=N\OCc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000008925776 569292430 /nfs/dbraw/zinc/29/24/30/569292430.db2.gz GUOAPEHHBZMISF-DARPEHSRSA-N 0 0 434.344 5.388 50 30 IKEARN CCN(CC)c1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000008932115 569292565 /nfs/dbraw/zinc/29/25/65/569292565.db2.gz YPASWKKHVTXBDW-UHFFFAOYSA-N 0 0 439.607 6.846 50 30 IKEARN CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1 ZINC000009042826 569293035 /nfs/dbraw/zinc/29/30/35/569293035.db2.gz AYCGMPVRBWCDCJ-UHFFFAOYSA-N 0 0 432.911 5.560 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C#N ZINC000009130395 569293824 /nfs/dbraw/zinc/29/38/24/569293824.db2.gz FHPOTEJYQQSYNE-GOEBONIOSA-N 0 0 449.458 5.193 50 30 IKEARN N#Cc1c2c(sc1NC(=O)c1nc(SCc3ccccc3)ncc1Cl)CCCC2 ZINC000027742722 569295362 /nfs/dbraw/zinc/29/53/62/569295362.db2.gz AMZCYSJNZHNRET-UHFFFAOYSA-N 0 0 440.981 5.487 50 30 IKEARN N#Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000009489947 569296750 /nfs/dbraw/zinc/29/67/50/569296750.db2.gz FUJWULVYCABEQW-SJLPKXTDSA-N 0 0 445.832 5.321 50 30 IKEARN N#Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000009489948 569296789 /nfs/dbraw/zinc/29/67/89/569296789.db2.gz FUJWULVYCABEQW-WMZOPIPTSA-N 0 0 445.832 5.321 50 30 IKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)c1 ZINC000009556365 569297301 /nfs/dbraw/zinc/29/73/01/569297301.db2.gz HHBWDDRAJXMVFH-UHFFFAOYSA-N 0 0 445.441 5.817 50 30 IKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000010247417 569299407 /nfs/dbraw/zinc/29/94/07/569299407.db2.gz PMWZFKSNHUXCCJ-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002403345 569299888 /nfs/dbraw/zinc/29/98/88/569299888.db2.gz JFLGUCIZCUDVPR-UHFFFAOYSA-N 0 0 436.943 5.937 50 30 IKEARN COc1ccc(-c2c(C#N)c(SC)nc(C)c2C(=O)Nc2ccccc2C)cc1OC ZINC000002410312 569300799 /nfs/dbraw/zinc/30/07/99/569300799.db2.gz OONIRUMZQLKLIM-UHFFFAOYSA-N 0 0 433.533 5.229 50 30 IKEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O ZINC000002415848 569301394 /nfs/dbraw/zinc/30/13/94/569301394.db2.gz HBAPEQCAOZZERL-IQDOGGMESA-N 0 0 432.859 5.740 50 30 IKEARN COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)/C=C/c2ccc(F)cc2)cc1OC ZINC000011867837 569303097 /nfs/dbraw/zinc/30/30/97/569303097.db2.gz DZTWEIHZRTZXPD-BJMVGYQFSA-N 0 0 440.854 5.612 50 30 IKEARN O=C(COc1ccc2c(c1)OC(=CC1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1 ZINC000002430572 569303303 /nfs/dbraw/zinc/30/33/03/569303303.db2.gz JFFMAWWLKFNPFR-ROTLSHHCSA-N 0 0 444.870 5.537 50 30 IKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002446721 569304501 /nfs/dbraw/zinc/30/45/01/569304501.db2.gz MHXJNNAHAKLEBI-UHFFFAOYSA-N 0 0 432.936 5.760 50 30 IKEARN CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(C)c2)cc1 ZINC000002454168 569304784 /nfs/dbraw/zinc/30/47/84/569304784.db2.gz SMMLCMHGAKSLGY-UHFFFAOYSA-N 0 0 426.545 5.805 50 30 IKEARN CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000012982157 569305869 /nfs/dbraw/zinc/30/58/69/569305869.db2.gz QNWHVGSXGVPWST-UHFFFAOYSA-N 0 0 429.545 5.946 50 30 IKEARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000013039349 569307643 /nfs/dbraw/zinc/30/76/43/569307643.db2.gz AEIRAFWOWIMNBA-GFCCVEGCSA-N 0 0 438.578 5.289 50 30 IKEARN CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000013096924 569309309 /nfs/dbraw/zinc/30/93/09/569309309.db2.gz BZCVZPOWAYMTRN-UHFFFAOYSA-N 0 0 440.293 5.102 50 30 IKEARN COc1cc(C#N)ccc1OC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC000013098224 569309821 /nfs/dbraw/zinc/30/98/21/569309821.db2.gz IVACALCUYKAULJ-UHFFFAOYSA-N 0 0 436.514 5.590 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000013109369 569310143 /nfs/dbraw/zinc/31/01/43/569310143.db2.gz PMMLZTGOZKWWGR-UHFFFAOYSA-N 0 0 425.271 5.328 50 30 IKEARN Cc1cc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000013148677 569312139 /nfs/dbraw/zinc/31/21/39/569312139.db2.gz RSOLWRIPFYTORN-UHFFFAOYSA-N 0 0 441.343 5.705 50 30 IKEARN Cc1cc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n2c3ccccc3nc2c1C#N ZINC000013149708 569312260 /nfs/dbraw/zinc/31/22/60/569312260.db2.gz UOGJGTCIRMLDAJ-UHFFFAOYSA-N 0 0 440.450 5.417 50 30 IKEARN N#Cc1ccsc1NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000013163612 569312411 /nfs/dbraw/zinc/31/24/11/569312411.db2.gz RVQLOGAWLMSVLG-UHFFFAOYSA-N 0 0 426.523 5.161 50 30 IKEARN NC(=O)c1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c(Cl)cc1Cl ZINC000328589858 569316844 /nfs/dbraw/zinc/31/68/44/569316844.db2.gz FKHOAJGVMJIRPD-UHFFFAOYSA-N 0 0 433.266 6.231 50 30 IKEARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1 ZINC000328592539 569317177 /nfs/dbraw/zinc/31/71/77/569317177.db2.gz TZIWJMKSPHCTIW-MRXNPFEDSA-N 0 0 445.560 5.463 50 30 IKEARN CC[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000328592475 569317210 /nfs/dbraw/zinc/31/72/10/569317210.db2.gz VLYRJXLHVQQJKA-XZOQPEGZSA-N 0 0 430.504 5.211 50 30 IKEARN CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NCC2(c3ccccn3)CC2)CC1 ZINC000328596434 569317823 /nfs/dbraw/zinc/31/78/23/569317823.db2.gz PTAGNYZBTFLUHJ-UHFFFAOYSA-N 0 0 449.595 5.308 50 30 IKEARN CC(C)Cc1c(C#N)c(N)nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC000019337928 569318685 /nfs/dbraw/zinc/31/86/85/569318685.db2.gz SEZSGXTYASLHOL-UHFFFAOYSA-N 0 0 426.545 5.248 50 30 IKEARN Cn1c(=O)c(C(=O)/C=C/c2nc3ccccc3[nH]2)c(-c2ccccc2)c2ccc(Cl)cc21 ZINC000079047092 569323114 /nfs/dbraw/zinc/32/31/14/569323114.db2.gz ZAPGQGLSZPGISM-BUHFOSPRSA-N 0 0 439.902 5.631 50 30 IKEARN CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820411 569330024 /nfs/dbraw/zinc/33/00/24/569330024.db2.gz AAMFQGCREVXTKA-UHFFFAOYSA-N 0 0 443.620 6.378 50 30 IKEARN CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCN(c3ccccc3)CC2)n1 ZINC000019820401 569330031 /nfs/dbraw/zinc/33/00/31/569330031.db2.gz CLLSVUBWXFQQSC-UHFFFAOYSA-N 0 0 443.620 5.361 50 30 IKEARN COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c(OC)c1 ZINC000019820326 569330048 /nfs/dbraw/zinc/33/00/48/569330048.db2.gz XIGUEFQAYARWOA-UHFFFAOYSA-N 0 0 434.565 5.795 50 30 IKEARN COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820440 569330080 /nfs/dbraw/zinc/33/00/80/569330080.db2.gz KSHBPWJXTPAVIP-UHFFFAOYSA-N 0 0 438.984 6.440 50 30 IKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Cl ZINC000019841258 569330132 /nfs/dbraw/zinc/33/01/32/569330132.db2.gz AMZLPKIYASITIO-UHFFFAOYSA-N 0 0 433.939 5.712 50 30 IKEARN COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCC4)cc2OC)cc1 ZINC000019840991 569330261 /nfs/dbraw/zinc/33/02/61/569330261.db2.gz KYBXVAZYMIEPBT-UHFFFAOYSA-N 0 0 429.520 5.068 50 30 IKEARN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(F)cc1 ZINC000019857474 569330317 /nfs/dbraw/zinc/33/03/17/569330317.db2.gz ZTYRJLIDPQAWCK-UHFFFAOYSA-N 0 0 429.539 6.196 50 30 IKEARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 ZINC000019852350 569330335 /nfs/dbraw/zinc/33/03/35/569330335.db2.gz CFGCPZUVSMONEC-CQSZACIVSA-N 0 0 447.589 5.380 50 30 IKEARN N#Cc1c(N)nc(SCc2ccc(Br)cc2)c(C#N)c1-c1cccs1 ZINC000019852218 569330369 /nfs/dbraw/zinc/33/03/69/569330369.db2.gz YQBDYMMCYQIUNF-UHFFFAOYSA-N 0 0 427.352 5.190 50 30 IKEARN N#Cc1c(N)nc(SCc2ccccc2Br)c(C#N)c1-c1cccs1 ZINC000019852224 569330401 /nfs/dbraw/zinc/33/04/01/569330401.db2.gz DWVYKVKSJMWFES-UHFFFAOYSA-N 0 0 427.352 5.190 50 30 IKEARN Cc1ccccc1NC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2c1N ZINC000019900753 569331782 /nfs/dbraw/zinc/33/17/82/569331782.db2.gz RJOPKBVOZPWSCU-UHFFFAOYSA-N 0 0 441.560 5.684 50 30 IKEARN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000020033512 569332671 /nfs/dbraw/zinc/33/26/71/569332671.db2.gz OHUXDFROVCRHAM-KGENOOAVSA-N 0 0 433.891 5.662 50 30 IKEARN N#Cc1cc2[nH]c3ccccc3c2nc1N(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000020036514 569332694 /nfs/dbraw/zinc/33/26/94/569332694.db2.gz SQFKFEONBNPGQF-UHFFFAOYSA-N 0 0 439.862 6.619 50 30 IKEARN CC(C)COC(=O)c1cc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)ccc1Cl ZINC000020035588 569332752 /nfs/dbraw/zinc/33/27/52/569332752.db2.gz PSOSDOPBGNGVHK-MOSHPQCFSA-N 0 0 449.890 5.757 50 30 IKEARN CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)ccc1Cl ZINC000020036578 569332784 /nfs/dbraw/zinc/33/27/84/569332784.db2.gz YCDNLYMLGTVPIN-RGEXLXHISA-N 0 0 435.863 5.511 50 30 IKEARN COc1cc(Br)cc(C=Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1O ZINC000020075289 569333823 /nfs/dbraw/zinc/33/38/23/569333823.db2.gz ONHYFHCPXLDSAN-BHGWPJFGSA-N 0 0 440.272 5.596 50 30 IKEARN O=C1/C(=C/c2cc(Br)cs2)CCC/C1=C\c1cc(Br)cs1 ZINC000020115609 569335011 /nfs/dbraw/zinc/33/50/11/569335011.db2.gz KGCRDLSSNNHMBD-ZVSIBQGLSA-N 0 0 444.213 6.555 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3noc4c3CCc3ccccc3-4)sc2C1 ZINC000020137769 569335221 /nfs/dbraw/zinc/33/52/21/569335221.db2.gz JDWZNYXLRZPBNZ-OAHLLOKOSA-N 0 0 431.561 5.777 50 30 IKEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)c1 ZINC000020132836 569335423 /nfs/dbraw/zinc/33/54/23/569335423.db2.gz MOKIVHYYRCSKMZ-BUVRLJJBSA-N 0 0 432.545 5.098 50 30 IKEARN COc1ccc([C@@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134799 569335759 /nfs/dbraw/zinc/33/57/59/569335759.db2.gz GIHWLBZUBFIBJV-FQEVSTJZSA-N 0 0 444.491 5.194 50 30 IKEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1ccc(OCc2ccccc2)cc1)CC(=O)N3 ZINC000020150259 569336205 /nfs/dbraw/zinc/33/62/05/569336205.db2.gz IXHIHSJYVCEXNU-SFHVURJKSA-N 0 0 440.528 5.761 50 30 IKEARN C=CCSC1=N/C(=C\c2ccc(OC)cc2OC)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152171 569336612 /nfs/dbraw/zinc/33/66/12/569336612.db2.gz ZJUJBIUOAOEXMO-ZDLGFXPLSA-N 0 0 432.904 5.159 50 30 IKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCOCC1 ZINC000020218942 569356852 /nfs/dbraw/zinc/35/68/52/569356852.db2.gz SJHOWINNHQPQFY-UHFFFAOYSA-N 0 0 444.749 6.084 50 30 IKEARN COc1c2c(cc3c1[C@@H](C#CCOc1cc(C)c(Cl)cc1C(C)C)N(C)CC3)OCO2 ZINC000020410459 569364000 /nfs/dbraw/zinc/36/40/00/569364000.db2.gz SCRVHZJAEBYCPQ-HXUWFJFHSA-N 0 0 441.955 5.121 50 30 biogenic IKEARN N#Cc1cccnc1NCc1cccc(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c1 ZINC000095468192 569371183 /nfs/dbraw/zinc/37/11/83/569371183.db2.gz UDYUSTHNFHQUAT-UHFFFAOYSA-N 0 0 439.450 5.144 50 30 IKEARN CCCC/N=C(\C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1NC(C)=O ZINC000020616451 569374614 /nfs/dbraw/zinc/37/46/14/569374614.db2.gz MZSLLKDEBQZAIF-XHPQRKPJSA-N 0 0 439.865 5.545 50 30 IKEARN CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000254487167 569374950 /nfs/dbraw/zinc/37/49/50/569374950.db2.gz SDLIEYULIJAVBE-GSDHBNRESA-N 0 0 431.539 5.982 50 30 IKEARN Cn1cc([C@H](CC(=O)NCc2ccccc2)c2cccc(C#N)c2Cl)c2ccccc21 ZINC000096292486 569391322 /nfs/dbraw/zinc/39/13/22/569391322.db2.gz FBDLXDQCWQUDOW-JOCHJYFZSA-N 0 0 427.935 5.542 50 30 IKEARN CCCCN1c2ccccc2C(=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)C1=O ZINC000096576494 569401462 /nfs/dbraw/zinc/40/14/62/569401462.db2.gz FGSBTRALSWEUPG-VHEBQXMUSA-N 0 0 425.941 5.897 50 30 IKEARN CC(C)(C)[C@@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1ccc(Cl)cc1 ZINC000096579892 569401589 /nfs/dbraw/zinc/40/15/89/569401589.db2.gz OTFAKJFWVGHUCT-AWEZNQCLSA-N 0 0 448.766 5.110 50 30 IKEARN CN1c2ccccc2S/C1=C\C(=O)CCCCC(=O)/C=C1\Sc2ccccc2N1C ZINC000096581364 569401641 /nfs/dbraw/zinc/40/16/41/569401641.db2.gz HNDDHEMDAHTJRE-MPKYGIEOSA-N 0 0 436.602 5.852 50 30 IKEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000096581735 569401815 /nfs/dbraw/zinc/40/18/15/569401815.db2.gz FDOYTZLMGCXOMF-LZYBPNLTSA-N 0 0 434.333 5.917 50 30 IKEARN O=C(/C=C\c1ccc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1 ZINC000096767041 569402376 /nfs/dbraw/zinc/40/23/76/569402376.db2.gz HHYLNDUEXQCOKD-LUAWRHEFSA-N 0 0 438.321 5.442 50 30 IKEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 ZINC000002504204 569406214 /nfs/dbraw/zinc/40/62/14/569406214.db2.gz XNSMVGXIAJTCIL-AWEZNQCLSA-N 0 0 443.569 5.119 50 30 IKEARN CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052166 569406792 /nfs/dbraw/zinc/40/67/92/569406792.db2.gz AHLJQHUISPHXIK-UZUQRXQVSA-N 0 0 434.923 5.993 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1OC ZINC000028052517 569406809 /nfs/dbraw/zinc/40/68/09/569406809.db2.gz HUMNHWCCBPONDM-KOSHJBKYSA-N 0 0 430.504 5.267 50 30 IKEARN Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051620 569406871 /nfs/dbraw/zinc/40/68/71/569406871.db2.gz ACQYNELHLXNPJA-IERDGZPVSA-N 0 0 435.321 5.704 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(C)cc4)ccc3C1=O)cn2C ZINC000028182497 569408712 /nfs/dbraw/zinc/40/87/12/569408712.db2.gz DMUGLWRDOVUJHV-ZRGSRPPYSA-N 0 0 425.484 5.691 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(OC)c4)ccc3C1=O)cn2C ZINC000028182714 569408760 /nfs/dbraw/zinc/40/87/60/569408760.db2.gz WZAIHFAOJMPCHQ-ZRGSRPPYSA-N 0 0 441.483 5.391 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2ccccc21 ZINC000028182520 569408763 /nfs/dbraw/zinc/40/87/63/569408763.db2.gz KPFGZUKGBBDUER-YSMPRRRNSA-N 0 0 439.511 6.173 50 30 IKEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000028182798 569408769 /nfs/dbraw/zinc/40/87/69/569408769.db2.gz CYWOHMRXGGESRQ-VXHGTMSESA-N 0 0 446.547 5.224 50 30 IKEARN Cc1c2c(ccc1OCc1c(F)cccc1Cl)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182592 569408779 /nfs/dbraw/zinc/40/87/79/569408779.db2.gz SKHUFRCZPOGCOW-MSXFZWOLSA-N 0 0 447.893 6.474 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O ZINC000002618969 569410587 /nfs/dbraw/zinc/41/05/87/569410587.db2.gz CWUQHJVMHLIYPO-GFCCVEGCSA-N 0 0 434.348 5.009 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C ZINC000002619834 569410783 /nfs/dbraw/zinc/41/07/83/569410783.db2.gz BLLABKBKLXTLSE-UHFFFAOYSA-N 0 0 432.549 5.166 50 30 IKEARN N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/N1CCCC1 ZINC000002622251 569411138 /nfs/dbraw/zinc/41/11/38/569411138.db2.gz ZXXINQMANVQBOA-DFKUXCBWSA-N 0 0 430.555 6.498 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(Nc4ccccc4)s3)sc2C1 ZINC000002626942 569411777 /nfs/dbraw/zinc/41/17/77/569411777.db2.gz OXDHHQYCDWXIAB-GFCCVEGCSA-N 0 0 441.607 5.070 50 30 IKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000215710355 569413239 /nfs/dbraw/zinc/41/32/39/569413239.db2.gz LCVFUUXFXMTWSF-UHFFFAOYSA-N 0 0 448.857 5.418 50 30 IKEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000215706835 569413270 /nfs/dbraw/zinc/41/32/70/569413270.db2.gz KYVLKDUBOZKQMU-UHFFFAOYSA-N 0 0 428.439 5.073 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)c(C)cc1C ZINC000002638479 569413435 /nfs/dbraw/zinc/41/34/35/569413435.db2.gz CRRFRRVRBZDTPZ-UHFFFAOYSA-N 0 0 425.529 5.082 50 30 IKEARN Cc1cc(C(=O)CON=C2c3ccccc3-c3ccccc32)c(C)n1Cc1cccs1 ZINC000002645639 569414117 /nfs/dbraw/zinc/41/41/17/569414117.db2.gz DZBWVGODSUSAQY-UHFFFAOYSA-N 0 0 426.541 5.847 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C#N)c1C ZINC000002734229 569419011 /nfs/dbraw/zinc/41/90/11/569419011.db2.gz JNWNCZKUZXXNKH-UHFFFAOYSA-N 0 0 445.544 5.287 50 30 IKEARN CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)cc1 ZINC000002739311 569419193 /nfs/dbraw/zinc/41/91/93/569419193.db2.gz CLPDLIRHZNCABD-NHCUHLMSSA-N 0 0 434.992 6.881 50 30 IKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000002742229 569419799 /nfs/dbraw/zinc/41/97/99/569419799.db2.gz KMVQYZAWHWLFOY-GAJHUEQPSA-N 0 0 432.614 6.607 50 30 IKEARN Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)sc2c1 ZINC000002740658 569419802 /nfs/dbraw/zinc/41/98/02/569419802.db2.gz FLBNUXFKJHFBST-CYBMUJFWSA-N 0 0 443.037 7.200 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1 ZINC000002744320 569419814 /nfs/dbraw/zinc/41/98/14/569419814.db2.gz JKKZDNGUKYWROQ-SFHVURJKSA-N 0 0 442.584 6.254 50 30 IKEARN C#CCOc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 ZINC000002745099 569419962 /nfs/dbraw/zinc/41/99/62/569419962.db2.gz ZEIPSOYTXCIMJG-QHCPKHFHSA-N 0 0 447.332 5.541 50 30 IKEARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 ZINC000002756813 569420349 /nfs/dbraw/zinc/42/03/49/569420349.db2.gz UMMQOWRJBFAPFS-HDMKSOMJSA-N 0 0 427.718 7.871 50 30 IKEARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(Cl)c1 ZINC000002756821 569420363 /nfs/dbraw/zinc/42/03/63/569420363.db2.gz SUJMRLHEGFTHJI-KMKHTYBGSA-N 0 0 443.333 8.371 50 30 IKEARN COc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3o2)cc1 ZINC000002756904 569420411 /nfs/dbraw/zinc/42/04/11/569420411.db2.gz DNAKIAZHCDTYCD-CZMNVGCUSA-N 0 0 433.305 6.682 50 30 IKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Br)cc3)sc2C1 ZINC000002753089 569420418 /nfs/dbraw/zinc/42/04/18/569420418.db2.gz IWAOPYIYVVRETN-VQCVXAJWSA-N 0 0 443.410 6.185 50 30 IKEARN N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)scc1-c1ccc(Cl)cc1Cl ZINC000002773710 569420844 /nfs/dbraw/zinc/42/08/44/569420844.db2.gz KUQLGIUXWZWAMD-UHFFFAOYSA-N 0 0 449.362 7.513 50 30 IKEARN COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F ZINC000002792429 569421551 /nfs/dbraw/zinc/42/15/51/569421551.db2.gz YDOQOOZSHDYPDV-ZDUSSCGKSA-N 0 0 434.508 5.633 50 30 IKEARN CCn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 ZINC000002791616 569421603 /nfs/dbraw/zinc/42/16/03/569421603.db2.gz WGWGVQRXUWIMDA-NSHDSACASA-N 0 0 435.391 5.002 50 30 IKEARN N#Cc1ccccc1CSc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1 ZINC000002846898 569423341 /nfs/dbraw/zinc/42/33/41/569423341.db2.gz YIGYFSXEWJVNBV-UHFFFAOYSA-N 0 0 432.552 6.175 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c(F)c1 ZINC000002880773 569423984 /nfs/dbraw/zinc/42/39/84/569423984.db2.gz OFEABBHERNUUTD-UHFFFAOYSA-N 0 0 441.849 6.564 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2C1 ZINC000002880199 569423985 /nfs/dbraw/zinc/42/39/85/569423985.db2.gz YKFVCOQAAONHKV-HNNXBMFYSA-N 0 0 440.524 5.770 50 30 IKEARN COc1c(Br)c2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002884922 569424079 /nfs/dbraw/zinc/42/40/79/569424079.db2.gz NYYJPWLOYAWSTI-UHFFFAOYSA-N 0 0 427.323 5.285 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c(F)c1 ZINC000002890251 569424086 /nfs/dbraw/zinc/42/40/86/569424086.db2.gz WTVWIOONVPJKQC-UHFFFAOYSA-N 0 0 436.240 5.520 50 30 IKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2 ZINC000226760000 569429228 /nfs/dbraw/zinc/42/92/28/569429228.db2.gz RGXYSKFXYUNLBJ-WHEFHEQHSA-N 0 0 442.467 5.708 50 30 IKEARN N#Cc1c(NC(=O)COc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000002964577 569432615 /nfs/dbraw/zinc/43/26/15/569432615.db2.gz PRCXAPJWDVGKNL-UHFFFAOYSA-N 0 0 428.875 6.156 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)ccc1O ZINC000002963208 569432790 /nfs/dbraw/zinc/43/27/90/569432790.db2.gz PJXIQRBEKIUKFA-DEOSSOPVSA-N 0 0 448.360 6.617 50 30 IKEARN CCC1N=NC(=S)N1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000254765918 569435100 /nfs/dbraw/zinc/43/51/00/569435100.db2.gz NJQGLEMIZLJEQA-UHFFFAOYSA-N 0 0 444.560 5.169 50 30 IKEARN Cc1ccc(-n2c3nc(SCC#N)n(-c4ccccc4)c(=O)c3sc2=S)cc1C ZINC000003026452 569436260 /nfs/dbraw/zinc/43/62/60/569436260.db2.gz MBDBTPGQSGCBEJ-UHFFFAOYSA-N 0 0 436.587 5.200 50 30 IKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2Cl)ccc1Sc1ccccc1 ZINC000003028599 569436506 /nfs/dbraw/zinc/43/65/06/569436506.db2.gz BGRCEWDKKXUISS-FSJBWODESA-N 0 0 433.316 6.604 50 30 IKEARN CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1ccc(Cl)cc1)c2C ZINC000003033329 569437799 /nfs/dbraw/zinc/43/77/99/569437799.db2.gz VWRKWJLUKVOOCN-UHFFFAOYSA-N 0 0 426.992 5.681 50 30 IKEARN CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1ccccc1Cl)c2C ZINC000003033379 569437893 /nfs/dbraw/zinc/43/78/93/569437893.db2.gz AHSOHTDAMNXUGB-UHFFFAOYSA-N 0 0 426.992 5.681 50 30 IKEARN C=CCN1c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccccc2C1=O ZINC000003040708 569438415 /nfs/dbraw/zinc/43/84/15/569438415.db2.gz NXFQISWGNTZBHT-UHFFFAOYSA-N 0 0 448.975 5.610 50 30 IKEARN CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000003041561 569438455 /nfs/dbraw/zinc/43/84/55/569438455.db2.gz PZTGSQYCZAAUHW-QYQHSDTDSA-N 0 0 448.979 5.140 50 30 IKEARN Cc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2cccc(Cl)c2)C1=O ZINC000003041555 569438459 /nfs/dbraw/zinc/43/84/59/569438459.db2.gz LECRURPEDDHNCW-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3cc(C)ccc3C)C2=O)c1 ZINC000003041796 569438477 /nfs/dbraw/zinc/43/84/77/569438477.db2.gz DXNQNHGRGUXLJH-COOPMVRXSA-N 0 0 442.588 5.158 50 30 IKEARN Cc1cc(C)cc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000003041500 569438489 /nfs/dbraw/zinc/43/84/89/569438489.db2.gz JIIDCHBOTURGEC-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN C/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C ZINC000230145114 569439505 /nfs/dbraw/zinc/43/95/05/569439505.db2.gz NOGLDMOKBGVJSZ-UPBOQZGBSA-N 0 0 425.312 5.243 50 30 IKEARN O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl ZINC000003063940 569439669 /nfs/dbraw/zinc/43/96/69/569439669.db2.gz DBETYSVULBSNSH-QLYXXIJNSA-N 0 0 445.733 6.115 50 30 IKEARN CC(C)CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000003064271 569439711 /nfs/dbraw/zinc/43/97/11/569439711.db2.gz FOLCWDRFXVWUFU-CLCOLTQESA-N 0 0 439.726 5.487 50 30 IKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 ZINC000003079744 569439856 /nfs/dbraw/zinc/43/98/56/569439856.db2.gz RXNMJZFQBSLDQP-ZMOGYAJESA-N 0 0 435.277 5.795 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1 ZINC000230211275 569440111 /nfs/dbraw/zinc/44/01/11/569440111.db2.gz NOASPRHBQUYARN-VXNXHJTFSA-N 0 0 436.902 5.019 50 30 IKEARN CCOC(=O)c1cc(C#N)c(Sc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000003104573 569440252 /nfs/dbraw/zinc/44/02/52/569440252.db2.gz VYOPDHXBVIFMAH-UHFFFAOYSA-N 0 0 428.435 5.967 50 30 IKEARN COc1cccc(C(=O)Nc2ccc(Sc3cccc(C(F)(F)F)c3)c(C#N)c2)c1 ZINC000003104542 569440265 /nfs/dbraw/zinc/44/02/65/569440265.db2.gz HMYZYGHEDAOSLM-UHFFFAOYSA-N 0 0 428.435 5.989 50 30 IKEARN Cc1ccccc1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000003104532 569440272 /nfs/dbraw/zinc/44/02/72/569440272.db2.gz CNAPUXNPVDQKDK-UHFFFAOYSA-N 0 0 445.327 5.259 50 30 IKEARN COc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 ZINC000003104543 569440280 /nfs/dbraw/zinc/44/02/80/569440280.db2.gz WGHLTQBJSFIOFC-UHFFFAOYSA-N 0 0 429.328 6.277 50 30 IKEARN O=P1(N=C(c2ccccc2)c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003168565 569441149 /nfs/dbraw/zinc/44/11/49/569441149.db2.gz PAVIJMZOGJQURT-UHFFFAOYSA-N 0 0 447.474 7.830 50 30 IKEARN CCCC[C@H](CC)Cn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(F)cc1 ZINC000003169273 569441155 /nfs/dbraw/zinc/44/11/55/569441155.db2.gz USCHVSWARHJZMV-KRWDZBQOSA-N 0 0 443.526 6.064 50 30 IKEARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000003171736 569441179 /nfs/dbraw/zinc/44/11/79/569441179.db2.gz CKFCGVWAOXBROO-CQSZACIVSA-N 0 0 429.263 5.412 50 30 IKEARN FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000003177507 569441257 /nfs/dbraw/zinc/44/12/57/569441257.db2.gz NCRXMKZGGATECI-JTQLQIEISA-N 0 0 436.418 5.035 50 30 IKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)sc2C1 ZINC000003187545 569441381 /nfs/dbraw/zinc/44/13/81/569441381.db2.gz IHTOWHBDBBZZOW-OAHLLOKOSA-N 0 0 436.964 6.229 50 30 IKEARN Fc1ccc(NC(=S)Nc2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 ZINC000003191464 569441526 /nfs/dbraw/zinc/44/15/26/569441526.db2.gz WVYFADMSFVNOTR-UHFFFAOYSA-N 0 0 446.388 6.517 50 30 IKEARN CC(C)Oc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000003201990 569441607 /nfs/dbraw/zinc/44/16/07/569441607.db2.gz DJWVIWYZUSMVKQ-UHFFFAOYSA-N 0 0 446.510 6.959 50 30 IKEARN O=C(c1cc(Br)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc2ccccc2o1 ZINC000003219115 569441939 /nfs/dbraw/zinc/44/19/39/569441939.db2.gz QHMHFCVYDZWXGM-BJKOFHAPSA-N 0 0 449.300 6.097 50 30 biogenic IKEARN CCCCCCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003224101 569442082 /nfs/dbraw/zinc/44/20/82/569442082.db2.gz CPDCAGFQRAIFNC-UHFFFAOYSA-N 0 0 438.984 6.025 50 30 IKEARN CSc1ccc(Cl)c(C(=O)ONC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000003229610 569442268 /nfs/dbraw/zinc/44/22/68/569442268.db2.gz AQZFTMMCSHXSPD-UHFFFAOYSA-N 0 0 430.309 5.571 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(OC(F)F)cc1 ZINC000003240438 569442587 /nfs/dbraw/zinc/44/25/87/569442587.db2.gz OEZSSOPSVBXHFL-UHFFFAOYSA-N 0 0 439.439 5.351 50 30 IKEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1F)C1C(=O)c3ccccc3C1=N2 ZINC000003257876 569443138 /nfs/dbraw/zinc/44/31/38/569443138.db2.gz RTHZACLUPASDJR-JOCHJYFZSA-N 0 0 425.438 5.624 50 30 IKEARN N#Cc1ccc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000003276378 569443739 /nfs/dbraw/zinc/44/37/39/569443739.db2.gz UOYOFCZIUIHZFB-UHFFFAOYSA-N 0 0 436.920 5.299 50 30 IKEARN N#Cc1ccc(Oc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)cc1 ZINC000003284384 569444010 /nfs/dbraw/zinc/44/40/10/569444010.db2.gz KZGKJOBQSVPIEE-UHFFFAOYSA-N 0 0 449.988 6.790 50 30 IKEARN N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003292497 569444471 /nfs/dbraw/zinc/44/44/71/569444471.db2.gz OOCUOZDGTOKSNN-UHFFFAOYSA-N 0 0 447.903 5.284 50 30 IKEARN C=C(C)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OCC)cc1 ZINC000003298077 569444843 /nfs/dbraw/zinc/44/48/43/569444843.db2.gz KYJULACEZMKUHU-UHFFFAOYSA-N 0 0 430.371 5.764 50 30 IKEARN CCc1ccc(NC(=O)C(C#N)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000003298806 569444895 /nfs/dbraw/zinc/44/48/95/569444895.db2.gz QNTNCAPULDBWSN-UHFFFAOYSA-N 0 0 437.370 6.490 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(C)c(C)cc1C ZINC000003299521 569444914 /nfs/dbraw/zinc/44/49/14/569444914.db2.gz MQKJAFXEVOQAKW-UHFFFAOYSA-N 0 0 441.984 5.597 50 30 IKEARN COc1ccc(OC)c(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)c1 ZINC000003321856 569446028 /nfs/dbraw/zinc/44/60/28/569446028.db2.gz SPLVCGAWDKVIEL-UHFFFAOYSA-N 0 0 442.544 5.424 50 30 IKEARN Cc1cc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003323904 569446102 /nfs/dbraw/zinc/44/61/02/569446102.db2.gz UEGMGOPTKBCILK-UHFFFAOYSA-N 0 0 442.500 5.070 50 30 IKEARN N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1 ZINC000003360366 569447848 /nfs/dbraw/zinc/44/78/48/569447848.db2.gz BTMFXRUJRXXGFY-UHFFFAOYSA-N 0 0 447.903 5.284 50 30 IKEARN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)cc1 ZINC000003364228 569447890 /nfs/dbraw/zinc/44/78/90/569447890.db2.gz OQZPFRLYBJVEEF-UHFFFAOYSA-N 0 0 428.561 6.048 50 30 IKEARN CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 ZINC000003419632 569450027 /nfs/dbraw/zinc/45/00/27/569450027.db2.gz MWBYKHRHSIVOPB-SFHVURJKSA-N 0 0 442.997 5.734 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)s1 ZINC000003412735 569450181 /nfs/dbraw/zinc/45/01/81/569450181.db2.gz DPRXFBGXUAFXHV-UHFFFAOYSA-N 0 0 440.377 5.386 50 30 IKEARN C=CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003431179 569450822 /nfs/dbraw/zinc/45/08/22/569450822.db2.gz QZXZHNAZUACNGW-UHFFFAOYSA-N 0 0 429.885 5.213 50 30 IKEARN COc1cc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)ccc1OCc1ccccc1C#N ZINC000030952914 569451613 /nfs/dbraw/zinc/45/16/13/569451613.db2.gz DPTQZUSDFNKGFM-RUZDIDTESA-N 0 0 442.906 5.635 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000003462383 569451903 /nfs/dbraw/zinc/45/19/03/569451903.db2.gz NOAWEEYYENTJKQ-UHFFFAOYSA-N 0 0 432.504 6.173 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C)c1 ZINC000003481421 569452332 /nfs/dbraw/zinc/45/23/32/569452332.db2.gz AXBDESUSFNEMOH-UHFFFAOYSA-N 0 0 440.952 5.282 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccnc5ccccc53)CC(=O)O4)C2=O)cc1 ZINC000217759562 569452824 /nfs/dbraw/zinc/45/28/24/569452824.db2.gz XHQWTGPOCVGBEE-ZPZBNPFISA-N 0 0 449.462 5.301 50 30 biogenic IKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000003584539 569454438 /nfs/dbraw/zinc/45/44/38/569454438.db2.gz DCBYIRUBXMRJLX-QOMWVZHYSA-N 0 0 427.544 6.924 50 30 IKEARN CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl ZINC000003587583 569454509 /nfs/dbraw/zinc/45/45/09/569454509.db2.gz XTKFNARCIPOJRZ-VULFUBBASA-N 0 0 442.991 5.774 50 30 IKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1 ZINC000217910963 569454775 /nfs/dbraw/zinc/45/47/75/569454775.db2.gz OSGKGPMIZSAPTI-JOCHJYFZSA-N 0 0 448.559 6.736 50 30 biogenic IKEARN COc1cc(CN=Nc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1Cl ZINC000003960924 569457221 /nfs/dbraw/zinc/45/72/21/569457221.db2.gz SOSZFTSUIHOAQS-UHFFFAOYSA-N 0 0 429.929 5.341 50 30 IKEARN CCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC ZINC000031783816 569457391 /nfs/dbraw/zinc/45/73/91/569457391.db2.gz WMWORFKLJIAQSB-KSEXSDGBSA-N 0 0 436.364 6.360 50 30 IKEARN COCc1cc(C)nc(N=NCc2ccccc2OCc2cccc3ccccc32)c1C#N ZINC000031839375 569458105 /nfs/dbraw/zinc/45/81/05/569458105.db2.gz ZQJUMGUSGGAEAG-MWLSYYOVSA-N 0 0 436.515 5.586 50 30 IKEARN CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004045651 569458383 /nfs/dbraw/zinc/45/83/83/569458383.db2.gz RBAMBOLZZZFSQB-UHFFFAOYSA-N 0 0 446.532 5.557 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1 ZINC000004065377 569458549 /nfs/dbraw/zinc/45/85/49/569458549.db2.gz YKANPUHHWKGAIN-QDJRPKQISA-N 0 0 435.618 6.302 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000004074962 569458642 /nfs/dbraw/zinc/45/86/42/569458642.db2.gz NSTOXWAGNZTKNY-BCHFMIIMSA-N 0 0 427.479 5.141 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1 ZINC000004083705 569458679 /nfs/dbraw/zinc/45/86/79/569458679.db2.gz YVQQMXWUYNEEDA-SLJQUXCSSA-N 0 0 443.597 6.482 50 30 IKEARN Fc1c(F)c(F)c(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)c(F)c1F ZINC000004082556 569458688 /nfs/dbraw/zinc/45/86/88/569458688.db2.gz VACROBMNCOYMIF-GESPGMLMSA-N 0 0 449.810 6.485 50 30 IKEARN Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c1 ZINC000004083703 569458709 /nfs/dbraw/zinc/45/87/09/569458709.db2.gz MNLZCVCLBDWVQU-SLJQUXCSSA-N 0 0 443.597 6.482 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1Cl ZINC000004107817 569459098 /nfs/dbraw/zinc/45/90/98/569459098.db2.gz IDJDDALRJPOVCS-ZTWBIXGRSA-N 0 0 436.389 5.906 50 30 IKEARN O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000066437605 569462123 /nfs/dbraw/zinc/46/21/23/569462123.db2.gz PGKTZHKRPLXBBA-UHFFFAOYSA-N 0 0 434.902 5.401 50 30 IKEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000066437724 569462165 /nfs/dbraw/zinc/46/21/65/569462165.db2.gz IEXSYUPJWJNYJB-UHFFFAOYSA-N 0 0 426.520 5.007 50 30 IKEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000066437730 569462173 /nfs/dbraw/zinc/46/21/73/569462173.db2.gz JDLKHMGNZHLFDF-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437772 569462184 /nfs/dbraw/zinc/46/21/84/569462184.db2.gz NTEROUPCKCNLMQ-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)c1 ZINC000066437794 569462198 /nfs/dbraw/zinc/46/21/98/569462198.db2.gz SGIKILDACHZMNP-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 biogenic IKEARN CCOc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCCc1c[nH]c2ccccc12 ZINC000066437720 569462206 /nfs/dbraw/zinc/46/22/06/569462206.db2.gz WUGSPQCAFAMBMD-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc(Br)c1O ZINC000008445234 569464787 /nfs/dbraw/zinc/46/47/87/569464787.db2.gz LUGCRIGVRZXROD-LICLKQGHSA-N 0 0 447.354 5.062 50 30 IKEARN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000008450423 569464883 /nfs/dbraw/zinc/46/48/83/569464883.db2.gz HGAINDXZJVTMOM-JJIBRWJFSA-N 0 0 425.484 5.143 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\Cc1ccccc1 ZINC000008628259 569469475 /nfs/dbraw/zinc/46/94/75/569469475.db2.gz PBFNGFZVZGQPST-ZMPCKTLKSA-N 0 0 439.606 5.338 50 30 IKEARN O=c1c(C=[NH+]Cc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000008694283 569470030 /nfs/dbraw/zinc/47/00/30/569470030.db2.gz SMFUSADQVLGPBX-YSURURNPSA-N 0 0 436.846 5.479 50 30 IKEARN CC(=O)Nc1ccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)cc1 ZINC000008695571 569470244 /nfs/dbraw/zinc/47/02/44/569470244.db2.gz SIVPLDBDHPGEHH-UHFFFAOYSA-N 0 0 426.973 5.426 50 30 IKEARN C#CCOc1ccc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OCC ZINC000008722487 569471825 /nfs/dbraw/zinc/47/18/25/569471825.db2.gz IBBXSOAAYSHZEW-DJKKODMXSA-N 0 0 429.303 5.210 50 30 IKEARN COc1ccc(OCc2nnc(SCc3ccccc3C#N)n2-c2ccccc2F)cc1 ZINC000008728063 569472432 /nfs/dbraw/zinc/47/24/32/569472432.db2.gz INXLMEHIVIGMTN-UHFFFAOYSA-N 0 0 446.507 5.158 50 30 IKEARN C/C(=N\OCc1ccc(Cl)cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c(C)n1 ZINC000008733650 569472514 /nfs/dbraw/zinc/47/25/14/569472514.db2.gz QBMZJWBFVTWLAJ-LUOAPIJWSA-N 0 0 443.256 5.842 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000008741057 569472968 /nfs/dbraw/zinc/47/29/68/569472968.db2.gz WJEPMNBLTRWJAB-OAQYLSRUSA-N 0 0 444.512 5.543 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744027 569473033 /nfs/dbraw/zinc/47/30/33/569473033.db2.gz LOTPWLREWPFQNY-NRFANRHFSA-N 0 0 436.895 5.543 50 30 IKEARN C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1OC ZINC000008753945 569473833 /nfs/dbraw/zinc/47/38/33/569473833.db2.gz KMTITJPHGVZHBT-UHFFFAOYSA-N 0 0 438.940 5.740 50 30 IKEARN CC(C)(C)n1nc(-c2ccc(Cl)cc2)c(C#N)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000008762219 569474284 /nfs/dbraw/zinc/47/42/84/569474284.db2.gz RVMWBEYISGSFPX-UHFFFAOYSA-N 0 0 446.860 6.101 50 30 IKEARN FC(F)(F)c1cnc(C(=NNc2ccc(Cl)cc2Cl)c2cccnc2)c(Cl)c1 ZINC000008762788 569474356 /nfs/dbraw/zinc/47/43/56/569474356.db2.gz SWDOARVFIHAZIE-NTFVMDSBSA-N 0 0 445.659 6.320 50 30 IKEARN CC(=O)[C@H](/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008781451 569475645 /nfs/dbraw/zinc/47/56/45/569475645.db2.gz TXCHEWSILUXDLK-GRLVRZOXSA-N 0 0 448.133 5.647 50 30 IKEARN COc1ccc([S@](=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 ZINC000008781514 569475663 /nfs/dbraw/zinc/47/56/63/569475663.db2.gz NULPBHCJUKOVDF-GDLZYMKVSA-N 0 0 445.327 5.293 50 30 IKEARN CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000008781658 569475719 /nfs/dbraw/zinc/47/57/19/569475719.db2.gz WKWJIWMHZHPNDB-IPBVOBEMSA-N 0 0 448.807 6.537 50 30 IKEARN COc1ccc(C(=O)C=CNc2cccn3c(-c4ccc(Cl)c(Cl)c4)cnc23)cc1 ZINC000008782002 569475753 /nfs/dbraw/zinc/47/57/53/569475753.db2.gz GAJMCBGUOCFKJN-ZHACJKMWSA-N 0 0 438.314 6.125 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2c(F)cccc2Cl)C3)cc1 ZINC000008781990 569475772 /nfs/dbraw/zinc/47/57/72/569475772.db2.gz IQUCGUDURTXEDY-AKJBCIBTSA-N 0 0 448.925 6.467 50 30 IKEARN O=C(O/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccs1 ZINC000008782216 569475782 /nfs/dbraw/zinc/47/57/82/569475782.db2.gz SYIZLNNGWLYBJQ-FSJBWODESA-N 0 0 441.965 5.847 50 30 IKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N/OCc2ccc(C)cc2)cc1 ZINC000008782232 569475820 /nfs/dbraw/zinc/47/58/20/569475820.db2.gz MYUQZFOFORBPRB-IKPAITLHSA-N 0 0 436.555 6.719 50 30 IKEARN CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccccc1Cl ZINC000008798216 569476390 /nfs/dbraw/zinc/47/63/90/569476390.db2.gz CINJYHIQHFAGBX-MFKUBSTISA-N 0 0 439.968 5.638 50 30 IKEARN COc1cccc(CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)c1 ZINC000008809683 569476518 /nfs/dbraw/zinc/47/65/18/569476518.db2.gz MEHXWZDGGSFZHP-UHFFFAOYSA-N 0 0 426.516 6.727 50 30 IKEARN CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N ZINC000008809561 569476526 /nfs/dbraw/zinc/47/65/26/569476526.db2.gz BXQMOROUHQKCHM-UHFFFAOYSA-N 0 0 440.521 5.102 50 30 IKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc(-c2cccs2)cc1-c1cccs1 ZINC000008809575 569476533 /nfs/dbraw/zinc/47/65/33/569476533.db2.gz KWCNYNOJFMCELE-UHFFFAOYSA-N 0 0 448.594 6.246 50 30 IKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 ZINC000008809655 569476550 /nfs/dbraw/zinc/47/65/50/569476550.db2.gz TVZGYDFNXIIQQR-UHFFFAOYSA-N 0 0 430.935 7.372 50 30 IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 ZINC000008809791 569476567 /nfs/dbraw/zinc/47/65/67/569476567.db2.gz CWPKVJRKDYJFFN-FNOMLQJYSA-N 0 0 433.382 7.879 50 30 IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 ZINC000008809789 569476616 /nfs/dbraw/zinc/47/66/16/569476616.db2.gz CWPKVJRKDYJFFN-CQVHFZKNSA-N 0 0 433.382 7.879 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008818140 569476909 /nfs/dbraw/zinc/47/69/09/569476909.db2.gz BDFYXGMBRLNPGT-NRFANRHFSA-N 0 0 444.512 5.597 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008818183 569476918 /nfs/dbraw/zinc/47/69/18/569476918.db2.gz UGRMMBSACGWDRF-FQEVSTJZSA-N 0 0 446.553 5.758 50 30 IKEARN Clc1ccc(-c2cn3c(-c4ccccc4)cn(/N=C/c4ccccc4)c3n2)c(Cl)c1 ZINC000008817757 569476943 /nfs/dbraw/zinc/47/69/43/569476943.db2.gz OCLBNJZFPSBELH-MZJWZYIUSA-N 0 0 431.326 6.659 50 30 IKEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1cccc(Br)c1 ZINC000008821155 569477122 /nfs/dbraw/zinc/47/71/22/569477122.db2.gz XDVQKYZJCLHCDN-ZROIWOOFSA-N 0 0 438.144 5.103 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008827770 569477671 /nfs/dbraw/zinc/47/76/71/569477671.db2.gz QNGNYPBBHGLZCA-QHCPKHFHSA-N 0 0 442.471 5.636 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008827769 569477692 /nfs/dbraw/zinc/47/76/92/569477692.db2.gz QNGNYPBBHGLZCA-HSZRJFAPSA-N 0 0 442.471 5.636 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)nc2c(C)c1 ZINC000008838239 569478228 /nfs/dbraw/zinc/47/82/28/569478228.db2.gz AADBBVACNBZLQY-HXUWFJFHSA-N 0 0 446.553 5.758 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000008838240 569478328 /nfs/dbraw/zinc/47/83/28/569478328.db2.gz AADBBVACNBZLQY-FQEVSTJZSA-N 0 0 446.553 5.758 50 30 IKEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2nccs2)n1 ZINC000008843587 569478480 /nfs/dbraw/zinc/47/84/80/569478480.db2.gz GYLIGCPBEYGJTO-UHFFFAOYSA-N 0 0 428.505 5.237 50 30 IKEARN O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000008854667 569479594 /nfs/dbraw/zinc/47/95/94/569479594.db2.gz MWXOYKBNFIYWBT-HHHXNRCGSA-N 0 0 448.497 6.163 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000008854690 569479603 /nfs/dbraw/zinc/47/96/03/569479603.db2.gz WJQZBUOPUBDDJG-NRFANRHFSA-N 0 0 437.417 5.797 50 30 IKEARN Cc1ccc(Sc2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000008855339 569479680 /nfs/dbraw/zinc/47/96/80/569479680.db2.gz RNXAVYFUIGQJQB-FOKLQQMPSA-N 0 0 448.400 6.713 50 30 IKEARN Cc1ccc(Sc2nc3sccn3c2/C=N/OCc2c(Cl)cccc2Cl)cc1 ZINC000008855340 569479685 /nfs/dbraw/zinc/47/96/85/569479685.db2.gz XXGHVJNHWSDZDP-FOKLQQMPSA-N 0 0 448.400 6.713 50 30 IKEARN COc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Cl)ccc2O)cc1 ZINC000008856875 569479811 /nfs/dbraw/zinc/47/98/11/569479811.db2.gz FQKVTLUOWPIQIL-BOHSUASASA-N 0 0 430.895 5.551 50 30 IKEARN C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000008859258 569479826 /nfs/dbraw/zinc/47/98/26/569479826.db2.gz CMVDREQNMYIPNJ-QGKGSZSTSA-N 0 0 441.483 6.181 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2C)SC1=S ZINC000008872402 569480939 /nfs/dbraw/zinc/48/09/39/569480939.db2.gz HTRUGMNHSWVHQG-ZHZULCJRSA-N 0 0 445.993 5.493 50 30 IKEARN C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc4ncccc43)c(=O)oc2c1 ZINC000008879630 569481379 /nfs/dbraw/zinc/48/13/79/569481379.db2.gz WHBWCIFZCYWVNJ-UHFFFAOYSA-N 0 0 428.488 5.176 50 30 biogenic IKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1ccc(F)cc1 ZINC000039404148 569481541 /nfs/dbraw/zinc/48/15/41/569481541.db2.gz WQVOQPMIGSBIIP-UHFFFAOYSA-N 0 0 439.446 6.290 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000008883652 569483070 /nfs/dbraw/zinc/48/30/70/569483070.db2.gz HDDGRPHOCACWHU-JOCHJYFZSA-N 0 0 436.920 5.227 50 30 IKEARN COc1ccc(C(=O)/C(=C\c2cc(OC)c(OC)cc2OC)c2nc3ccccc3o2)cc1 ZINC000008915585 569485559 /nfs/dbraw/zinc/48/55/59/569485559.db2.gz TYQQTMYXCXESNK-CPNJWEJPSA-N 0 0 445.471 5.286 50 30 biogenic IKEARN COc1cccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1OC ZINC000008915592 569485560 /nfs/dbraw/zinc/48/55/60/569485560.db2.gz NBPKBJDLMJFYBF-LTGZKZEYSA-N 0 0 443.499 6.056 50 30 biogenic IKEARN CCOc1ccc(C(=O)/C(=C/c2ccc(O)c(OC)c2)c2nc3ccccc3s2)cc1 ZINC000008915653 569485586 /nfs/dbraw/zinc/48/55/86/569485586.db2.gz USEKHNLHXVKRKA-RGEXLXHISA-N 0 0 431.513 5.833 50 30 IKEARN COc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1OC ZINC000008915589 569485590 /nfs/dbraw/zinc/48/55/90/569485590.db2.gz CZRLFMHIINUUNG-RCCKNPSSSA-N 0 0 443.499 6.056 50 30 biogenic IKEARN COc1ccc(C(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)cc1 ZINC000008917906 569486155 /nfs/dbraw/zinc/48/61/55/569486155.db2.gz KOFWIWVSKFDSOD-ZGNHWWDDSA-N 0 0 442.467 5.138 50 30 biogenic IKEARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000008922599 569486915 /nfs/dbraw/zinc/48/69/15/569486915.db2.gz VBOAJZKGULBSLR-PUHSMXRQSA-N 0 0 431.919 5.055 50 30 IKEARN O=C(/C=C/c1ccccc1F)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008922961 569486985 /nfs/dbraw/zinc/48/69/85/569486985.db2.gz NGXFDLQYGCTPAN-CSKARUKUSA-N 0 0 425.799 5.503 50 30 IKEARN COCc1cc(C)nc(N=NCc2cccc(OCc3cccc4ccccc43)c2)c1C#N ZINC000008925965 569487171 /nfs/dbraw/zinc/48/71/71/569487171.db2.gz NBHYDOIPYNPOQZ-MUFRIFMGSA-N 0 0 436.515 5.586 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000008926462 569487324 /nfs/dbraw/zinc/48/73/24/569487324.db2.gz YBPJLLRZEYXKSF-GVAUOCQISA-N 0 0 437.449 5.249 50 30 IKEARN Cc1ccc(NC=C2SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1Cl ZINC000008927949 569487363 /nfs/dbraw/zinc/48/73/63/569487363.db2.gz RYOWGNWBHJOJCO-RIUOVIGVSA-N 0 0 425.863 5.813 50 30 IKEARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)C=CC=Cc3ccccc3)C2=O)c1 ZINC000008927843 569487404 /nfs/dbraw/zinc/48/74/04/569487404.db2.gz PSFVPAFHAATMEL-YUXPEDDTSA-N 0 0 437.539 5.267 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ncccc4N32)c(C)c1 ZINC000008934219 569487898 /nfs/dbraw/zinc/48/78/98/569487898.db2.gz HJULPICYDRMERV-ZNZIZOMTSA-N 0 0 448.501 5.122 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1 ZINC000040140471 569491599 /nfs/dbraw/zinc/49/15/99/569491599.db2.gz QZLAYNKWUAXCBM-KBPBESRZSA-N 0 0 426.489 5.009 50 30 IKEARN Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 ZINC000008966204 569491703 /nfs/dbraw/zinc/49/17/03/569491703.db2.gz YQRVXKVREOLRIN-KRWDZBQOSA-N 0 0 438.603 5.163 50 30 IKEARN CC(=O)N(c1nc(CSc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl ZINC000040150609 569493165 /nfs/dbraw/zinc/49/31/65/569493165.db2.gz YCRBMWHQRFHBTL-UHFFFAOYSA-N 0 0 427.982 6.262 50 30 IKEARN N#Cc1c(SCc2cc3c(cc2Cl)OCO3)nc(-c2cccs2)c2c1CCCC2 ZINC000008986368 569494843 /nfs/dbraw/zinc/49/48/43/569494843.db2.gz ONRCGBYYULMFDF-UHFFFAOYSA-N 0 0 440.977 6.235 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21 ZINC000008990182 569495022 /nfs/dbraw/zinc/49/50/22/569495022.db2.gz QOXRAPBNUSXXMI-ZMOGYAJESA-N 0 0 427.431 5.636 50 30 IKEARN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2 ZINC000008992355 569495344 /nfs/dbraw/zinc/49/53/44/569495344.db2.gz OJVRAVBIALOSCX-AFPJDJCSSA-N 0 0 438.838 5.541 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C2=O)c2ccccc21 ZINC000008992632 569495347 /nfs/dbraw/zinc/49/53/47/569495347.db2.gz WEPLECKNKAQADG-BUVRLJJBSA-N 0 0 429.516 6.072 50 30 IKEARN CCc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 ZINC000008992511 569495350 /nfs/dbraw/zinc/49/53/50/569495350.db2.gz HFXKAEFQUZNBRX-XKZIYDEJSA-N 0 0 440.904 5.286 50 30 IKEARN O=[N+]([O-])c1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 ZINC000008994319 569495527 /nfs/dbraw/zinc/49/55/27/569495527.db2.gz VMSSRFACACSPJK-CNXRAYQQSA-N 0 0 446.510 6.701 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009014522 569496706 /nfs/dbraw/zinc/49/67/06/569496706.db2.gz PRLQUNVZZGGPIB-LXGWOEDASA-N 0 0 440.455 5.086 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009019403 569496932 /nfs/dbraw/zinc/49/69/32/569496932.db2.gz WPKZLRUQCYVOOI-HSZRJFAPSA-N 0 0 445.515 5.364 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000009019810 569496935 /nfs/dbraw/zinc/49/69/35/569496935.db2.gz CELIVHCDEHZDQM-WCQPBMKCSA-N 0 0 431.561 5.483 50 30 IKEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1OC ZINC000009034290 569497250 /nfs/dbraw/zinc/49/72/50/569497250.db2.gz KFKHHCFYGCYMBX-RWPZCVJISA-N 0 0 432.911 5.804 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 ZINC000009041808 569497576 /nfs/dbraw/zinc/49/75/76/569497576.db2.gz JSFKICSOFRAUDZ-LJQANCHMSA-N 0 0 432.526 5.449 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000009046298 569498360 /nfs/dbraw/zinc/49/83/60/569498360.db2.gz QQLVHETVPXWTBX-NRFANRHFSA-N 0 0 444.487 5.527 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccoc1C ZINC000009056305 569499044 /nfs/dbraw/zinc/49/90/44/569499044.db2.gz ZAYXJLNNWRFYMX-UHFFFAOYSA-N 0 0 446.532 5.556 50 30 IKEARN COc1ccc(/C=N/N(C)c2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 ZINC000009057630 569499171 /nfs/dbraw/zinc/49/91/71/569499171.db2.gz IPQGTILFYCMMCZ-PCLIKHOPSA-N 0 0 431.586 6.440 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(F)cc1)OCCCO4 ZINC000009058675 569499296 /nfs/dbraw/zinc/49/92/96/569499296.db2.gz NVTWLRKJNSNUFL-OAQYLSRUSA-N 0 0 445.534 5.627 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 ZINC000245228661 569499928 /nfs/dbraw/zinc/49/99/28/569499928.db2.gz BKFIBDWKIPCPQA-QQIAEXKYSA-N 0 0 441.597 5.755 50 30 IKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000009067571 569499998 /nfs/dbraw/zinc/49/99/98/569499998.db2.gz GGXZFQFEPIKPTM-PIIWDFAUSA-N 0 0 440.518 6.136 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000009070517 569500090 /nfs/dbraw/zinc/50/00/90/569500090.db2.gz WOTSSRIGUXFNKR-ILBGXUMGSA-N 0 0 427.460 5.402 50 30 IKEARN O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1 ZINC000009076082 569500321 /nfs/dbraw/zinc/50/03/21/569500321.db2.gz XZVFPPHQPOQPAP-AOKXBXCXSA-N 0 0 447.535 5.029 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000009086065 569500614 /nfs/dbraw/zinc/50/06/14/569500614.db2.gz KRMWPKMMWHBYRD-GOSISDBHSA-N 0 0 448.744 5.481 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009087292 569500860 /nfs/dbraw/zinc/50/08/60/569500860.db2.gz RIZHIWRNUHMCIA-HSZRJFAPSA-N 0 0 447.918 5.830 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000245242064 569501138 /nfs/dbraw/zinc/50/11/38/569501138.db2.gz YGBQOUNQDOEMKJ-JMWKZEAVSA-N 0 0 445.430 6.880 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000245241928 569501165 /nfs/dbraw/zinc/50/11/65/569501165.db2.gz UELTYJDTQILMTO-ZXLQENMISA-N 0 0 446.553 6.671 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000245242065 569501189 /nfs/dbraw/zinc/50/11/89/569501189.db2.gz YGBQOUNQDOEMKJ-NDKAXUMMSA-N 0 0 445.430 6.880 50 30 IKEARN C[C@H]1C/C(=C\c2ccc(Br)o2)C(=O)/C(=C\c2ccc(Br)o2)C1 ZINC000245294809 569502410 /nfs/dbraw/zinc/50/24/10/569502410.db2.gz APRXJXKHNDDTQQ-WTMOMKECSA-N 0 0 426.104 5.864 50 30 IKEARN CCN(/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)CC ZINC000009113030 569502505 /nfs/dbraw/zinc/50/25/05/569502505.db2.gz GPRNCHXGVFFGEO-DFKUXCBWSA-N 0 0 432.571 6.744 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)sc1C ZINC000009123674 569504205 /nfs/dbraw/zinc/50/42/05/569504205.db2.gz IPXNMDZBBAOBAZ-IBGZPJMESA-N 0 0 438.936 5.505 50 30 IKEARN C[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000009125599 569504713 /nfs/dbraw/zinc/50/47/13/569504713.db2.gz DRMHMHGWBDFNDR-KRWDZBQOSA-N 0 0 438.000 5.632 50 30 IKEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccccc1C ZINC000009144658 569507345 /nfs/dbraw/zinc/50/73/45/569507345.db2.gz DMCHLOMNJQQCDA-KOEQRZSOSA-N 0 0 435.480 5.206 50 30 IKEARN C=CCN(C(=O)Cn1c(SCc2ccccc2F)nc2cccnc21)c1ccccc1 ZINC000009153290 569508105 /nfs/dbraw/zinc/50/81/05/569508105.db2.gz VBGDNWXAOIDLPK-UHFFFAOYSA-N 0 0 432.524 5.082 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000009186582 569510249 /nfs/dbraw/zinc/51/02/49/569510249.db2.gz RITAFLIKEAQDTQ-XTEPFMGCSA-N 0 0 438.571 6.791 50 30 IKEARN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C#N)cc4F)ccc3o2)c1 ZINC000009189832 569510505 /nfs/dbraw/zinc/51/05/05/569510505.db2.gz ZBPHXUACVVEIAQ-UHFFFAOYSA-N 0 0 444.491 5.249 50 30 IKEARN COc1cccc(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 ZINC000009192131 569510678 /nfs/dbraw/zinc/51/06/78/569510678.db2.gz NIEVCZALFHGUEU-UUYOSTAYSA-N 0 0 427.283 6.197 50 30 IKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000009210206 569511596 /nfs/dbraw/zinc/51/15/96/569511596.db2.gz IPTDFEOIBFRHDS-FBHDLOMBSA-N 0 0 425.267 6.137 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(NC2CCCCC2)c1Cc1ccc(Cl)cc1 ZINC000009210917 569511704 /nfs/dbraw/zinc/51/17/04/569511704.db2.gz ZXFKVGRLXJWXGU-UHFFFAOYSA-N 0 0 428.967 6.656 50 30 IKEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000009215960 569512096 /nfs/dbraw/zinc/51/20/96/569512096.db2.gz RECKHXSVEFITCK-MTJSOVHGSA-N 0 0 425.267 6.137 50 30 IKEARN COc1cc(C(=O)Nc2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 ZINC000009223981 569513076 /nfs/dbraw/zinc/51/30/76/569513076.db2.gz CSFIYDJJCXXHQP-UHFFFAOYSA-N 0 0 437.293 5.161 50 30 IKEARN N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009224102 569513125 /nfs/dbraw/zinc/51/31/25/569513125.db2.gz XBCOCJFFDNNMLS-UHFFFAOYSA-N 0 0 448.548 5.112 50 30 IKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009243114 569514756 /nfs/dbraw/zinc/51/47/56/569514756.db2.gz NXOUPXDCLRTMHD-FLQJWANXSA-N 0 0 443.474 5.407 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Br)cc1 ZINC000009246551 569515416 /nfs/dbraw/zinc/51/54/16/569515416.db2.gz KQWHDJSPWCHABU-IBGZPJMESA-N 0 0 434.333 5.387 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000009271236 569517697 /nfs/dbraw/zinc/51/76/97/569517697.db2.gz IUOMLGBWBNUDHI-JOCHJYFZSA-N 0 0 440.524 5.696 50 30 IKEARN CCC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc32)C1=O ZINC000009271884 569517814 /nfs/dbraw/zinc/51/78/14/569517814.db2.gz SPTWKSVDAFDCRZ-MNWLEOAJSA-N 0 0 446.532 5.382 50 30 IKEARN O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000009272080 569517876 /nfs/dbraw/zinc/51/78/76/569517876.db2.gz ZHQYSJCZMJRFFK-BCHFMIIMSA-N 0 0 440.568 6.059 50 30 IKEARN COc1ccc2nc(Cl)c(CN=Nc3ncnc4scc(-c5ccccc5)c43)cc2c1 ZINC000009292337 569520023 /nfs/dbraw/zinc/52/00/23/569520023.db2.gz OPBSSERVLVFHDS-LUOAPIJWSA-N 0 0 445.935 6.015 50 30 IKEARN C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC ZINC000009295634 569520369 /nfs/dbraw/zinc/52/03/69/569520369.db2.gz OBYLQELKWCYVSP-KGENOOAVSA-N 0 0 441.574 5.060 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009301908 569520777 /nfs/dbraw/zinc/52/07/77/569520777.db2.gz JSDYBNDVMQTLCO-OAQYLSRUSA-N 0 0 444.487 5.527 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1cccc(OC)c1 ZINC000009307620 569521390 /nfs/dbraw/zinc/52/13/90/569521390.db2.gz RFMYMQFXECXETJ-UHFFFAOYSA-N 0 0 436.581 5.213 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000009308112 569521440 /nfs/dbraw/zinc/52/14/40/569521440.db2.gz JSLFILGXJQYXNB-UHFFFAOYSA-N 0 0 437.355 6.405 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000009317154 569522357 /nfs/dbraw/zinc/52/23/57/569522357.db2.gz CZNOAZKYQSRTBM-HSZRJFAPSA-N 0 0 441.556 5.096 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000009348920 569524639 /nfs/dbraw/zinc/52/46/39/569524639.db2.gz QYLQTRKLPHWKAH-GOSISDBHSA-N 0 0 425.410 5.161 50 30 IKEARN CCCC/N=C(\C=C1/SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000009353422 569524933 /nfs/dbraw/zinc/52/49/33/569524933.db2.gz OPWCBPGPXAQPKY-VCIOACDOSA-N 0 0 430.042 6.546 50 30 IKEARN N#C[C@@H](Cc1ccccc1)Sc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000009353474 569524983 /nfs/dbraw/zinc/52/49/83/569524983.db2.gz SWDPUKFADHXPSR-HXUWFJFHSA-N 0 0 430.508 5.212 50 30 IKEARN COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccccc2Br)c1 ZINC000009358282 569525626 /nfs/dbraw/zinc/52/56/26/569525626.db2.gz VASFOVJRNSHEME-PKNBQFBNSA-N 0 0 443.318 5.635 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009370576 569526767 /nfs/dbraw/zinc/52/67/67/569526767.db2.gz UDEBWDUBFAUXAA-NRFANRHFSA-N 0 0 448.862 5.340 50 30 IKEARN Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000009370832 569526772 /nfs/dbraw/zinc/52/67/72/569526772.db2.gz JJOJGHBTMVKRMC-BFEXVFPXSA-N 0 0 429.903 5.831 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009370574 569526804 /nfs/dbraw/zinc/52/68/04/569526804.db2.gz UDEBWDUBFAUXAA-OAQYLSRUSA-N 0 0 448.862 5.340 50 30 IKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O ZINC000009374635 569527072 /nfs/dbraw/zinc/52/70/72/569527072.db2.gz QAUAXJHIFMEREE-JOCHJYFZSA-N 0 0 449.890 5.146 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009374194 569527123 /nfs/dbraw/zinc/52/71/23/569527123.db2.gz FKBCHNZOOUEIAJ-OAQYLSRUSA-N 0 0 438.310 6.085 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009374703 569527244 /nfs/dbraw/zinc/52/72/44/569527244.db2.gz UEUMNXDYKVRGFQ-HSZRJFAPSA-N 0 0 431.919 5.469 50 30 IKEARN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000009380131 569527772 /nfs/dbraw/zinc/52/77/72/569527772.db2.gz XCUAWQHGEKFLGL-QFIPXVFZSA-N 0 0 431.875 5.326 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000009380225 569527892 /nfs/dbraw/zinc/52/78/92/569527892.db2.gz MGLATFUNRHULEZ-OTQXGJDPSA-N 0 0 429.447 5.017 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009380653 569528018 /nfs/dbraw/zinc/52/80/18/569528018.db2.gz SNKHLBGAXQLCIW-QFIPXVFZSA-N 0 0 432.907 5.189 50 30 IKEARN Cc1c(C#N)c(NC(=O)/C=C\c2ccccc2Cl)sc1Cc1ccc2c(c1)OCO2 ZINC000009390692 569528771 /nfs/dbraw/zinc/52/87/71/569528771.db2.gz RTGLYNJVWOHQMS-CLFYSBASSA-N 0 0 436.920 5.553 50 30 IKEARN N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000009404399 569529642 /nfs/dbraw/zinc/52/96/42/569529642.db2.gz ITHDCUAFGNNRGN-JFLMPSFJSA-N 0 0 441.265 6.475 50 30 IKEARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 ZINC000009419470 569532544 /nfs/dbraw/zinc/53/25/44/569532544.db2.gz GEWVICORMDHARV-OYKKKHCWSA-N 0 0 434.513 5.502 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4F)ccc3C1=O)cn2C ZINC000009422209 569532848 /nfs/dbraw/zinc/53/28/48/569532848.db2.gz RKOXOYIDMKXDCP-BHGWPJFGSA-N 0 0 443.430 5.161 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(C)cc4)ccc3C1=O)cn2C ZINC000009422914 569532870 /nfs/dbraw/zinc/53/28/70/569532870.db2.gz DMUGLWRDOVUJHV-RPPGKUMJSA-N 0 0 425.484 5.691 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 ZINC000009422526 569532883 /nfs/dbraw/zinc/53/28/83/569532883.db2.gz UVVLMKNFVIUWKH-UHFFFAOYSA-N 0 0 434.870 6.593 50 30 IKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC/C=C/c3ccccc3)n2)cc1 ZINC000009422775 569532898 /nfs/dbraw/zinc/53/28/98/569532898.db2.gz PGJMISBOGDTTCK-VMPITWQZSA-N 0 0 426.463 6.453 50 30 IKEARN CC(C)(C)[C@H]1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(C(F)(F)F)c2C1 ZINC000009423049 569532973 /nfs/dbraw/zinc/53/29/73/569532973.db2.gz XAFSHQILHXJWIC-AWEZNQCLSA-N 0 0 438.946 7.069 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(F)cc4)ccc3C1=O)cn2C ZINC000009423673 569533015 /nfs/dbraw/zinc/53/30/15/569533015.db2.gz PUTWBNPATFHEOE-OPEKNORGSA-N 0 0 429.447 5.521 50 30 IKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009424262 569533108 /nfs/dbraw/zinc/53/31/08/569533108.db2.gz UUMOJUBWCNJEIZ-FPTDNZKUSA-N 0 0 449.890 5.035 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc2ccccc2oc1=O ZINC000390834838 569533609 /nfs/dbraw/zinc/53/36/09/569533609.db2.gz GKWUTTDDNKWAOM-NTCAYCPXSA-N 0 0 436.442 5.681 50 30 IKEARN C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1 ZINC000009433151 569534522 /nfs/dbraw/zinc/53/45/22/569534522.db2.gz SNTCFGIOXNQWRE-JWQCQUIFSA-N 0 0 444.600 5.904 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1 ZINC000009434511 569534698 /nfs/dbraw/zinc/53/46/98/569534698.db2.gz ORBYSQOCJBEZHN-NMRWETQTSA-N 0 0 446.547 6.419 50 30 IKEARN Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000009434377 569534723 /nfs/dbraw/zinc/53/47/23/569534723.db2.gz SFRLEGVFKGVQNQ-BHGWPJFGSA-N 0 0 425.257 6.161 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Br)cc1 ZINC000009445157 569535799 /nfs/dbraw/zinc/53/57/99/569535799.db2.gz OVDDNJCFQQDCSQ-RMKNXTFCSA-N 0 0 432.657 6.167 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000009461692 569537107 /nfs/dbraw/zinc/53/71/07/569537107.db2.gz XFDTZFCNPVJKED-FPOGMNQUSA-N 0 0 429.589 6.091 50 30 IKEARN Cc1ccc(-c2c3c4c(sc3nc3c2C[C@@](C#N)(c2ccccc2)CC3)CCCC4)cc1 ZINC000009512368 569542904 /nfs/dbraw/zinc/54/29/04/569542904.db2.gz HKDACAUNLZMPAN-LJAQVGFWSA-N 0 0 434.608 7.101 50 30 IKEARN N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000009515459 569543315 /nfs/dbraw/zinc/54/33/15/569543315.db2.gz CURZBKKYQGILDL-UHFFFAOYSA-N 0 0 434.564 6.694 50 30 IKEARN C=CCn1c2ccccc2nc1SCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009516958 569543593 /nfs/dbraw/zinc/54/35/93/569543593.db2.gz VFVHUAXCMVTKCO-UHFFFAOYSA-N 0 0 448.617 5.330 50 30 IKEARN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1 ZINC000009530477 569545028 /nfs/dbraw/zinc/54/50/28/569545028.db2.gz LMNUULUBHCFVST-RMORIDSASA-N 0 0 434.875 5.710 50 30 IKEARN O=C1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O/C1=C\c1ccc2c(c1)OCO2 ZINC000009547441 569546387 /nfs/dbraw/zinc/54/63/87/569546387.db2.gz ZLPCXTIJYXFCFW-AFPJDJCSSA-N 0 0 441.266 5.917 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)C1CCCCC1 ZINC000009547248 569546402 /nfs/dbraw/zinc/54/64/02/569546402.db2.gz YUGSYQBJGVHXKA-FBHDLOMBSA-N 0 0 440.879 5.308 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3F)sc2C1 ZINC000009553778 569546708 /nfs/dbraw/zinc/54/67/08/569546708.db2.gz YTFOFHPHFLKROS-ZDUSSCGKSA-N 0 0 429.586 5.427 50 30 IKEARN CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000009553800 569546745 /nfs/dbraw/zinc/54/67/45/569546745.db2.gz DLXSERYFGGKXCL-RUZDIDTESA-N 0 0 426.472 5.037 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccccc2F)nc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000009556366 569546765 /nfs/dbraw/zinc/54/67/65/569546765.db2.gz HQVXTOSIPJLNIP-UHFFFAOYSA-N 0 0 449.404 5.648 50 30 IKEARN C=CCNC(=S)N/N=C/c1cn(CCOc2ccc([C@@H](C)CC)cc2)c2ccccc12 ZINC000009554190 569546769 /nfs/dbraw/zinc/54/67/69/569546769.db2.gz WLBZRGFXYGYMOQ-VEMGOHLESA-N 0 0 434.609 5.218 50 30 IKEARN COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1O ZINC000009554139 569546782 /nfs/dbraw/zinc/54/67/82/569546782.db2.gz SAVWUDZQPJJYQN-AREMUKBSSA-N 0 0 440.499 5.222 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009575282 569547950 /nfs/dbraw/zinc/54/79/50/569547950.db2.gz SCVOZDPFOPEBOP-LRTDBIEQSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1csc([C@H](C#N)C(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)n1 ZINC000009586622 569549747 /nfs/dbraw/zinc/54/97/47/569549747.db2.gz CSMWJVWQNCSCSY-HXUWFJFHSA-N 0 0 444.585 5.581 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1cccs1 ZINC000009597330 569550875 /nfs/dbraw/zinc/55/08/75/569550875.db2.gz HMCRSQOPSUURSL-IBGZPJMESA-N 0 0 449.601 5.324 50 30 IKEARN CN(C)c1ccc([C@@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009597278 569550887 /nfs/dbraw/zinc/55/08/87/569550887.db2.gz ZOAZGYVZTCJMFM-NRFANRHFSA-N 0 0 446.982 5.997 50 30 IKEARN CN(C)c1ccc([C@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009599401 569551246 /nfs/dbraw/zinc/55/12/46/569551246.db2.gz ZOAZGYVZTCJMFM-OAQYLSRUSA-N 0 0 446.982 5.997 50 30 IKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000009601019 569551522 /nfs/dbraw/zinc/55/15/22/569551522.db2.gz RKVRSJGSJWAWLW-YKGWIAGDSA-N 0 0 431.535 6.916 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000009601021 569551531 /nfs/dbraw/zinc/55/15/31/569551531.db2.gz YDSDGVVXZWVWDR-DFXYEROKSA-N 0 0 445.518 6.636 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12 ZINC000009635964 569554714 /nfs/dbraw/zinc/55/47/14/569554714.db2.gz WYQVEHPWYJMRAB-DEOSSOPVSA-N 0 0 432.361 6.912 50 30 IKEARN CCn1c2ccccc2nc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1cccs1 ZINC000009641307 569555652 /nfs/dbraw/zinc/55/56/52/569555652.db2.gz RHDWJWQYVVJPHU-UHFFFAOYSA-N 0 0 449.605 5.187 50 30 IKEARN C=CCn1c(SCCC(C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000009646151 569556273 /nfs/dbraw/zinc/55/62/73/569556273.db2.gz YHYPKZOAYDNWNL-UHFFFAOYSA-N 0 0 428.561 5.726 50 30 IKEARN CN(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1Cl ZINC000009671359 569558583 /nfs/dbraw/zinc/55/85/83/569558583.db2.gz MLFUAZVAMCTZFI-NRFANRHFSA-N 0 0 435.980 5.396 50 30 IKEARN C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccccc1OC ZINC000009671918 569558698 /nfs/dbraw/zinc/55/86/98/569558698.db2.gz IMYSJSACQXUKQX-UHFFFAOYSA-N 0 0 436.968 5.942 50 30 IKEARN CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccnc2)cc1 ZINC000009680375 569560064 /nfs/dbraw/zinc/56/00/64/569560064.db2.gz FKPXUMGIBDGNSO-WPWMEQJKSA-N 0 0 442.592 5.361 50 30 IKEARN C=CCN(C(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)c1ccccc1 ZINC000009682092 569560284 /nfs/dbraw/zinc/56/02/84/569560284.db2.gz CMMVBGLLIBVDBI-UHFFFAOYSA-N 0 0 448.526 5.019 50 30 IKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(CCCCC)c(=O)c2ccccc21 ZINC000009712082 569562143 /nfs/dbraw/zinc/56/21/43/569562143.db2.gz DGBXNZWRXKNWKU-UHFFFAOYSA-N 0 0 429.973 5.130 50 30 IKEARN O=C(Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1)c1ccccc1F ZINC000009720496 569563250 /nfs/dbraw/zinc/56/32/50/569563250.db2.gz CHRDVBASQGFNNZ-UHFFFAOYSA-N 0 0 432.447 5.173 50 30 IKEARN CCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21 ZINC000009731834 569564727 /nfs/dbraw/zinc/56/47/27/569564727.db2.gz KVOXDXHSFITRLK-JOCHJYFZSA-N 0 0 448.954 5.655 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 ZINC000009775613 569567000 /nfs/dbraw/zinc/56/70/00/569567000.db2.gz XMJOAAFGWLHBKX-UHFFFAOYSA-N 0 0 449.591 6.777 50 30 IKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000009805702 569568790 /nfs/dbraw/zinc/56/87/90/569568790.db2.gz NUHHEQKZWASZIM-UHFFFAOYSA-N 0 0 431.315 5.094 50 30 IKEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CSc2nc3ccccc3s2)c1C#N ZINC000009833377 569570365 /nfs/dbraw/zinc/57/03/65/569570365.db2.gz VIAIOQHNBPAUQD-UHFFFAOYSA-N 0 0 438.603 5.427 50 30 IKEARN N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1 ZINC000009845969 569570928 /nfs/dbraw/zinc/57/09/28/569570928.db2.gz NAUKMNVUBKJARB-GRSHGNNSSA-N 0 0 438.270 5.218 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c1 ZINC000009845857 569570957 /nfs/dbraw/zinc/57/09/57/569570957.db2.gz IUIVQQLUBNBMEZ-ODLFYWEKSA-N 0 0 443.355 6.762 50 30 IKEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(Cl)cc3)nn21 ZINC000009856505 569571636 /nfs/dbraw/zinc/57/16/36/569571636.db2.gz SNJYYDUWHAAXGY-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccc2c(c1)s/c(=N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)n2Cc1ccccc1 ZINC000009891849 569572917 /nfs/dbraw/zinc/57/29/17/569572917.db2.gz SKSXLTPGUGZARV-SPKSAGFJSA-N 0 0 436.924 5.556 50 30 IKEARN COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)c1OCc1ccccc1 ZINC000009907467 569573121 /nfs/dbraw/zinc/57/31/21/569573121.db2.gz SWHRBJUDJHHYGW-HZHRSRAPSA-N 0 0 444.556 5.783 50 30 IKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)CCC3)cc1 ZINC000009907651 569573149 /nfs/dbraw/zinc/57/31/49/569573149.db2.gz KUZGLUDFUVUONE-CVKSISIWSA-N 0 0 448.544 5.425 50 30 IKEARN CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CC[C@@H](C)C3)cc1 ZINC000009907619 569573153 /nfs/dbraw/zinc/57/31/53/569573153.db2.gz FCEQIHZOIAIOKH-WJGWSCHNSA-N 0 0 436.552 6.414 50 30 IKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1 ZINC000009907650 569573187 /nfs/dbraw/zinc/57/31/87/569573187.db2.gz WIBCONRPMIDGLS-AFUMVMLFSA-N 0 0 436.533 5.266 50 30 IKEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000009913264 569573317 /nfs/dbraw/zinc/57/33/17/569573317.db2.gz AOFWDFGORXNBEP-UHFFFAOYSA-N 0 0 444.969 5.152 50 30 IKEARN C=CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000009952127 569574540 /nfs/dbraw/zinc/57/45/40/569574540.db2.gz NGHSVYGPDVNHKI-INIZCTEOSA-N 0 0 449.605 5.053 50 30 IKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1Cl ZINC000009969590 569576072 /nfs/dbraw/zinc/57/60/72/569576072.db2.gz VNIBCCUKEMSFMR-NRFANRHFSA-N 0 0 437.879 5.110 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1C ZINC000009993937 569576939 /nfs/dbraw/zinc/57/69/39/569576939.db2.gz YNFGFEREQHVTNG-DEOSSOPVSA-N 0 0 442.515 5.270 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(-c3cccs3)o2)c1C#N ZINC000009994313 569576943 /nfs/dbraw/zinc/57/69/43/569576943.db2.gz IRIBAKMAWYQIKP-UHFFFAOYSA-N 0 0 441.582 5.324 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009993295 569576946 /nfs/dbraw/zinc/57/69/46/569576946.db2.gz LXZOJAMPWCKESK-NRFANRHFSA-N 0 0 426.497 5.388 50 30 IKEARN C=CCn1c(SCc2ccc(OC(C)C)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000009993244 569576955 /nfs/dbraw/zinc/57/69/55/569576955.db2.gz KRMDQFQNFORMDD-UHFFFAOYSA-N 0 0 426.607 5.602 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCSCc1ccccc1 ZINC000009993115 569576958 /nfs/dbraw/zinc/57/69/58/569576958.db2.gz CEZGJJRVSPAFSA-UHFFFAOYSA-N 0 0 444.650 7.374 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009993936 569576965 /nfs/dbraw/zinc/57/69/65/569576965.db2.gz YNFGFEREQHVTNG-XMMPIXPASA-N 0 0 442.515 5.270 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013593 569577130 /nfs/dbraw/zinc/57/71/30/569577130.db2.gz PTAKFIBNXVUHNL-QHCPKHFHSA-N 0 0 436.502 5.516 50 30 IKEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1cccc2ccccc21 ZINC000010034812 569577404 /nfs/dbraw/zinc/57/74/04/569577404.db2.gz IGTBQACHZWRRFS-UHFFFAOYSA-N 0 0 444.491 5.127 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000005910252 569582739 /nfs/dbraw/zinc/58/27/39/569582739.db2.gz SCDDXVCBCXWFRH-LSHDLFTRSA-N 0 0 441.181 6.716 50 30 IKEARN Cc1cc(C)cc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1 ZINC000001864440 569583232 /nfs/dbraw/zinc/58/32/32/569583232.db2.gz OXMWSMJJKUYWTA-JVWAILMASA-N 0 0 440.572 6.393 50 30 IKEARN O=[N+]([O-])c1ccc(-c2csc(N=NC(c3ccccc3)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000033789106 569584185 /nfs/dbraw/zinc/58/41/85/569584185.db2.gz IGZKDHMQLRZTBP-DARPEHSRSA-N 0 0 445.460 5.491 50 30 IKEARN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 ZINC000009045037 569584203 /nfs/dbraw/zinc/58/42/03/569584203.db2.gz DULLNSPGQIVGSQ-OEAKJJBVSA-N 0 0 432.530 6.316 50 30 IKEARN COc1ccc(-c2csc(N=NC3C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 ZINC000009360649 569584424 /nfs/dbraw/zinc/58/44/24/569584424.db2.gz YVCXIROPPVUFHA-RMNOPMHCSA-N 0 0 441.556 6.467 50 30 IKEARN Cc1ccc(S(=O)(=O)N/N=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000019898272 569587014 /nfs/dbraw/zinc/58/70/14/569587014.db2.gz VTIQQOLCKYSKJA-SGWCAAJKSA-N 0 0 440.568 5.294 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000012868537 290671208 /nfs/dbraw/zinc/67/12/08/290671208.db2.gz FVWJYYTZTCVBKE-KIBNYLIHSA-N 0 0 442.728 6.997 50 30 biogenic IKEARN O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 ZINC000002932671 120720424 /nfs/dbraw/zinc/72/04/24/120720424.db2.gz GPOYDCYYMULJQP-JWLCOBFGSA-N 0 0 428.513 5.088 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/CCc1ccccc1 ZINC000102148906 123570599 /nfs/dbraw/zinc/57/05/99/123570599.db2.gz LOKJFMSLYCLMKH-MWWVQSJNSA-N 0 0 444.025 5.635 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2 ZINC000000631002 193863775 /nfs/dbraw/zinc/86/37/75/193863775.db2.gz GVFVTHRQZMBLLI-YHAMSUFESA-N 0 0 444.918 6.048 50 30 IKEARN CCc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000644452 193869179 /nfs/dbraw/zinc/86/91/79/193869179.db2.gz BUXWVXDQDRUQDO-UHFFFAOYSA-N 0 0 430.899 5.100 50 30 IKEARN CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 ZINC000006134253 193880209 /nfs/dbraw/zinc/88/02/09/193880209.db2.gz DFEWYCALQZWBOO-UHFFFAOYSA-N 0 0 431.439 5.255 50 30 IKEARN CCCc1cc(N2CCN(c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000001245190 132240712 /nfs/dbraw/zinc/24/07/12/132240712.db2.gz CHGDGCDVHTUJOP-UHFFFAOYSA-N 0 0 429.955 5.292 50 30 IKEARN N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCN(c2ccccc2)CC1 ZINC000002417181 132254180 /nfs/dbraw/zinc/25/41/80/132254180.db2.gz RSKNVQILRUYKAX-UHFFFAOYSA-N 0 0 436.515 5.119 50 30 IKEARN N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccccc31)CCCC2 ZINC000009861288 132330360 /nfs/dbraw/zinc/33/03/60/132330360.db2.gz JDOUAKITVJDQPW-UHFFFAOYSA-N 0 0 429.570 5.754 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@H]2c1ccc(F)cc1 ZINC000016578009 517502488 /nfs/dbraw/zinc/50/24/88/517502488.db2.gz KVMFIBFCXDEJNW-IBGZPJMESA-N 0 0 446.547 5.901 50 30 IKEARN Brc1ccc(-c2n[nH]cc2C=NN=C(c2ccccc2)c2ccccc2)cc1 ZINC000013322088 518208516 /nfs/dbraw/zinc/20/85/16/518208516.db2.gz ZGUXTYNSUSPKFT-MFKUBSTISA-N 0 0 429.321 5.711 50 30 IKEARN C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000013939702 518265029 /nfs/dbraw/zinc/26/50/29/518265029.db2.gz ZFBOJNLGBOGCPG-WQRHYEAKSA-N 0 0 448.327 5.251 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000015009900 518316593 /nfs/dbraw/zinc/31/65/93/518316593.db2.gz JJQAUXLZLBFMNO-WQRHYEAKSA-N 0 0 448.327 5.251 50 30 IKEARN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000002164783 518318131 /nfs/dbraw/zinc/31/81/31/518318131.db2.gz RNZFBYOSZMLDMB-CXUHLZMHSA-N 0 0 438.719 5.900 50 30 IKEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC ZINC000021157852 518325177 /nfs/dbraw/zinc/32/51/77/518325177.db2.gz UTCNMEYWJZABDN-SFHVURJKSA-N 0 0 437.948 5.953 50 30 IKEARN C#CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000003000036 518325237 /nfs/dbraw/zinc/32/52/37/518325237.db2.gz DCFTYIGRTLMJLM-UHFFFAOYSA-N 0 0 438.951 5.752 50 30 IKEARN C#CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000019972675 518326778 /nfs/dbraw/zinc/32/67/78/518326778.db2.gz BUCJXZXPOCZEOR-UHFFFAOYSA-N 0 0 437.967 5.325 50 30 IKEARN C(=C/c1ccccc1)\C=N\c1ccc(Cc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 ZINC000013464376 518371635 /nfs/dbraw/zinc/37/16/35/518371635.db2.gz VEPYLJPVFMGBKU-GVRZZCCUSA-N 0 0 426.563 8.109 50 30 IKEARN C/C(=N/OCc1cccc(C#N)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C ZINC000035843461 518457388 /nfs/dbraw/zinc/45/73/88/518457388.db2.gz LVRLFUCMBKIRTN-GTWSWNCMSA-N 0 0 437.518 6.713 50 30 IKEARN C/C(=N/OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C ZINC000035843425 518457645 /nfs/dbraw/zinc/45/76/45/518457645.db2.gz ZFSFIYGJCCUBSE-LQNQUEJISA-N 0 0 434.461 6.811 50 30 IKEARN C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C ZINC000035843428 518457843 /nfs/dbraw/zinc/45/78/43/518457843.db2.gz SOFNZQMCDJROMW-FSGOGVSDSA-N 0 0 430.498 6.980 50 30 IKEARN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(C#CCC2CCCCC2)s1 ZINC000012367344 518463703 /nfs/dbraw/zinc/46/37/03/518463703.db2.gz WHZRQLLMOOXSPO-AFUMVMLFSA-N 0 0 439.839 7.866 50 30 IKEARN CC(=NNc1cc(Cl)ccc1Cl)c1csc(COc2ccc(Cl)cc2)n1 ZINC000012369735 518464678 /nfs/dbraw/zinc/46/46/78/518464678.db2.gz VLKWPJBENPPBFJ-FOKLQQMPSA-N 0 0 426.756 6.518 50 30 IKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000009034254 518466217 /nfs/dbraw/zinc/46/62/17/518466217.db2.gz UOXIRNHFYZRJQK-XODNFHPESA-N 0 0 441.749 7.093 50 30 IKEARN C/C(=N\OCc1cccc(C(=O)N=[S@@](C)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000013466386 518471671 /nfs/dbraw/zinc/47/16/71/518471671.db2.gz JTBBXGSNDACVEM-WMNBSXSMSA-N 0 0 440.952 5.578 50 30 IKEARN CC(=O)c1sc(SCCS(=O)(=O)c2ccccc2)c(C#N)c1-c1ccccc1 ZINC000036048367 518497935 /nfs/dbraw/zinc/49/79/35/518497935.db2.gz VOLSVRVHMNWJIB-UHFFFAOYSA-N 0 0 427.572 5.055 50 30 IKEARN CC(C)(C)C(=O)[C@H]1[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000035366029 518594445 /nfs/dbraw/zinc/59/44/45/518594445.db2.gz SDLIEYULIJAVBE-NXCFDTQHSA-N 0 0 431.539 5.982 50 30 IKEARN C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(C)c3C)c2c1 ZINC000028182406 518616607 /nfs/dbraw/zinc/61/66/07/518616607.db2.gz SLRYTANBOJPMOU-UHFFFAOYSA-N 0 0 441.527 6.932 50 30 IKEARN C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O ZINC000218112360 518622721 /nfs/dbraw/zinc/62/27/21/518622721.db2.gz OITGNENIPHFEMQ-BRTCBXNNSA-N 0 0 439.467 5.094 50 30 biogenic IKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@](C)(CC)OC3 ZINC000002305116 518625170 /nfs/dbraw/zinc/62/51/70/518625170.db2.gz RJTBMKBGGHPUKJ-HSZRJFAPSA-N 0 0 426.607 5.665 50 30 IKEARN C=C(C)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCCC5 ZINC000009144461 518627382 /nfs/dbraw/zinc/62/73/82/518627382.db2.gz XJYURXVELFBCFW-UHFFFAOYSA-N 0 0 443.601 6.101 50 30 IKEARN C=C(C)Cn1c(C(=O)NCCc2ccccc2OC)cc2sc(Br)cc21 ZINC000037543284 518639024 /nfs/dbraw/zinc/63/90/24/518639024.db2.gz LWWUQRMFSGLZIB-UHFFFAOYSA-N 0 0 433.371 5.023 50 30 IKEARN C=C(C)Cn1c(SCc2ccccc2)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000002070752 518639907 /nfs/dbraw/zinc/63/99/07/518639907.db2.gz HZTUFGJOZBJJAR-UHFFFAOYSA-N 0 0 439.005 6.647 50 30 IKEARN C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002354466 518641147 /nfs/dbraw/zinc/64/11/47/518641147.db2.gz AWIDPXAFLPRJBP-UHFFFAOYSA-N 0 0 438.662 6.862 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253498702 518645392 /nfs/dbraw/zinc/64/53/92/518645392.db2.gz MQYXUWHLBZFQQO-FTPWLFHRSA-N 0 0 426.729 8.025 50 30 biogenic,in-vitro IKEARN C=CC=C(SC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000033462682 518655469 /nfs/dbraw/zinc/65/54/69/518655469.db2.gz DIAHCWJBJROACT-RQZCQDPDSA-N 0 0 428.604 5.158 50 30 IKEARN C=C1[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000013304911 518668687 /nfs/dbraw/zinc/66/86/87/518668687.db2.gz RVFAOPJSTKZSIX-IYBDPMFKSA-N 0 0 430.118 5.680 50 30 IKEARN C=CCCC(O)(CCC=C)c1ccc(CN(CCOC)Cc2ccc(OC)c(OC)c2)o1 ZINC000036156197 518696791 /nfs/dbraw/zinc/69/67/91/518696791.db2.gz BTHMLMVLZCZLPH-UHFFFAOYSA-N 0 0 443.584 5.065 50 30 IKEARN C=CCN(C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21)c1ccccc1 ZINC000012564296 518737428 /nfs/dbraw/zinc/73/74/28/518737428.db2.gz GXLLVSYIGCWICX-UHFFFAOYSA-N 0 0 443.344 6.497 50 30 IKEARN C=CCN(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000002187628 518739510 /nfs/dbraw/zinc/73/95/10/518739510.db2.gz GYEQHYOKYJAKJX-UHFFFAOYSA-N 0 0 441.534 6.797 50 30 IKEARN C=CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1nc2c(s1)CCCC2 ZINC000015969126 518741168 /nfs/dbraw/zinc/74/11/68/518741168.db2.gz MGCHOMWXZVMHRQ-UHFFFAOYSA-N 0 0 437.179 5.863 50 30 IKEARN C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)S(=O)(=O)c1cccc(Cl)c1 ZINC000012860112 518756098 /nfs/dbraw/zinc/75/60/98/518756098.db2.gz GCPKKJJCRNCAHT-UHFFFAOYSA-N 0 0 449.016 5.402 50 30 IKEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1C ZINC000004145675 518765049 /nfs/dbraw/zinc/76/50/49/518765049.db2.gz DRXHMOFNYGQIDQ-UHFFFAOYSA-N 0 0 438.984 5.189 50 30 IKEARN C=CCN(CC=C)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000002626657 518772279 /nfs/dbraw/zinc/77/22/79/518772279.db2.gz CJMKKIUBHGJSIO-UHFFFAOYSA-N 0 0 428.026 6.304 50 30 IKEARN C=CCN(Cc1ccc(Br)s1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000013149351 518775776 /nfs/dbraw/zinc/77/57/76/518775776.db2.gz ZECNYXLRWOZIKQ-UHFFFAOYSA-N 0 0 442.407 6.375 50 30 IKEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115362 518796872 /nfs/dbraw/zinc/79/68/72/518796872.db2.gz OJBGOHQTYDYZMM-UHFFFAOYSA-N 0 0 442.606 5.024 50 30 IKEARN C=CCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036106820 518796887 /nfs/dbraw/zinc/79/68/87/518796887.db2.gz CGKZQZZCJJIKRF-UHFFFAOYSA-N 0 0 428.941 5.213 50 30 IKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000003025183 518816797 /nfs/dbraw/zinc/81/67/97/518816797.db2.gz MUOZUFXPAXASME-UHFFFAOYSA-N 0 0 444.915 5.113 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S ZINC000013602801 518826919 /nfs/dbraw/zinc/82/69/19/518826919.db2.gz CKWHIXFPAVHHHX-MOSHPQCFSA-N 0 0 445.993 5.705 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC1=S ZINC000002978300 518828214 /nfs/dbraw/zinc/82/82/14/518828214.db2.gz NNGUSNTXYXBREH-RGEXLXHISA-N 0 0 431.966 5.185 50 30 IKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc([N+](=O)[O-])cc1 ZINC000100505595 518830342 /nfs/dbraw/zinc/83/03/42/518830342.db2.gz HPFLMCQXCXPFDO-YALZWYRPSA-N 0 0 438.534 5.145 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(Cl)ccc1C ZINC000017242351 518846128 /nfs/dbraw/zinc/84/61/28/518846128.db2.gz SMPFGNYZGGTKIK-UOODYVSWSA-N 0 0 441.984 5.412 50 30 IKEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc([C@@H](C)CC)cc2)CC1=O ZINC000004910496 518871715 /nfs/dbraw/zinc/87/17/15/518871715.db2.gz JFCBJJQXBQGVQF-RBBKRZOGSA-N 0 0 431.580 5.521 50 30 IKEARN C=CCN1c2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccccc2C1=O ZINC000003040716 518874368 /nfs/dbraw/zinc/87/43/68/518874368.db2.gz CTEKTWQKNALCTE-UHFFFAOYSA-N 0 0 434.948 5.567 50 30 IKEARN C=CCN1c2ccccc2[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O ZINC000012379079 518879193 /nfs/dbraw/zinc/87/91/93/518879193.db2.gz XBTHNDWNMHJLBQ-ZEQKJWHPSA-N 0 0 441.918 5.269 50 30 IKEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1 ZINC000037558750 518903414 /nfs/dbraw/zinc/90/34/14/518903414.db2.gz YMEPHFAFZSSBDQ-UHFFFAOYSA-N 0 0 441.575 5.065 50 30 IKEARN C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2cccc(C)c2)c1 ZINC000037600367 518903494 /nfs/dbraw/zinc/90/34/94/518903494.db2.gz XACJQBQRTRTHQU-UHFFFAOYSA-N 0 0 431.511 5.218 50 30 IKEARN C=CCNC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1 ZINC000015855599 518913465 /nfs/dbraw/zinc/91/34/65/518913465.db2.gz BIPIQBZJHZFACR-IBOXJLQUSA-N 0 0 432.545 5.021 50 30 IKEARN C=CCNC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 ZINC000002107174 518932862 /nfs/dbraw/zinc/93/28/62/518932862.db2.gz VRESCIRIFUWSIS-UHFFFAOYSA-N 0 0 445.009 5.972 50 30 IKEARN C=CCNC(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000023432381 518945399 /nfs/dbraw/zinc/94/53/99/518945399.db2.gz XPRJWMZAXXJQRR-UHFFFAOYSA-N 0 0 439.359 5.493 50 30 IKEARN C=CCNc1nc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c4c3[nH]c(=O)c2s1 ZINC000036612857 518964984 /nfs/dbraw/zinc/96/49/84/518964984.db2.gz GSJVDYBDYATTQB-UHFFFAOYSA-N 0 0 448.451 5.624 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@H]1c1ccccc1Cl ZINC000037280146 518968818 /nfs/dbraw/zinc/96/88/18/518968818.db2.gz FBUOQGQIWDTCNA-KRWDZBQOSA-N 0 0 431.866 5.138 50 30 IKEARN C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@H]1c1ccc(F)cc1F ZINC000037577374 518969340 /nfs/dbraw/zinc/96/93/40/518969340.db2.gz BVZHUFBFXXQNAO-IBGZPJMESA-N 0 0 431.866 5.138 50 30 IKEARN C=CCOC(=O)C1C(C)=Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(CC)cc1 ZINC000013129738 518972551 /nfs/dbraw/zinc/97/25/51/518972551.db2.gz HVKKWIJYLWSTAL-NRFANRHFSA-N 0 0 434.927 5.179 50 30 IKEARN CC(C)(C)c1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccco2)cc(C(C)(C)C)c1O ZINC000001821401 518989858 /nfs/dbraw/zinc/98/98/58/518989858.db2.gz TWVVUQVGSADJIQ-LQKURTRISA-N 0 0 443.547 5.839 50 30 IKEARN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000022135312 519001654 /nfs/dbraw/zinc/00/16/54/519001654.db2.gz PIXIVVCSXXSSGG-HXUWFJFHSA-N 0 0 436.895 5.408 50 30 IKEARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@]1(C=C(C(C)(C)C)C(=O)C(=O)C1C(C)(C)C)O2 ZINC000013510938 519006074 /nfs/dbraw/zinc/00/60/74/519006074.db2.gz DCQDNCVZSDHESB-NDEPHWFRSA-N 0 0 440.624 7.163 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1 ZINC000239331210 519028892 /nfs/dbraw/zinc/02/88/92/519028892.db2.gz KHMPSGMVRIWTHT-ZCYQVOJMSA-N 0 0 427.460 5.402 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000012194212 519029628 /nfs/dbraw/zinc/02/96/28/519029628.db2.gz GWNCCVGLRPMTRM-IAPPQJPRSA-N 0 0 440.543 6.281 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000013551369 519029647 /nfs/dbraw/zinc/02/96/47/519029647.db2.gz WPFQZLCDZWOGCW-RSXGOPAZSA-N 0 0 430.935 6.456 50 30 IKEARN CC(C)(C)c1ccc(OCc2ccc(C(=O)OCC(=O)NC3(C#N)CCCCC3)cc2)cc1 ZINC000015187539 519042724 /nfs/dbraw/zinc/04/27/24/519042724.db2.gz INQIPCWEVPJOLE-UHFFFAOYSA-N 0 0 448.563 5.063 50 30 IKEARN C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000036352130 519045421 /nfs/dbraw/zinc/04/54/21/519045421.db2.gz SDKUGTDDYYBFSW-RSXGOPAZSA-N 0 0 446.934 6.156 50 30 IKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1 ZINC000008869654 519045833 /nfs/dbraw/zinc/04/58/33/519045833.db2.gz XMADWHRVMGSSLZ-RUZDIDTESA-N 0 0 437.495 5.724 50 30 IKEARN C=CCOc1cccc2c1cc(C(=O)NCc1ccccc1)n2Cc1c(F)cccc1F ZINC000035927852 519064557 /nfs/dbraw/zinc/06/45/57/519064557.db2.gz AQOHEEKHAAAELH-UHFFFAOYSA-N 0 0 432.470 5.463 50 30 IKEARN C=CCSc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000012402396 519085169 /nfs/dbraw/zinc/08/51/69/519085169.db2.gz UFQDBJPXIVEBOS-CYBMUJFWSA-N 0 0 431.608 5.041 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226589 519093072 /nfs/dbraw/zinc/09/30/72/519093072.db2.gz FFPWFNSTHNZZLR-UGTJMOTHSA-N 0 0 448.636 6.356 50 30 biogenic IKEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1 ZINC000012710377 519107249 /nfs/dbraw/zinc/10/72/49/519107249.db2.gz NURXVXDTTCQEIK-YLJYHZDGSA-N 0 0 432.520 5.171 50 30 IKEARN C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000013552747 519148988 /nfs/dbraw/zinc/14/89/88/519148988.db2.gz AIYBPXZYLSVSQS-UHFFFAOYSA-N 0 0 435.336 5.796 50 30 IKEARN C=CCn1c(=O)c2ccccc2nc1SCc1csc(-c2ccccc2Cl)n1 ZINC000013148690 519161413 /nfs/dbraw/zinc/16/14/13/519161413.db2.gz ZIWVAYRKSZOYCB-UHFFFAOYSA-N 0 0 425.966 5.652 50 30 IKEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1Cl ZINC000012322693 519167193 /nfs/dbraw/zinc/16/71/93/519167193.db2.gz AHJUJLIHRXDCAI-UHFFFAOYSA-N 0 0 428.941 5.029 50 30 IKEARN C=CCn1c(CN(C)Cc2cccc3cccnc32)nnc1SCc1cccc(F)c1 ZINC000055226280 519179710 /nfs/dbraw/zinc/17/97/10/519179710.db2.gz NQGZPFWWEAXJGK-UHFFFAOYSA-N 0 0 433.556 5.076 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000002364466 519185070 /nfs/dbraw/zinc/18/50/70/519185070.db2.gz MXCRNIMUHDMPFY-UHFFFAOYSA-N 0 0 442.972 5.044 50 30 IKEARN C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000013120698 519186782 /nfs/dbraw/zinc/18/67/82/519186782.db2.gz IVJIROOSUJJIMZ-KRWDZBQOSA-N 0 0 425.529 5.163 50 30 IKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C ZINC000009307203 519189350 /nfs/dbraw/zinc/18/93/50/519189350.db2.gz PZRUPKRDKWWPEI-UHFFFAOYSA-N 0 0 436.581 5.071 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000012788167 519190845 /nfs/dbraw/zinc/19/08/45/519190845.db2.gz ISWMPWWSGMYECP-AWEZNQCLSA-N 0 0 431.920 5.199 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013805797 519210660 /nfs/dbraw/zinc/21/06/60/519210660.db2.gz LNVXFKSXLVUJFA-UHFFFAOYSA-N 0 0 448.636 6.085 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1Cl ZINC000001440306 519211546 /nfs/dbraw/zinc/21/15/46/519211546.db2.gz QHMFYWIYOIEYAZ-UHFFFAOYSA-N 0 0 426.973 5.441 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 ZINC000002328679 519212529 /nfs/dbraw/zinc/21/25/29/519212529.db2.gz FKJHNUKHZBYAHH-UHFFFAOYSA-N 0 0 437.327 5.308 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1OC ZINC000002454430 519212778 /nfs/dbraw/zinc/21/27/78/519212778.db2.gz CVQJHZJBNGFBEM-UHFFFAOYSA-N 0 0 449.363 5.177 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2cc(-c3ccccc3)sc2c1=O ZINC000013353308 519215253 /nfs/dbraw/zinc/21/52/53/519215253.db2.gz CTHWQOSZGQYHAF-UHFFFAOYSA-N 0 0 447.585 5.350 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1csc(C)c1CC ZINC000017095093 519216289 /nfs/dbraw/zinc/21/62/89/519216289.db2.gz YZIANRDBTRXJDN-UHFFFAOYSA-N 0 0 426.611 5.357 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CCCCC1 ZINC000003343744 519218559 /nfs/dbraw/zinc/21/85/59/519218559.db2.gz BJHQLNUYSPAKEV-UHFFFAOYSA-N 0 0 448.592 6.035 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccc(OC)cc1 ZINC000009500130 519218775 /nfs/dbraw/zinc/21/87/75/519218775.db2.gz GCLOHTQTTGDKKA-KRWDZBQOSA-N 0 0 436.581 5.384 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(C)c(Cl)c1 ZINC000010059446 519221190 /nfs/dbraw/zinc/22/11/90/519221190.db2.gz VKCMTLYZXSJEPJ-UHFFFAOYSA-N 0 0 440.956 5.026 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1OC ZINC000002354694 519221732 /nfs/dbraw/zinc/22/17/32/519221732.db2.gz SJWUDQHFWCZAAV-UHFFFAOYSA-N 0 0 430.533 5.024 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(C)c(C)c2c1=O ZINC000013688572 519229960 /nfs/dbraw/zinc/22/99/60/519229960.db2.gz JKBIFFZXIWURDV-UHFFFAOYSA-N 0 0 445.418 5.604 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1C1CCCCC1 ZINC000009478332 519230690 /nfs/dbraw/zinc/23/06/90/519230690.db2.gz AVCJDXFCTSQAOH-UHFFFAOYSA-N 0 0 441.626 5.351 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2scc(-c3ccccc3)c2c1=O ZINC000000710207 519231502 /nfs/dbraw/zinc/23/15/02/519231502.db2.gz DQHOVHDTVZGBHN-UHFFFAOYSA-N 0 0 448.569 5.295 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000000719622 519232351 /nfs/dbraw/zinc/23/23/51/519232351.db2.gz JIVNRTAKXAZOPJ-UHFFFAOYSA-N 0 0 440.521 5.327 50 30 IKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1sc2nc(C)cc(C)c2c1N ZINC000001035617 519240659 /nfs/dbraw/zinc/24/06/59/519240659.db2.gz RDORFMNVMINAMY-UHFFFAOYSA-N 0 0 425.558 5.371 50 30 IKEARN C=CCn1c(SCc2cn3cccc(C)c3n2)nc2scc(-c3ccccc3)c2c1=O ZINC000012659287 519245248 /nfs/dbraw/zinc/24/52/48/519245248.db2.gz QOUYCWWILNFISM-UHFFFAOYSA-N 0 0 444.585 5.559 50 30 IKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C ZINC000013020035 519252113 /nfs/dbraw/zinc/25/21/13/519252113.db2.gz BDNPSYOEYREVBD-ZDUSSCGKSA-N 0 0 436.459 5.171 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000012819693 519255247 /nfs/dbraw/zinc/25/52/47/519255247.db2.gz WGDMCVSGBWVNKH-MRXNPFEDSA-N 0 0 438.984 5.245 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1C1CCCCC1 ZINC000012759299 519258217 /nfs/dbraw/zinc/25/82/17/519258217.db2.gz KTNTZXFHYGTLAT-QGZVFWFLSA-N 0 0 440.613 5.614 50 30 IKEARN C=CCn1c(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)nnc1C1CCCCC1 ZINC000007734407 519259994 /nfs/dbraw/zinc/25/99/94/519259994.db2.gz SSJKZCDEZIXVFN-OAHLLOKOSA-N 0 0 425.558 5.424 50 30 IKEARN C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000003003753 519260275 /nfs/dbraw/zinc/26/02/75/519260275.db2.gz XLWNPURBOBLHTK-UHFFFAOYSA-N 0 0 440.834 5.863 50 30 IKEARN C=CCn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000011650697 519267808 /nfs/dbraw/zinc/26/78/08/519267808.db2.gz QIRLOZDGVOFQTL-IBGZPJMESA-N 0 0 448.573 5.347 50 30 IKEARN CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000012243199 519344584 /nfs/dbraw/zinc/34/45/84/519344584.db2.gz JTNZLEYBGMMMOK-NTCAYCPXSA-N 0 0 430.935 5.379 50 30 IKEARN CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)c(Cl)c2)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019943873 519366213 /nfs/dbraw/zinc/36/62/13/519366213.db2.gz FOUPCSKNFATMEY-RBUKOAKNSA-N 0 0 430.162 6.096 50 30 IKEARN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002752754 519370171 /nfs/dbraw/zinc/37/01/71/519370171.db2.gz WHMZWEKRMVITAW-OAQYLSRUSA-N 0 0 443.355 5.773 50 30 IKEARN CC(C)(c1ccccc1)c1ccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)cc1 ZINC000006213073 519383137 /nfs/dbraw/zinc/38/31/37/519383137.db2.gz VKMPUIGLVJRCNG-FDAWAROLSA-N 0 0 449.558 5.520 50 30 IKEARN CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000012856315 519406110 /nfs/dbraw/zinc/40/61/10/519406110.db2.gz BEFUWMVQNXRZDW-ACSYHNTCSA-N 0 0 438.571 7.337 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1)c1c(C)cccc1C ZINC000012810576 519473474 /nfs/dbraw/zinc/47/34/74/519473474.db2.gz SRDPRZRZEGAVGA-CSKARUKUSA-N 0 0 445.371 6.647 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1ccc(C)c(C)c1 ZINC000012985602 519473517 /nfs/dbraw/zinc/47/35/17/519473517.db2.gz QFLFNHBQXBXWIO-PKNBQFBNSA-N 0 0 444.478 6.359 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1)c1cccc(C)c1C ZINC000012986229 519474638 /nfs/dbraw/zinc/47/46/38/519474638.db2.gz YZVMJSYPKWAGOX-CSKARUKUSA-N 0 0 445.371 6.647 50 30 IKEARN CC(=O)N(c1nc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cs1)c1cccc(C)c1C ZINC000012804005 519474871 /nfs/dbraw/zinc/47/48/71/519474871.db2.gz BPIGDRHWRNNCJS-CMDGGOBGSA-N 0 0 434.517 5.112 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000009861335 519476317 /nfs/dbraw/zinc/47/63/17/519476317.db2.gz LYAHDSCFKXKAOR-JOCHJYFZSA-N 0 0 429.347 6.156 50 30 IKEARN CC(C)CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000003064376 519609666 /nfs/dbraw/zinc/60/96/66/519609666.db2.gz MPSDQRYLWWPNPP-XHPQRKPJSA-N 0 0 438.833 5.199 50 30 IKEARN CC(C)CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000016361192 519679499 /nfs/dbraw/zinc/67/94/99/519679499.db2.gz PJJAFTPIZNPITC-QGZVFWFLSA-N 0 0 429.973 5.126 50 30 IKEARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000033037208 519701641 /nfs/dbraw/zinc/70/16/41/519701641.db2.gz PFTIPUXIQAYFHP-UHFFFAOYSA-N 0 0 449.514 5.239 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253505648 519757693 /nfs/dbraw/zinc/75/76/93/519757693.db2.gz VOETZVYTDQTIBX-MUIBDYHCSA-N 0 0 446.588 5.239 50 30 biogenic IKEARN CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000013568681 519782087 /nfs/dbraw/zinc/78/20/87/519782087.db2.gz YSNMAQAFVVBILW-WXTAPIANSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000013568544 519784910 /nfs/dbraw/zinc/78/49/10/519784910.db2.gz XNPQQCZYFCCLKP-QUGAMOGWSA-N 0 0 430.573 6.515 50 30 IKEARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@@H]3CC[C@]21C ZINC000257350120 519790409 /nfs/dbraw/zinc/79/04/09/519790409.db2.gz UXGWFWJQNSRBBQ-CNNJYEDQSA-N 0 0 426.685 7.895 50 30 IKEARN CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000009805293 519839563 /nfs/dbraw/zinc/83/95/63/519839563.db2.gz ZWOYZOAVXBSZMW-IPBJYNAHSA-N 0 0 444.578 7.425 50 30 IKEARN CCC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccccc1 ZINC000020436136 519849319 /nfs/dbraw/zinc/84/93/19/519849319.db2.gz CVNSDCUVIPKMIJ-UHFFFAOYSA-N 0 0 432.408 5.817 50 30 IKEARN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl ZINC000009678670 519870694 /nfs/dbraw/zinc/87/06/94/519870694.db2.gz NAUAFWKKQMTFAE-QHCPKHFHSA-N 0 0 429.347 6.300 50 30 IKEARN CCCC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000001440053 519881496 /nfs/dbraw/zinc/88/14/96/519881496.db2.gz UEOQDOBFGOJTCW-NDEPHWFRSA-N 0 0 441.527 6.227 50 30 IKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000012652491 519883913 /nfs/dbraw/zinc/88/39/13/519883913.db2.gz RTLVASMBPGAUNB-UPCLLVRISA-N 0 0 431.492 5.366 50 30 IKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000021722888 519883954 /nfs/dbraw/zinc/88/39/54/519883954.db2.gz AIWDFLWXFYSPMZ-DEOSSOPVSA-N 0 0 433.552 5.431 50 30 IKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000012652486 519884009 /nfs/dbraw/zinc/88/40/09/519884009.db2.gz RTLVASMBPGAUNB-FYSMJZIKSA-N 0 0 431.492 5.366 50 30 IKEARN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000012652478 519884108 /nfs/dbraw/zinc/88/41/08/519884108.db2.gz RTLVASMBPGAUNB-GYCJOSAFSA-N 0 0 431.492 5.366 50 30 IKEARN CCCCC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000003064282 519916753 /nfs/dbraw/zinc/91/67/53/519916753.db2.gz SSBRTYXCNLMYHU-CLCOLTQESA-N 0 0 439.726 5.631 50 30 IKEARN CCCCCC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C ZINC000006635081 519928546 /nfs/dbraw/zinc/92/85/46/519928546.db2.gz SVGLNJIGDXUCDK-SANMLTNESA-N 0 0 433.596 5.625 50 30 IKEARN CCCCCCCC(=O)NCc1ccc(-c2nc(-c3cc(OC)ccc3OC)c[nH]2)cc1 ZINC000097940609 519963054 /nfs/dbraw/zinc/96/30/54/519963054.db2.gz NFZFQXSSSYCWNF-UHFFFAOYSA-N 0 0 435.568 5.738 50 30 IKEARN CCCCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000102996011 519971616 /nfs/dbraw/zinc/97/16/16/519971616.db2.gz UOUOFESPRJTXGB-QHCPKHFHSA-N 0 0 440.534 7.187 50 30 IKEARN CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000098021529 519973804 /nfs/dbraw/zinc/97/38/04/519973804.db2.gz CNBUYNOJKFWSOL-XMMPIXPASA-N 0 0 428.573 6.293 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1 ZINC000098021573 519977110 /nfs/dbraw/zinc/97/71/10/519977110.db2.gz GILYKPZRGKMCBT-SANMLTNESA-N 0 0 438.637 6.853 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1 ZINC000098021293 519978331 /nfs/dbraw/zinc/97/83/31/519978331.db2.gz BLVPXYUPLGJUBI-RUZDIDTESA-N 0 0 442.600 6.684 50 30 IKEARN CCCCCCCCCC(=O)OCCN1CCN(C(=O)CCCCCCCCC)CC1 ZINC000095811635 519979096 /nfs/dbraw/zinc/97/90/96/519979096.db2.gz ALPNPGVHCIWBHY-UHFFFAOYSA-N 0 0 438.697 5.955 50 30 IKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)C(C)C ZINC000103000661 519987423 /nfs/dbraw/zinc/98/74/23/519987423.db2.gz QBBCVGARCAKNOM-UHFFFAOYSA-N 0 0 437.694 6.637 50 30 IKEARN CCCCCCCCCCCCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC ZINC000103000776 519987788 /nfs/dbraw/zinc/98/77/88/519987788.db2.gz BLPSQMIHQCCWPL-RUZDIDTESA-N 0 0 435.674 6.979 50 30 IKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nn1cnnc1)C(Cl)(Cl)Cl ZINC000097950948 519988505 /nfs/dbraw/zinc/98/85/05/519988505.db2.gz NHYATYLVGJSZJG-QGZVFWFLSA-N 0 0 440.847 5.335 50 30 IKEARN CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000085530556 519995339 /nfs/dbraw/zinc/99/53/39/519995339.db2.gz ZKHOYAKAFALNQD-UHFFFAOYSA-N 0 0 438.781 10.322 50 30 biogenic,in-vitro IKEARN CCCCCCCCCCCCCCCCNC(=O)COc1cc(C)ccc1C(C)C ZINC000008400080 519999158 /nfs/dbraw/zinc/99/91/58/519999158.db2.gz FHEBVPZQSARXAL-UHFFFAOYSA-N 0 0 431.705 8.095 50 30 IKEARN CCCCCCCCCCCCCCNc1ccc(P(=O)(OCC)OCC)cc1 ZINC000100041204 520005969 /nfs/dbraw/zinc/00/59/69/520005969.db2.gz XQVBVGHNDNUNSQ-UHFFFAOYSA-N 0 0 425.594 7.691 50 30 IKEARN CCCCCCCCCCCCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000070672661 520009289 /nfs/dbraw/zinc/00/92/89/520009289.db2.gz RKWHXWYFZGCTMG-QHCPKHFHSA-N 0 0 429.605 5.472 50 30 biogenic IKEARN CCCCCCCCCCCCNC(=O)CC(=O)NCCCCCCCCCCCC ZINC000096022905 520009869 /nfs/dbraw/zinc/00/98/69/520009869.db2.gz WXJWELMRIUKHGH-UHFFFAOYSA-N 0 0 438.741 7.451 50 30 IKEARN CCCCCCCCCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000070670017 520012205 /nfs/dbraw/zinc/01/22/05/520012205.db2.gz WHLBCNRCXJZXMF-CDJZJNNCSA-N 0 0 428.610 5.320 50 30 biogenic IKEARN CCCCCCCCCCCCOP(N)(=O)OCCCCCCCCCCCC ZINC000073417728 520012429 /nfs/dbraw/zinc/01/24/29/520012429.db2.gz DWSIVZLNCWRJHW-UHFFFAOYSA-N 0 0 433.658 8.928 50 30 IKEARN CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21 ZINC000248294845 520012516 /nfs/dbraw/zinc/01/25/16/520012516.db2.gz WHLBCNRCXJZXMF-ZSYZGHEHSA-N 0 0 428.610 5.320 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000097997736 520020977 /nfs/dbraw/zinc/02/09/77/520020977.db2.gz AMRQYSSERUQRDI-QJOMJCCJSA-N 0 0 449.547 6.279 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\C(C)=C\c3ccccc3)C(=O)O2)cc1 ZINC000097997731 520021602 /nfs/dbraw/zinc/02/16/02/520021602.db2.gz HAAJZFNWQFPTJC-RMHGVJGPSA-N 0 0 445.603 7.497 50 30 IKEARN CCCCCCCCCCc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000101174307 520025664 /nfs/dbraw/zinc/02/56/64/520025664.db2.gz SJFJTXGVRWRVFF-UHFFFAOYSA-N 0 0 428.620 8.740 50 30 IKEARN CCCCCCCCCNc1c2cc(Br)ccc2nc2c1C(=O)CC(C)(C)C2 ZINC000053319471 520028147 /nfs/dbraw/zinc/02/81/47/520028147.db2.gz AXIKBAJZCMGMSL-UHFFFAOYSA-N 0 0 445.445 7.315 50 30 IKEARN CCCCCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000096021497 520037278 /nfs/dbraw/zinc/03/72/78/520037278.db2.gz ZROIAVRXDOTFFR-UHFFFAOYSA-N 0 0 438.619 7.339 50 30 IKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002387463 520040011 /nfs/dbraw/zinc/04/00/11/520040011.db2.gz MWDIDECVCXVCGK-UHFFFAOYSA-N 0 0 440.381 7.182 50 30 IKEARN CCCCCCCCOCC12CO[C@@H](c3ccc(F)cc3)N1[C@H](c1ccc(F)cc1)OC2 ZINC000103678688 520042116 /nfs/dbraw/zinc/04/21/16/520042116.db2.gz CVIAQUAIMWJTQD-DQEYMECFSA-N 0 0 445.550 6.141 50 30 IKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000097996984 520043360 /nfs/dbraw/zinc/04/33/60/520043360.db2.gz DEISOKKYSDYOEK-AWSUPERCSA-N 0 0 443.675 8.644 50 30 IKEARN CCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000097997933 520044199 /nfs/dbraw/zinc/04/41/99/520044199.db2.gz JILNXFQHZJPCMP-UHFFFAOYSA-N 0 0 426.597 7.604 50 30 biogenic IKEARN CCCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000053307960 520044696 /nfs/dbraw/zinc/04/46/96/520044696.db2.gz WVHZVRGAZFOLNR-UHFFFAOYSA-N 0 0 441.710 7.769 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc21 ZINC000002385128 520054125 /nfs/dbraw/zinc/05/41/25/520054125.db2.gz FEMCXNABPLZRQT-UHFFFAOYSA-N 0 0 443.551 5.059 50 30 IKEARN CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(Br)cc1 ZINC000050861915 520056210 /nfs/dbraw/zinc/05/62/10/520056210.db2.gz KNKQDUJBCIIGCW-UHFFFAOYSA-N 0 0 428.374 5.797 50 30 IKEARN CCCCCCCOc1c(C(=O)c2ccccc2)cc2c3c(cccc13)C(=O)c1ccccc1-2 ZINC000100368523 520061154 /nfs/dbraw/zinc/06/11/54/520061154.db2.gz JVCPSMYEYWMKLR-UHFFFAOYSA-N 0 0 448.562 7.631 50 30 IKEARN CCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc21 ZINC000002335735 520062164 /nfs/dbraw/zinc/06/21/64/520062164.db2.gz PQDNDNIEXRGGMO-UHFFFAOYSA-N 0 0 446.551 5.600 50 30 IKEARN CCCCCCCOc1ccc(S(=O)(=O)c2ccc(OCCCCCCC)cc2)cc1 ZINC000096022892 520064019 /nfs/dbraw/zinc/06/40/19/520064019.db2.gz PAIMTIKEDXKGRS-UHFFFAOYSA-N 0 0 446.653 7.218 50 30 IKEARN CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OC(C)C)cc2)cc1 ZINC000100686537 520064392 /nfs/dbraw/zinc/06/43/92/520064392.db2.gz KYQDARWHPWETHM-ZXVVBBHZSA-N 0 0 441.641 5.821 50 30 IKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCC)cn3)cc2)cc1 ZINC000097998414 520064664 /nfs/dbraw/zinc/06/46/64/520064664.db2.gz YAQVLGMAXBXGFO-UHFFFAOYSA-N 0 0 431.576 7.270 50 30 IKEARN CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 ZINC000097997897 520064675 /nfs/dbraw/zinc/06/46/75/520064675.db2.gz IENAOGUKRFUZDR-STZFKDTASA-N 0 0 432.347 6.687 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 ZINC000002296420 520065623 /nfs/dbraw/zinc/06/56/23/520065623.db2.gz JTHWGRIUIOBJKG-UHFFFAOYSA-N 0 0 428.623 6.007 50 30 IKEARN CCCCCCCc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1 ZINC000100917919 520069669 /nfs/dbraw/zinc/06/96/69/520069669.db2.gz HUNXAMJCNBVBKA-XMMPIXPASA-N 0 0 429.560 5.941 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000002401935 520072018 /nfs/dbraw/zinc/07/20/18/520072018.db2.gz YZLXITGWVUGZTN-UHFFFAOYSA-N 0 0 445.954 5.907 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002410966 520072182 /nfs/dbraw/zinc/07/21/82/520072182.db2.gz OUOHHSITXBUNRV-UHFFFAOYSA-N 0 0 425.536 5.562 50 30 IKEARN CCCCCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002326269 520073045 /nfs/dbraw/zinc/07/30/45/520073045.db2.gz LFEKAHZLLJMPIM-UHFFFAOYSA-N 0 0 434.584 6.492 50 30 IKEARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2cccc(C)c2)c1=O ZINC000013803750 520138756 /nfs/dbraw/zinc/13/87/56/520138756.db2.gz MUDMAZVWZSDGLO-LQKURTRISA-N 0 0 438.535 5.065 50 30 IKEARN CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O ZINC000004562813 520180072 /nfs/dbraw/zinc/18/00/72/520180072.db2.gz XYUPYRRVVTWALL-UHFFFAOYSA-N 0 0 433.636 6.871 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 ZINC000002055155 520206882 /nfs/dbraw/zinc/20/68/82/520206882.db2.gz OJJOXPNKKIAKSJ-IBGZPJMESA-N 0 0 432.358 5.006 50 30 IKEARN CC1(C)CC(=O)C(I)=C(Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000012856762 520252261 /nfs/dbraw/zinc/25/22/61/520252261.db2.gz XCMUTAYDYKSTDH-UHFFFAOYSA-N 0 0 425.188 5.033 50 30 IKEARN CC1(C)CC(=O)C(C(c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006855 520253973 /nfs/dbraw/zinc/25/39/73/520253973.db2.gz NAVBTWPITMDHNM-LJQANCHMSA-N 0 0 447.369 5.308 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 ZINC000000681658 520255625 /nfs/dbraw/zinc/25/56/25/520255625.db2.gz WCCKNWNZIOQPOF-UHFFFAOYSA-N 0 0 445.628 6.634 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1cccs1 ZINC000009597331 520258609 /nfs/dbraw/zinc/25/86/09/520258609.db2.gz HMCRSQOPSUURSL-LJQANCHMSA-N 0 0 449.601 5.324 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cccc(Br)c1 ZINC000000663065 520258815 /nfs/dbraw/zinc/25/88/15/520258815.db2.gz NTAHEAFMDPYKQC-PZJWPPBQSA-N 0 0 434.333 5.491 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3[C@@H]2c2ccc(F)cc2)C1 ZINC000064873966 520259859 /nfs/dbraw/zinc/25/98/59/520259859.db2.gz SIMFEUSQLHGFRY-JOCHJYFZSA-N 0 0 448.473 5.072 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc([N+](=O)[O-])cc4)nn3[C@H]2c2ccc(Cl)cc2)C1 ZINC000021658657 520260112 /nfs/dbraw/zinc/26/01/12/520260112.db2.gz OFBJWBOXZRGQKN-QHCPKHFHSA-N 0 0 448.910 5.770 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1ccc(F)cc1 ZINC000021722168 520262297 /nfs/dbraw/zinc/26/22/97/520262297.db2.gz ZANWQEGAPSFBSQ-VWLOTQADSA-N 0 0 447.554 6.094 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@H]2c1ccco1 ZINC000021722208 520262344 /nfs/dbraw/zinc/26/23/44/520262344.db2.gz AUEIMCPMWHAKJR-DEOSSOPVSA-N 0 0 445.494 6.267 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccs1 ZINC000018136976 520263196 /nfs/dbraw/zinc/26/31/96/520263196.db2.gz BLCMSKCJGVKIDG-AREMUKBSSA-N 0 0 442.584 6.134 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1ccccc1 ZINC000021722079 520263271 /nfs/dbraw/zinc/26/32/71/520263271.db2.gz YTQOWEQCYKXAEZ-AREMUKBSSA-N 0 0 437.543 6.535 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2[C@H]1CC=CCC1 ZINC000009483178 520264583 /nfs/dbraw/zinc/26/45/83/520264583.db2.gz SBXTZUYFCSRDJV-CCLHPLFOSA-N 0 0 447.623 5.299 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009008885 520266603 /nfs/dbraw/zinc/26/66/03/520266603.db2.gz VJTJLCNHVVRRIN-XMMPIXPASA-N 0 0 429.476 6.077 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OCc2ccccc2F)cc1 ZINC000012402406 520266664 /nfs/dbraw/zinc/26/66/64/520266664.db2.gz AZXBZCYPCIUTBU-HHHXNRCGSA-N 0 0 442.534 6.627 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@H]2c2ccccc2)C1 ZINC000020850502 520267233 /nfs/dbraw/zinc/26/72/33/520267233.db2.gz JQMNDMOPLWXOSP-NRFANRHFSA-N 0 0 434.540 5.368 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cc(Cl)ccc2OC(F)F)C1 ZINC000004786561 520268104 /nfs/dbraw/zinc/26/81/04/520268104.db2.gz AWKYQUZCZATWAC-FQEVSTJZSA-N 0 0 443.881 5.949 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@@H]2c2ccccc2)C1 ZINC000020850499 520268523 /nfs/dbraw/zinc/26/85/23/520268523.db2.gz JQMNDMOPLWXOSP-OAQYLSRUSA-N 0 0 434.540 5.368 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@@H]2c1ccccc1 ZINC000002417245 520270843 /nfs/dbraw/zinc/27/08/43/520270843.db2.gz YTBGEMBZTTWNQV-GOSISDBHSA-N 0 0 428.517 5.020 50 30 IKEARN CCCCCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850231 520273013 /nfs/dbraw/zinc/27/30/13/520273013.db2.gz NMLGVKZAYABCJW-HXUWFJFHSA-N 0 0 426.586 5.227 50 30 IKEARN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850345 520273317 /nfs/dbraw/zinc/27/33/17/520273317.db2.gz GOYXPUDPZNLWIK-FQEVSTJZSA-N 0 0 426.586 5.227 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1 ZINC000013176518 520287502 /nfs/dbraw/zinc/28/75/02/520287502.db2.gz RREADCRJTXDABK-VWLOTQADSA-N 0 0 441.571 7.292 50 30 IKEARN CCCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccc(C)cc2C)NC1=O ZINC000012652796 520322629 /nfs/dbraw/zinc/32/26/29/520322629.db2.gz KXXDJEYBQBFXQM-UNOMPAQXSA-N 0 0 445.382 5.746 50 30 IKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C ZINC000013122085 520330734 /nfs/dbraw/zinc/33/07/34/520330734.db2.gz WUFDHUTXBVGMFP-QHCPKHFHSA-N 0 0 446.478 5.101 50 30 IKEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccc(OC)cc13)O2 ZINC000020646651 520417440 /nfs/dbraw/zinc/41/74/40/520417440.db2.gz BNCBZIGIGYJUDJ-ZMOGYAJESA-N 0 0 434.536 5.224 50 30 IKEARN CCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000008426804 520432294 /nfs/dbraw/zinc/43/22/94/520432294.db2.gz VTAUTJAZIHITQQ-SANMLTNESA-N 0 0 445.559 5.229 50 30 IKEARN CCCOc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000008892466 520434577 /nfs/dbraw/zinc/43/45/77/520434577.db2.gz QRFJIXQSKWMRLJ-PIKZIKFNSA-N 0 0 449.550 7.180 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccc(C)cc2)N(CC)C1=O ZINC000013546947 520436208 /nfs/dbraw/zinc/43/62/08/520436208.db2.gz LXYQEMYXQSEUKH-HXNPFYCNSA-N 0 0 430.573 6.561 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000000629415 520496157 /nfs/dbraw/zinc/49/61/57/520496157.db2.gz LNGUJIJRGOTNDZ-QHCPKHFHSA-N 0 0 439.939 5.767 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(SC)cc1 ZINC000001130156 520498826 /nfs/dbraw/zinc/49/88/26/520498826.db2.gz SAXCBFNQTZAPLH-CYFREDJKSA-N 0 0 433.573 5.333 50 30 IKEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000019314531 520506760 /nfs/dbraw/zinc/50/67/60/520506760.db2.gz WGTIFUWEMHRDIA-SFHVURJKSA-N 0 0 432.358 5.006 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2cccc(C)c2O)C1=O ZINC000036257884 520535766 /nfs/dbraw/zinc/53/57/66/520535766.db2.gz VLLHHQJSIHWCCH-MHWRWJLKSA-N 0 0 449.450 5.263 50 30 IKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Sc3ccccc3)o2)C1=O ZINC000006173527 520538904 /nfs/dbraw/zinc/53/89/04/520538904.db2.gz LVCGAFLGEIVVCB-CYVLTUHYSA-N 0 0 449.553 5.974 50 30 IKEARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1 ZINC000100117583 520545439 /nfs/dbraw/zinc/54/54/39/520545439.db2.gz BNXHYJGYFILIDX-PZHNNBNVSA-N 0 0 432.926 6.435 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1C ZINC000013286232 520553392 /nfs/dbraw/zinc/55/33/92/520553392.db2.gz MRMVEXZDGFXVGY-YJOHERITSA-N 0 0 444.025 6.423 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\Cc1ccccc1 ZINC000013286179 520553487 /nfs/dbraw/zinc/55/34/87/520553487.db2.gz MFFMEFJPFXZRQY-YJOHERITSA-N 0 0 444.025 5.983 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)cc1O ZINC000013286336 520556633 /nfs/dbraw/zinc/55/66/33/520556633.db2.gz IELOJIVTFDAMDC-BEIQUOEZSA-N 0 0 425.579 5.475 50 30 IKEARN CCCCN1c2ccccc2/C(=C2/S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)C1=O ZINC000100311204 520599260 /nfs/dbraw/zinc/59/92/60/520599260.db2.gz JJIBUHATVABDNO-HSHDLNIQSA-N 0 0 425.941 5.091 50 30 IKEARN CCOc1cc(/C=C2/c3ccccc3NC2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000012469108 520626706 /nfs/dbraw/zinc/62/67/06/520626706.db2.gz JMTZDKPCHURSDM-JAIQZWGSSA-N 0 0 430.891 5.682 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O ZINC000059398477 520631684 /nfs/dbraw/zinc/63/16/84/520631684.db2.gz CCIADQUOKKTSCR-FQUZHOSTSA-N 0 0 426.538 5.060 50 30 IKEARN CCOc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000025760865 520639990 /nfs/dbraw/zinc/63/99/90/520639990.db2.gz LQPKZQRNFWFWJT-MFKUBSTISA-N 0 0 446.016 5.448 50 30 IKEARN CCOc1cc(C=NNc2ccc(Br)cc2)cc(Br)c1OC ZINC000008399846 520642089 /nfs/dbraw/zinc/64/20/89/520642089.db2.gz NZYOMTIPYJXZGK-VXLYETTFSA-N 0 0 428.124 5.065 50 30 IKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000716594 520689784 /nfs/dbraw/zinc/68/97/84/520689784.db2.gz RUAJHOHNJOQXRY-UHFFFAOYSA-N 0 0 444.955 5.845 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002055108 520700058 /nfs/dbraw/zinc/70/00/58/520700058.db2.gz AESGGEWVVJMBOS-LJQANCHMSA-N 0 0 436.379 5.941 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001175545 520803636 /nfs/dbraw/zinc/80/36/36/520803636.db2.gz IKGZULVYGBZODF-XMMPIXPASA-N 0 0 447.554 5.134 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000000689617 520808104 /nfs/dbraw/zinc/80/81/04/520808104.db2.gz UZWHFSOTMFIAEN-JOCHJYFZSA-N 0 0 438.930 5.722 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019634635 520817866 /nfs/dbraw/zinc/81/78/66/520817866.db2.gz USDMBBGSNOGXPP-WXVAWEFUSA-N 0 0 441.571 5.924 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000002055129 520818980 /nfs/dbraw/zinc/81/89/80/520818980.db2.gz MZGLMJVWCWYORV-HXUWFJFHSA-N 0 0 448.390 6.083 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019827747 520823712 /nfs/dbraw/zinc/82/37/12/520823712.db2.gz RCFHNUKWLMEQBX-XMMPIXPASA-N 0 0 433.523 5.216 50 30 IKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019855105 520825909 /nfs/dbraw/zinc/82/59/09/520825909.db2.gz OIKKHQBJFZQQSO-JOCHJYFZSA-N 0 0 442.342 5.705 50 30 IKEARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)C1C(=O)c1ccccc1 ZINC000012416647 520826542 /nfs/dbraw/zinc/82/65/42/520826542.db2.gz MBAKNYDGHLYQIR-JOCHJYFZSA-N 0 0 434.326 6.515 50 30 IKEARN CCOc1ccc(C(C)N=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1 ZINC000025559709 520843196 /nfs/dbraw/zinc/84/31/96/520843196.db2.gz DAYFHCCTDUYHQJ-GBYSFBBLSA-N 0 0 436.625 6.467 50 30 IKEARN CCOc1ccc(/C=C2\CC(C(C)(C)CC)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 ZINC000004826605 520850093 /nfs/dbraw/zinc/85/00/93/520850093.db2.gz NCQYAEUIPQEULU-GJHDBBOXSA-N 0 0 432.604 7.366 50 30 IKEARN CCN(CC)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(O)c1 ZINC000012819956 520880081 /nfs/dbraw/zinc/88/00/81/520880081.db2.gz JGPJIQMERUPFDL-PGMHBOJBSA-N 0 0 428.557 6.272 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000012486226 520882166 /nfs/dbraw/zinc/88/21/66/520882166.db2.gz ANMSONZOHGCQJK-QFIPXVFZSA-N 0 0 448.906 5.225 50 30 IKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000008396798 520918195 /nfs/dbraw/zinc/91/81/95/520918195.db2.gz AZSQKYMBAGGFGD-AREMUKBSSA-N 0 0 445.559 5.577 50 30 IKEARN CCOc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1OC ZINC000096514194 520928414 /nfs/dbraw/zinc/92/84/14/520928414.db2.gz ORMKCMYXXNPOFC-UHFFFAOYSA-N 0 0 442.552 5.580 50 30 IKEARN CCOc1ccc(CC(NCCc2ccccc2)=C2C(=O)CC(C)(C)CC2=O)cc1OCC ZINC000100148062 520941283 /nfs/dbraw/zinc/94/12/83/520941283.db2.gz BTOXZDWXMCWYDO-UHFFFAOYSA-N 0 0 449.591 5.071 50 30 IKEARN CCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850772 520979418 /nfs/dbraw/zinc/97/94/18/520979418.db2.gz KLJWGWQOMKMPBK-FQEVSTJZSA-N 0 0 426.586 5.227 50 30 IKEARN CCOc1ccc(N(C)c2ccc(/C=C3/Sc4ccc5ccccc5c4C3=O)cc2)cc1 ZINC000027520478 521021856 /nfs/dbraw/zinc/02/18/56/521021856.db2.gz QYBVUFNRHHZGAH-NLRVBDNBSA-N 0 0 437.564 7.336 50 30 IKEARN CCOc1ccc(N2COc3c(C)c4c(cc3C2)C(=O)/C(=C/c2ccc(OC)cc2)O4)cc1 ZINC000009060753 521043163 /nfs/dbraw/zinc/04/31/63/521043163.db2.gz LUWYHIVQFNLEST-CFRMEGHHSA-N 0 0 443.499 5.375 50 30 IKEARN CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000013617429 521118588 /nfs/dbraw/zinc/11/85/88/521118588.db2.gz WLVVQLIZCFBEMH-QITWFEPBSA-N 0 0 445.588 5.873 50 30 IKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000013568496 521240742 /nfs/dbraw/zinc/24/07/42/521240742.db2.gz APWHKHLFUGVKQB-SFTDATJTSA-N 0 0 433.548 5.222 50 30 IKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000013617431 521252989 /nfs/dbraw/zinc/25/29/89/521252989.db2.gz WLVVQLIZCFBEMH-BRMRTEOQSA-N 0 0 445.588 5.873 50 30 IKEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccc(OC)cc4)nn32)cc1 ZINC000009731771 521269279 /nfs/dbraw/zinc/26/92/79/521269279.db2.gz PADYTMQKGGZNIK-QHCPKHFHSA-N 0 0 444.535 5.011 50 30 IKEARN CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccnc2)cc1 ZINC000018198748 521274160 /nfs/dbraw/zinc/27/41/60/521274160.db2.gz SABLQFQNCHYDFP-XMMPIXPASA-N 0 0 426.516 5.516 50 30 IKEARN CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984148 521274404 /nfs/dbraw/zinc/27/44/04/521274404.db2.gz VHAYGGMUMPFYQC-UHFFFAOYSA-N 0 0 431.557 5.987 50 30 IKEARN CCOc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012346911 521274977 /nfs/dbraw/zinc/27/49/77/521274977.db2.gz WQOFDWNGZPMCLV-OAQYLSRUSA-N 0 0 429.520 5.177 50 30 IKEARN CCC(C)(C)C1C/C(=C\c2ccc3c(c2)OCO3)C(=O)/C(=C/c2ccc3c(c2)OCO3)C1 ZINC000012418567 521275501 /nfs/dbraw/zinc/27/55/01/521275501.db2.gz XYUFDRCNZPGSGE-LQGKIZFRSA-N 0 0 432.516 6.026 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000021660457 521275635 /nfs/dbraw/zinc/27/56/35/521275635.db2.gz IZMNHMUWDJVXOA-UUOWRZLLSA-N 0 0 430.504 5.349 50 30 IKEARN CCCCn1c(/N=C/c2ccc(N(C)C)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000100176678 521353424 /nfs/dbraw/zinc/35/34/24/521353424.db2.gz CPQPOTZRQGTCLS-WEMUVCOSSA-N 0 0 446.598 7.310 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1 ZINC000019879799 521363957 /nfs/dbraw/zinc/36/39/57/521363957.db2.gz XTGBMTDYYFWIIP-WMMPRDMWSA-N 0 0 438.597 5.696 50 30 IKEARN CCCc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1 ZINC000013574718 521421681 /nfs/dbraw/zinc/42/16/81/521421681.db2.gz VCAPLXIOBMSHOO-ACCUITESSA-N 0 0 447.585 6.041 50 30 IKEARN CCOC(=O)c1cc(C#N)c(Sc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000012338457 521428454 /nfs/dbraw/zinc/42/84/54/521428454.db2.gz YCCBFQGKDLADPY-UHFFFAOYSA-N 0 0 429.328 6.255 50 30 IKEARN CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(Br)cc3)o2)cc1 ZINC000012125021 521459871 /nfs/dbraw/zinc/45/98/71/521459871.db2.gz UABRPSONZAGZLU-ACCUITESSA-N 0 0 425.278 5.782 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(Cl)ccc1OC ZINC000013286417 521512500 /nfs/dbraw/zinc/51/25/00/521512500.db2.gz JBRJJQPSKPEIBD-MGXYOJEMSA-N 0 0 431.970 5.343 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C2CCCCC2)cc1 ZINC000013286419 521512689 /nfs/dbraw/zinc/51/26/89/521512689.db2.gz GZBNOXZWWFHUEE-SLJQUXCSSA-N 0 0 449.645 6.728 50 30 IKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000013286414 521513419 /nfs/dbraw/zinc/51/34/19/521513419.db2.gz MEQKKQNRCGBEPY-MRYQGKFNSA-N 0 0 435.496 5.699 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)ccc1Cl ZINC000008385141 521528431 /nfs/dbraw/zinc/52/84/31/521528431.db2.gz FXVWHACBOFDDJZ-PWEHGMCJSA-N 0 0 440.327 5.113 50 30 IKEARN CCN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000033412599 521541426 /nfs/dbraw/zinc/54/14/26/521541426.db2.gz SLUYHMQHCNSIMF-BGPOSVGRSA-N 0 0 441.185 6.672 50 30 IKEARN CCN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C1 ZINC000012648653 521542418 /nfs/dbraw/zinc/54/24/18/521542418.db2.gz SLUYHMQHCNSIMF-BSHIDLADSA-N 0 0 441.185 6.672 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000028052426 521581587 /nfs/dbraw/zinc/58/15/87/521581587.db2.gz YMVQRNONNZPEBD-BXKMTCNYSA-N 0 0 430.504 5.349 50 30 IKEARN CCOC(=O)c1sc(NC(C)C)nc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000020607347 521615789 /nfs/dbraw/zinc/61/57/89/521615789.db2.gz WRWMDGRSCPHZOI-UHFFFAOYSA-N 0 0 444.504 5.026 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000012579496 521617770 /nfs/dbraw/zinc/61/77/70/521617770.db2.gz ORLCPCJHIRPNPH-KRWDZBQOSA-N 0 0 435.467 5.817 50 30 IKEARN CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)SC1=S ZINC000012630259 521698228 /nfs/dbraw/zinc/69/82/28/521698228.db2.gz SVGKAHYTYKIKCU-BKUYFWCQSA-N 0 0 438.574 5.147 50 30 IKEARN CCN1c2ccccc2S/C1=C\C=C1\S/C(=N\c2cccc3ncccc23)N(C)C1=O ZINC000015985174 521730987 /nfs/dbraw/zinc/73/09/87/521730987.db2.gz MLYQSWJIORZOBV-ONUWXRSBSA-N 0 0 444.585 5.785 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1CC ZINC000053239378 521805139 /nfs/dbraw/zinc/80/51/39/521805139.db2.gz JZPDBACNEOGMFU-HXNPFYCNSA-N 0 0 428.557 6.326 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1CC ZINC000053276118 521805224 /nfs/dbraw/zinc/80/52/24/521805224.db2.gz PBRJFQKUOYRTIB-HXNPFYCNSA-N 0 0 428.557 6.326 50 30 IKEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccc(C)cc1 ZINC000036020649 521891800 /nfs/dbraw/zinc/89/18/00/521891800.db2.gz MHGKBTNHGIWNDF-UHFFFAOYSA-N 0 0 427.548 5.758 50 30 IKEARN CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000021355956 521893278 /nfs/dbraw/zinc/89/32/78/521893278.db2.gz VGVXVFRZFLVXMX-VWLOTQADSA-N 0 0 427.504 6.054 50 30 IKEARN COc1cc(/C=C2/CCC/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O ZINC000035073436 521950203 /nfs/dbraw/zinc/95/02/03/521950203.db2.gz HVOVCVCXCXFKMY-LRSUZXNRSA-N 0 0 435.303 5.642 50 30 IKEARN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000012447502 521952998 /nfs/dbraw/zinc/95/29/98/521952998.db2.gz PVVHWUQRMFXSOI-BUVRLJJBSA-N 0 0 444.556 5.783 50 30 IKEARN COc1cc(C=C2SC(=O)N=C2Nc2ccccc2)ccc1OCc1c(C)noc1C ZINC000095480742 521957783 /nfs/dbraw/zinc/95/77/83/521957783.db2.gz HHQASCKLUFUAOE-CIAFOILYSA-N 0 0 435.505 5.611 50 30 IKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O ZINC000008872766 521991913 /nfs/dbraw/zinc/99/19/13/521991913.db2.gz FTMCZHKLHUXNNT-AFUMVMLFSA-N 0 0 435.936 6.291 50 30 IKEARN COc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OCCc1ccccc1 ZINC000001780597 522004574 /nfs/dbraw/zinc/00/45/74/522004574.db2.gz FSNCWLWXCQMMSJ-WPWMEQJKSA-N 0 0 444.560 5.083 50 30 IKEARN COC(=O)c1ccc(COc2ccccc2/C=C2\CCc3cc(OC)ccc3C2=O)cc1 ZINC000013140830 522046409 /nfs/dbraw/zinc/04/64/09/522046409.db2.gz ADHNONUXLDJNOE-PXLXIMEGSA-N 0 0 428.484 5.273 50 30 IKEARN COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000012139024 522051358 /nfs/dbraw/zinc/05/13/58/522051358.db2.gz VGICGCCKSXYXKM-UHFFFAOYSA-N 0 0 436.536 6.366 50 30 IKEARN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)C=CNc3ccc(Cl)cc3)c2)n1 ZINC000091695708 522118792 /nfs/dbraw/zinc/11/87/92/522118792.db2.gz OKZJNZFHTJRZGE-ZHACJKMWSA-N 0 0 445.872 6.295 50 30 IKEARN CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2cccc(Cl)c2)cc1 ZINC000095101201 522139972 /nfs/dbraw/zinc/13/99/72/522139972.db2.gz JYLJVECKHGUUMG-JVWAILMASA-N 0 0 445.906 6.031 50 30 IKEARN CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000006077086 522159073 /nfs/dbraw/zinc/15/90/73/522159073.db2.gz LGRSYDUNFLNQCE-UHFFFAOYSA-N 0 0 438.524 5.061 50 30 IKEARN COC(=O)c1ccccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)o1 ZINC000033291507 522253092 /nfs/dbraw/zinc/25/30/92/522253092.db2.gz YFUKDNFDIIYZKM-UNOMPAQXSA-N 0 0 438.892 5.278 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000001177557 522307416 /nfs/dbraw/zinc/30/74/16/522307416.db2.gz NDLUPDDIAFUBRD-UHFFFAOYSA-N 0 0 443.971 5.370 50 30 IKEARN COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1c(Cl)cccc1Cl ZINC000012950860 522400724 /nfs/dbraw/zinc/40/07/24/522400724.db2.gz OSUZGKQOCFHSAM-AUEPDCJTSA-N 0 0 438.698 5.170 50 30 IKEARN CO/N=C1\CC(C)(C)Cc2c(-c3ccn(C(=O)c4cccs4)n3)sc(SC)c21 ZINC000013466151 522737260 /nfs/dbraw/zinc/73/72/60/522737260.db2.gz BYUPZDYCRTZGGH-HYARGMPZSA-N 0 0 431.608 5.406 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)c1 ZINC000035847521 522839001 /nfs/dbraw/zinc/83/90/01/522839001.db2.gz YUAPDBBOACPSBS-UHFFFAOYSA-N 0 0 434.565 5.631 50 30 IKEARN COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2)c1 ZINC000035847628 522839626 /nfs/dbraw/zinc/83/96/26/522839626.db2.gz JPOYACSFEAWDRS-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000027570832 522867860 /nfs/dbraw/zinc/86/78/60/522867860.db2.gz HFMQGSNPACYRJH-KGENOOAVSA-N 0 0 433.891 5.786 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000000629404 522877906 /nfs/dbraw/zinc/87/79/06/522877906.db2.gz PEGPZEMWPWLVTF-JOCHJYFZSA-N 0 0 425.912 5.377 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1c(F)cccc1Cl ZINC000001130018 522881671 /nfs/dbraw/zinc/88/16/71/522881671.db2.gz CCPSBZYGMFJUEL-PSLXWICFSA-N 0 0 443.877 5.153 50 30 IKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)ccc1OC(C)C ZINC000013568608 522920807 /nfs/dbraw/zinc/92/08/07/522920807.db2.gz UEOHFARGAVGEPV-WMZOPIPTSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O ZINC000013568558 522931672 /nfs/dbraw/zinc/93/16/72/522931672.db2.gz SWQKAUBNQMTHIB-QLXKLKPCSA-N 0 0 430.479 5.519 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)ccc1OC(C)C ZINC000013568607 522956735 /nfs/dbraw/zinc/95/67/35/522956735.db2.gz UEOHFARGAVGEPV-SJLPKXTDSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000036512708 522956852 /nfs/dbraw/zinc/95/68/52/522956852.db2.gz JTPGPCPTIZVXAF-OAQYLSRUSA-N 0 0 439.552 5.526 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)ccc1OC(C)C ZINC000013568609 522956958 /nfs/dbraw/zinc/95/69/58/522956958.db2.gz UEOHFARGAVGEPV-AEFFLSMTSA-N 0 0 439.939 5.140 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(Cl)cc2)ccc1O ZINC000033321099 522958693 /nfs/dbraw/zinc/95/86/93/522958693.db2.gz LLUMZAUJCNOVHZ-IVZQSRNASA-N 0 0 436.895 5.309 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000009805294 522965371 /nfs/dbraw/zinc/96/53/71/522965371.db2.gz WWNARZZRAGABCP-AREMUKBSSA-N 0 0 442.515 5.478 50 30 IKEARN COc1cc2c(cc1OC)C1=C[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000013576516 523022041 /nfs/dbraw/zinc/02/20/41/523022041.db2.gz CCFKZAIUMVVHHW-HXUWFJFHSA-N 0 0 449.978 5.997 50 30 IKEARN COc1cc2c(cc1OC)[C@@H](c1sccc1C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018200058 523044331 /nfs/dbraw/zinc/04/43/31/523044331.db2.gz HZZDGHGPDKORAN-RCDICMHDSA-N 0 0 437.586 6.093 50 30 IKEARN COc1cc2c(cc1OC)[C@H](c1sccc1C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018200056 523054009 /nfs/dbraw/zinc/05/40/09/523054009.db2.gz HZZDGHGPDKORAN-FPTDNZKUSA-N 0 0 437.586 6.093 50 30 IKEARN CCc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Cl ZINC000020602297 523063576 /nfs/dbraw/zinc/06/35/76/523063576.db2.gz LBUHSGWMJTYWMN-UHFFFAOYSA-N 0 0 437.996 6.328 50 30 IKEARN COc1ccc(-c2cc(-c3cccs3)nc(SCc3ccc(C#N)cc3)c2C#N)cc1 ZINC000012249687 523086596 /nfs/dbraw/zinc/08/65/96/523086596.db2.gz QGXPKTMGCZANHO-UHFFFAOYSA-N 0 0 439.565 6.521 50 30 IKEARN COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)c(OC)c1 ZINC000022416359 523262389 /nfs/dbraw/zinc/26/23/89/523262389.db2.gz OLSKBEQSQOQKLF-UHFFFAOYSA-N 0 0 429.501 5.585 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)c2ccccc21 ZINC000020650219 523304743 /nfs/dbraw/zinc/30/47/43/523304743.db2.gz NZJVEMLDYNICJQ-SYVXVWBXSA-N 0 0 430.548 5.461 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c2ccccc21 ZINC000009422498 523305855 /nfs/dbraw/zinc/30/58/55/523305855.db2.gz WCOWGGOSYCTFAU-AFUMVMLFSA-N 0 0 443.930 6.818 50 30 IKEARN CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21 ZINC000008993597 523308056 /nfs/dbraw/zinc/30/80/56/523308056.db2.gz WVPREXVVWJCVTA-ZMOGYAJESA-N 0 0 443.886 6.150 50 30 IKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3cccc(C)c3)cc2-c2ccc(F)cc2)cc1 ZINC000035843475 523311292 /nfs/dbraw/zinc/31/12/92/523311292.db2.gz GQUROSNYZSBDAY-COEJQBHMSA-N 0 0 442.534 6.850 50 30 IKEARN CCn1cc(C(=O)/C=C/c2ccc(COc3ccc(Br)c(Cl)c3)o2)c(C)n1 ZINC000022528939 523315380 /nfs/dbraw/zinc/31/53/80/523315380.db2.gz ZNPOFZWMDFYJIV-VQHVLOKHSA-N 0 0 449.732 5.695 50 30 IKEARN COc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 ZINC000012497024 523399792 /nfs/dbraw/zinc/39/97/92/523399792.db2.gz TZRSXQYFWJBVNN-GXDHUFHOSA-N 0 0 443.930 6.777 50 30 IKEARN COc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000095093707 523409986 /nfs/dbraw/zinc/40/99/86/523409986.db2.gz PUPGKKCPLWYJLH-YFJQDTPYSA-N 0 0 425.528 5.256 50 30 IKEARN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 ZINC000036612258 523419468 /nfs/dbraw/zinc/41/94/68/523419468.db2.gz FJIRFWDJPBXNKB-IQQYQOOISA-N 0 0 430.544 5.739 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1 ZINC000217738176 523423141 /nfs/dbraw/zinc/42/31/41/523423141.db2.gz PQALWAMMDDOMKX-FKYOTISTSA-N 0 0 449.462 5.301 50 30 biogenic IKEARN COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c(OC)c1OC ZINC000011869790 523424211 /nfs/dbraw/zinc/42/42/11/523424211.db2.gz HLXLSHVDGRILLH-CFRMEGHHSA-N 0 0 446.499 5.524 50 30 biogenic IKEARN COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c(OC)c1OC ZINC000013654424 523425932 /nfs/dbraw/zinc/42/59/32/523425932.db2.gz NIFKPOIFZVZXBG-IRDHKZPBSA-N 0 0 444.483 5.421 50 30 IKEARN COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2s1 ZINC000035074592 523435171 /nfs/dbraw/zinc/43/51/71/523435171.db2.gz PWZIBQSESXXLPX-SDQBBNPISA-N 0 0 433.554 6.199 50 30 IKEARN COc1ccc(/C=N/N=C(/NC(=O)Nc2ccccc2)SCc2ccc(F)cc2)cc1 ZINC000012368627 523442074 /nfs/dbraw/zinc/44/20/74/523442074.db2.gz HRPIWMDRJKDSQV-MFKUBSTISA-N 0 0 436.512 5.279 50 30 IKEARN COc1ccc(/C=N/NC(=S)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1OCc1ccccc1 ZINC000008648732 523444297 /nfs/dbraw/zinc/44/42/97/523444297.db2.gz JZZUWEHFCXEDNH-QXTIAASZSA-N 0 0 439.625 5.287 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC ZINC000008830077 523447294 /nfs/dbraw/zinc/44/72/94/523447294.db2.gz NLZRIDQQYQHPRR-OPEKNORGSA-N 0 0 436.821 5.279 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)cc1 ZINC000083309677 523466645 /nfs/dbraw/zinc/46/66/45/523466645.db2.gz ICOCMJQUQQWCPW-GSSCTWANSA-N 0 0 435.461 5.097 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000012420324 523467569 /nfs/dbraw/zinc/46/75/69/523467569.db2.gz CVLCOTMAMDSXPO-MKIITAJQSA-N 0 0 434.492 5.652 50 30 IKEARN COC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1cccs1 ZINC000008868765 523479552 /nfs/dbraw/zinc/47/95/52/523479552.db2.gz VSYQXIYUMOWUTH-UFWORHAWSA-N 0 0 427.338 5.803 50 30 IKEARN COc1ccc(Br)cc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000012369075 523491706 /nfs/dbraw/zinc/49/17/06/523491706.db2.gz UUUCBQCLJNTOOJ-QPJQQBGISA-N 0 0 442.062 6.229 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 ZINC000009013403 523542093 /nfs/dbraw/zinc/54/20/93/523542093.db2.gz XTLZACFZSDEUKR-UUILKARUSA-N 0 0 433.460 5.396 50 30 IKEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2C)c1 ZINC000011867673 523542831 /nfs/dbraw/zinc/54/28/31/523542831.db2.gz HVBYFMWZBMYFSC-UKTHLTGXSA-N 0 0 432.472 5.136 50 30 biogenic IKEARN CC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000051366836 523606554 /nfs/dbraw/zinc/60/65/54/523606554.db2.gz OYEUKCYVXSYVKV-JCAVJTNVSA-N 0 0 430.371 5.002 50 30 IKEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000051366853 523606720 /nfs/dbraw/zinc/60/67/20/523606720.db2.gz HUHMPQIMRFPRLA-STXSBSPXSA-N 0 0 447.560 5.101 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2Cl)Nc2ccc(C)cc2C)c1C ZINC000032972149 523641105 /nfs/dbraw/zinc/64/11/05/523641105.db2.gz XGOYKDPGBNEWFW-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1sccc1C ZINC000012463226 523662818 /nfs/dbraw/zinc/66/28/18/523662818.db2.gz MVOLPQKOUHRUSD-RTWAWAEBSA-N 0 0 432.545 5.204 50 30 IKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)cc1 ZINC000021722427 523677960 /nfs/dbraw/zinc/67/79/60/523677960.db2.gz NCBGUCIAQKSRMA-VWLOTQADSA-N 0 0 442.515 5.745 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1 ZINC000009280922 523773511 /nfs/dbraw/zinc/77/35/11/523773511.db2.gz DIMKHRGTGAWQFP-MTJSOVHGSA-N 0 0 441.266 5.837 50 30 IKEARN COc1ccc(C2=C(C(=O)c3ccccc3)[C@@H](C)Nc3nc4ccccc4n32)cc1OC ZINC000020569231 523870113 /nfs/dbraw/zinc/87/01/13/523870113.db2.gz GIKIRKWSHMQYFO-MRXNPFEDSA-N 0 0 425.488 5.010 50 30 IKEARN CCc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950851 523876824 /nfs/dbraw/zinc/87/68/24/523876824.db2.gz NYCLNETWYSBVEO-UHFFFAOYSA-N 0 0 435.520 5.655 50 30 IKEARN CCc1ccc(C(=O)C2=CN(c3cccc(CC)c3)c3ccc(F)cc3S2(=O)=O)cc1 ZINC000032950856 523877400 /nfs/dbraw/zinc/87/74/00/523877400.db2.gz DWYJHUSQLPFUOO-UHFFFAOYSA-N 0 0 435.520 5.600 50 30 IKEARN COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 ZINC000008431176 523877758 /nfs/dbraw/zinc/87/77/58/523877758.db2.gz KYNOUCMSUPMWLO-RPWUZVMVSA-N 0 0 427.504 5.128 50 30 IKEARN COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1sccc1C ZINC000012463224 523941997 /nfs/dbraw/zinc/94/19/97/523941997.db2.gz MVOLPQKOUHRUSD-NHCUHLMSSA-N 0 0 432.545 5.204 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H](C#N)[C@@]2(O)C1 ZINC000247822076 524004389 /nfs/dbraw/zinc/00/43/89/524004389.db2.gz IKAYYSYGCHKPAB-BWYLQKMCSA-N 0 0 443.716 6.987 50 30 IKEARN CCc1ccc(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 ZINC000013897819 524005718 /nfs/dbraw/zinc/00/57/18/524005718.db2.gz VSDVDXYKQGAFGG-NLRVBDNBSA-N 0 0 449.507 5.460 50 30 IKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000010013696 524033621 /nfs/dbraw/zinc/03/36/21/524033621.db2.gz WYWPCRNZUDUEQG-XMMPIXPASA-N 0 0 432.539 5.631 50 30 IKEARN CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 ZINC000064775579 524034491 /nfs/dbraw/zinc/03/44/91/524034491.db2.gz RODDNCFYMOJUOJ-RUZDIDTESA-N 0 0 440.547 5.337 50 30 IKEARN CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321103 524041189 /nfs/dbraw/zinc/04/11/89/524041189.db2.gz WBGLFIYLTVLZBJ-MHECFPHRSA-N 0 0 430.504 5.218 50 30 IKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012652143 524043676 /nfs/dbraw/zinc/04/36/76/524043676.db2.gz OBVSHULDLPEWHN-HHHXNRCGSA-N 0 0 444.962 6.529 50 30 IKEARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 ZINC000064775580 524052655 /nfs/dbraw/zinc/05/26/55/524052655.db2.gz RODDNCFYMOJUOJ-VWLOTQADSA-N 0 0 440.547 5.337 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 ZINC000001450580 524060073 /nfs/dbraw/zinc/06/00/73/524060073.db2.gz KKPOCSRADBIFPD-FQEVSTJZSA-N 0 0 430.485 5.235 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1 ZINC000032943087 524071073 /nfs/dbraw/zinc/07/10/73/524071073.db2.gz SYQXRYBJZCPHNR-UHFFFAOYSA-N 0 0 428.511 5.310 50 30 IKEARN Cc1ccc(C)c(CSC2=N[C@@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1 ZINC000012954249 524105453 /nfs/dbraw/zinc/10/54/53/524105453.db2.gz INAACLLPXVNCRV-DEOSSOPVSA-N 0 0 428.532 5.984 50 30 IKEARN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)c1 ZINC000065165018 524111358 /nfs/dbraw/zinc/11/13/58/524111358.db2.gz NAYHZYOTJGYWNN-JOCHJYFZSA-N 0 0 446.576 5.237 50 30 IKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)c1 ZINC000001439856 524173728 /nfs/dbraw/zinc/17/37/28/524173728.db2.gz WZOYIUBDCZQEMK-DWXRJYCRSA-N 0 0 430.935 6.328 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1O ZINC000013568533 524186711 /nfs/dbraw/zinc/18/67/11/524186711.db2.gz LXXCBZMSVOQMKD-SGANQWHYSA-N 0 0 446.934 6.034 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1O ZINC000000815893 524187250 /nfs/dbraw/zinc/18/72/50/524187250.db2.gz XYKAAHIVTFOQNE-WXTAPIANSA-N 0 0 426.516 5.689 50 30 IKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccc(Cl)cc2)[C@]1(C)Cc1ccccc1 ZINC000027495852 524244834 /nfs/dbraw/zinc/24/48/34/524244834.db2.gz VDURZFJPJBGVOM-RUZDIDTESA-N 0 0 434.008 6.383 50 30 IKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000002188185 524245828 /nfs/dbraw/zinc/24/58/28/524245828.db2.gz ARBUPTTYLSOIQS-PSYZWBJOSA-N 0 0 429.501 6.020 50 30 IKEARN COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4c(C)cccc4C)n3)oc21 ZINC000096924556 524256421 /nfs/dbraw/zinc/25/64/21/524256421.db2.gz OXAMOHDAIONDFH-QXMHVHEDSA-N 0 0 446.528 6.095 50 30 IKEARN Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 ZINC000095480981 524331090 /nfs/dbraw/zinc/33/10/90/524331090.db2.gz YYJOHIQCSCXTOM-ZRJLEYOISA-N 0 0 444.538 5.291 50 30 IKEARN Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@@H]3C2(C#N)C#N)c(C)c1 ZINC000095480982 524331964 /nfs/dbraw/zinc/33/19/64/524331964.db2.gz YYJOHIQCSCXTOM-IEUSDUHPSA-N 0 0 444.538 5.291 50 30 IKEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000009185469 524361825 /nfs/dbraw/zinc/36/18/25/524361825.db2.gz WYFYGZJNMVIGIE-MTJSOVHGSA-N 0 0 441.266 5.837 50 30 IKEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000009423150 524362573 /nfs/dbraw/zinc/36/25/73/524362573.db2.gz JZYRRUGSSNMNQZ-ZMOGYAJESA-N 0 0 425.440 5.022 50 30 IKEARN Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(Cl)c3)c3ccccc32)c1 ZINC000003041415 524384117 /nfs/dbraw/zinc/38/41/17/524384117.db2.gz NVOJOYCXLNIPMT-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN COc1ccc(N2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)S/C2=N\C(C)(C)C)cc1 ZINC000015634628 524395072 /nfs/dbraw/zinc/39/50/72/524395072.db2.gz SAZVCVPUFLNCES-CQKAXJAZSA-N 0 0 437.487 5.528 50 30 IKEARN Cc1cc(C)cc(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc32)c1 ZINC000002376104 524434051 /nfs/dbraw/zinc/43/40/51/524434051.db2.gz FSMVTGPYXWPYGH-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN Cc1cccc(CSc2nc3n(n2)[C@@H](c2cccc(Cl)c2)C2C(=O)CCCC2=N3)c1 ZINC000009856538 524464013 /nfs/dbraw/zinc/46/40/13/524464013.db2.gz UJHJNLNRYDKBJY-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000020575672 524485952 /nfs/dbraw/zinc/48/59/52/524485952.db2.gz ODLCHQYFKXIPSI-UNOMPAQXSA-N 0 0 444.965 5.196 50 30 IKEARN Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)cc1 ZINC000020575695 524485962 /nfs/dbraw/zinc/48/59/62/524485962.db2.gz ZJGOLHFOBFJDQZ-BKUYFWCQSA-N 0 0 438.574 5.160 50 30 IKEARN COc1ccccc1COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000009421930 524496136 /nfs/dbraw/zinc/49/61/36/524496136.db2.gz GILGVDMLVJYXSX-AFUMVMLFSA-N 0 0 425.484 5.691 50 30 IKEARN Cc1cccc(NC(=NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000006244595 524528904 /nfs/dbraw/zinc/52/89/04/524528904.db2.gz ZNJSEEHHVGJZTA-UHFFFAOYSA-N 0 0 429.339 5.005 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2Cl)n1 ZINC000013319817 524580969 /nfs/dbraw/zinc/58/09/69/524580969.db2.gz IDVCFAKZRPSEMC-QFIPXVFZSA-N 0 0 435.955 5.286 50 30 IKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000006015308 524585231 /nfs/dbraw/zinc/58/52/31/524585231.db2.gz VYESIIKCKJBLMG-QHCPKHFHSA-N 0 0 434.511 5.077 50 30 IKEARN Cc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1C ZINC000021722315 524628066 /nfs/dbraw/zinc/62/80/66/524628066.db2.gz FXWOBPGWIFFPJH-VWLOTQADSA-N 0 0 427.504 6.109 50 30 IKEARN COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(F)F ZINC000012822914 524647230 /nfs/dbraw/zinc/64/72/30/524647230.db2.gz BCHMJODMNGGSOZ-UHFFFAOYSA-N 0 0 426.444 5.572 50 30 IKEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2Cl)c1 ZINC000064874108 524663675 /nfs/dbraw/zinc/66/36/75/524663675.db2.gz VZUMHIHYNAEIOQ-JOCHJYFZSA-N 0 0 432.911 5.119 50 30 IKEARN Cc1cccc(NC(=S)N(CCCNC2=CC(=O)CC(C)(C)C2)C2CCCCC2)c1 ZINC000004663377 524666313 /nfs/dbraw/zinc/66/63/13/524666313.db2.gz INWYJKQRHXOQPU-UHFFFAOYSA-N 0 0 427.658 5.579 50 30 IKEARN Cc1cccc(N=C2C=C(NS(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3C2=O)c1 ZINC000012620832 524669338 /nfs/dbraw/zinc/66/93/38/524669338.db2.gz HSIDQRIZCQLRKF-WEMUOSSPSA-N 0 0 444.556 5.291 50 30 IKEARN COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652217 524745944 /nfs/dbraw/zinc/74/59/44/524745944.db2.gz LPLOBBGHUSLRJJ-AREMUKBSSA-N 0 0 444.556 5.506 50 30 IKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2c(c1)OCO2 ZINC000013568664 524748524 /nfs/dbraw/zinc/74/85/24/524748524.db2.gz FRACDMYJQALVPS-SOKVYYICSA-N 0 0 440.499 5.403 50 30 IKEARN Cc1cccc(OCCOc2ccc(Cl)cc2C=NNC(=S)Nc2ccccc2)c1 ZINC000244647087 524749522 /nfs/dbraw/zinc/74/95/22/524749522.db2.gz GUWVYLYHOQMPDP-UHFFFAOYSA-N 0 0 439.968 5.427 50 30 IKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1F ZINC000001074531 524750355 /nfs/dbraw/zinc/75/03/55/524750355.db2.gz XDKMKSMRMGPQFU-GKVSMKOHSA-N 0 0 449.522 5.148 50 30 IKEARN COc1ccc(OC)c(C=CC(=O)c2c(=O)[nH]c3cc(C)ccc3c2-c2ccccc2)c1 ZINC000170620015 524799656 /nfs/dbraw/zinc/79/96/56/524799656.db2.gz XKJKBIQSAWJJIL-JLHYYAGUSA-N 0 0 425.484 5.829 50 30 IKEARN Cc1cccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1 ZINC000064775586 524887112 /nfs/dbraw/zinc/88/71/12/524887112.db2.gz PJGBDQYDPQSIBK-DEOSSOPVSA-N 0 0 426.520 5.083 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000032943085 524912894 /nfs/dbraw/zinc/91/28/94/524912894.db2.gz PZMGVKWRGMXZJC-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN Cc1ccc(N2C(=O)S[C@@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)cc1 ZINC000020805994 524926144 /nfs/dbraw/zinc/92/61/44/524926144.db2.gz ASEJRRBSOKJNQR-OAQYLSRUSA-N 0 0 433.558 6.054 50 30 IKEARN Cc1ccc(N2C(=O)S[C@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)cc1 ZINC000020805999 524926404 /nfs/dbraw/zinc/92/64/04/524926404.db2.gz ASEJRRBSOKJNQR-NRFANRHFSA-N 0 0 433.558 6.054 50 30 IKEARN COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(F)cc2)[C@H]3c2ccccc2)cc1 ZINC000012952261 524994838 /nfs/dbraw/zinc/99/48/38/524994838.db2.gz DBZUMVUNZTXCPW-WHNPURCTSA-N 0 0 436.482 7.038 50 30 IKEARN Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1 ZINC000032943459 525041226 /nfs/dbraw/zinc/04/12/26/525041226.db2.gz HRBYBVVWBRVADM-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C2/c3ccccc3NC2=O)C(=O)N1c1ccccc1C ZINC000001750592 525041588 /nfs/dbraw/zinc/04/15/88/525041588.db2.gz FOZMYJZSCDZMOL-IJODWYDQSA-N 0 0 425.513 5.434 50 30 IKEARN Cc1cc(=NN=C2C(=O)Nc3c2cc(F)cc3Br)[nH]c2ccc(Cl)cc12 ZINC000058953916 525043017 /nfs/dbraw/zinc/04/30/17/525043017.db2.gz CFARGESWHRXEKU-UHFFFAOYSA-N 0 0 433.668 5.516 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C#N)cc1C ZINC000033050718 525080069 /nfs/dbraw/zinc/08/00/69/525080069.db2.gz NEMXNQAOHGKEHZ-UHFFFAOYSA-N 0 0 426.545 5.304 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(C)c1 ZINC000021355922 525149095 /nfs/dbraw/zinc/14/90/95/525149095.db2.gz WFQQXUQZBXQPTN-VWLOTQADSA-N 0 0 427.504 6.109 50 30 IKEARN Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1C ZINC000021722289 525151176 /nfs/dbraw/zinc/15/11/76/525151176.db2.gz FCKGNHMEIJGGMQ-RUZDIDTESA-N 0 0 427.504 6.109 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000009856530 525187956 /nfs/dbraw/zinc/18/79/56/525187956.db2.gz PPEDSTPBPBKUJN-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019228587 525218882 /nfs/dbraw/zinc/21/88/82/525218882.db2.gz IOGAFSFTYGVAMK-XMMPIXPASA-N 0 0 431.532 5.043 50 30 IKEARN Cc1ccccc1NC(=NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000006296161 525220136 /nfs/dbraw/zinc/22/01/36/525220136.db2.gz DQPPMEPLKXRNEE-UHFFFAOYSA-N 0 0 429.339 5.005 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccccc3)C2)cc1 ZINC000018324460 525230920 /nfs/dbraw/zinc/23/09/20/525230920.db2.gz CHAKSZGALGQIOW-RBTNQOKQSA-N 0 0 438.527 5.616 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])o2)cc1 ZINC000009089759 525231383 /nfs/dbraw/zinc/23/13/83/525231383.db2.gz VRGBYQUSAQYZMH-IZHWHUGBSA-N 0 0 431.448 5.176 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1OC ZINC000000709953 525232520 /nfs/dbraw/zinc/23/25/20/525232520.db2.gz CCSSORKAWNHSNJ-MYUZEXMDSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1OC ZINC000033324899 525234748 /nfs/dbraw/zinc/23/47/48/525234748.db2.gz BRUBXGKOVGUKFP-NPMXOYFQSA-N 0 0 434.467 5.098 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2cccc(Cl)c2)cc1C ZINC000064874264 525254841 /nfs/dbraw/zinc/25/48/41/525254841.db2.gz GJBWFJYMGUYKTH-HSZRJFAPSA-N 0 0 446.938 5.428 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2)cc1C ZINC000064874269 525254958 /nfs/dbraw/zinc/25/49/58/525254958.db2.gz MRFWWEHVTHVRCV-DEOSSOPVSA-N 0 0 440.547 5.410 50 30 IKEARN Cc1ccccc1NC(=O)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000020418866 525264242 /nfs/dbraw/zinc/26/42/42/525264242.db2.gz BYECETBAQSGJOK-STBIYBPSSA-N 0 0 449.579 7.062 50 30 IKEARN CSC1=N/C(=N\c2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 ZINC000020805785 525342678 /nfs/dbraw/zinc/34/26/78/525342678.db2.gz NFFYEENYLFGDQW-VYIQYICTSA-N 0 0 435.637 6.945 50 30 IKEARN CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C(F)(F)F)c1 ZINC000002348173 525343454 /nfs/dbraw/zinc/34/34/54/525343454.db2.gz DNYKXEIGTZGLEE-HFTWOUSFSA-N 0 0 445.554 7.294 50 30 IKEARN COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000004546627 525346909 /nfs/dbraw/zinc/34/69/09/525346909.db2.gz BDJDWCPJUGITMR-SVBPBHIXSA-N 0 0 439.942 7.166 50 30 IKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000009164652 525393909 /nfs/dbraw/zinc/39/39/09/525393909.db2.gz RSRDBWHPENNCIP-VWLOTQADSA-N 0 0 446.547 5.257 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1OC ZINC000000812848 525398216 /nfs/dbraw/zinc/39/82/16/525398216.db2.gz WDIGNQZYAIJBOV-CLYVBNDRSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1OC ZINC000000812850 525398692 /nfs/dbraw/zinc/39/86/92/525398692.db2.gz KEJCZAYCFMYQRW-XGCWNURASA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1OC ZINC000000709954 525399026 /nfs/dbraw/zinc/39/90/26/525399026.db2.gz CCSSORKAWNHSNJ-CLYVBNDRSA-N 0 0 444.506 5.822 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000001408930 525430194 /nfs/dbraw/zinc/43/01/94/525430194.db2.gz UXXFGVKPOTVQKM-XHCCPWGMSA-N 0 0 426.516 5.683 50 30 IKEARN COc1ccc([C@H]2Nc3ncc(Br)cc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000018244361 525431011 /nfs/dbraw/zinc/43/10/11/525431011.db2.gz RVGOTZRJQBHRCH-LJQANCHMSA-N 0 0 428.330 5.075 50 30 IKEARN COc1ccc([C@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009152919 525439970 /nfs/dbraw/zinc/43/99/70/525439970.db2.gz LWOYRPHWLYYKAS-HXUWFJFHSA-N 0 0 433.939 5.939 50 30 IKEARN Cc1cc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2nc1C ZINC000013574776 525587666 /nfs/dbraw/zinc/58/76/66/525587666.db2.gz NEUCLWACJNRNQV-MDZDMXLPSA-N 0 0 433.558 5.705 50 30 IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O ZINC000002134711 525611293 /nfs/dbraw/zinc/61/12/93/525611293.db2.gz JONRCRQRQIPHPJ-PSHHWHLWSA-N 0 0 444.870 5.883 50 30 biogenic IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]23)cc1 ZINC000257350146 525623654 /nfs/dbraw/zinc/62/36/54/525623654.db2.gz VBLKGSKRRMCRKY-NMLNOWKBSA-N 0 0 444.637 5.681 50 30 IKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C#N ZINC000106920937 525680917 /nfs/dbraw/zinc/68/09/17/525680917.db2.gz GAQZUPXOIGNYKK-RPBOFIJWSA-N 0 0 443.595 5.192 50 30 IKEARN Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/OCc2ccc(Cl)cc2Cl)cc1 ZINC000012338495 525739861 /nfs/dbraw/zinc/73/98/61/525739861.db2.gz LYNJBAONZIQJKE-JVCXMKTPSA-N 0 0 446.337 6.708 50 30 IKEARN Cc1ccc(-c2csc(C(C#N)=NNc3cc(C(F)(F)F)ccc3Cl)n2)c(C)c1 ZINC000009404405 525779702 /nfs/dbraw/zinc/77/97/02/525779702.db2.gz DZPKXATYOCIURL-OGLMXYFKSA-N 0 0 434.874 6.439 50 30 IKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(Cl)c4)nn32)cc1 ZINC000009856495 525793759 /nfs/dbraw/zinc/79/37/59/525793759.db2.gz JOFRKQLKNDNFEO-OAQYLSRUSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000000861115 525860712 /nfs/dbraw/zinc/86/07/12/525860712.db2.gz MBGAFOVYUZEWKC-SIBVEZHUSA-N 0 0 425.488 5.883 50 30 IKEARN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000036556585 525862524 /nfs/dbraw/zinc/86/25/24/525862524.db2.gz OJPIWRXLXMPYGY-GSDHBNRESA-N 0 0 438.527 5.117 50 30 IKEARN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(C)c(C)c3)c2-c2ccccc2)cc1 ZINC000097020875 525892770 /nfs/dbraw/zinc/89/27/70/525892770.db2.gz OODUHXMMNGXGIV-STKMKYKTSA-N 0 0 440.590 8.487 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000253498557 525914217 /nfs/dbraw/zinc/91/42/17/525914217.db2.gz LJQHVTRFOZQNII-ZODQXYEFSA-N 0 0 444.537 6.592 50 30 IKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O ZINC000253499678 525914669 /nfs/dbraw/zinc/91/46/69/525914669.db2.gz OMJIZRMQBBHMOY-LDHKKCCPSA-N 0 0 441.453 7.444 50 30 biogenic IKEARN Cc1c2c(ccc1Cl)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 ZINC000100065325 525932879 /nfs/dbraw/zinc/93/28/79/525932879.db2.gz BVROTRJGTLVYTB-VDKMMFHJSA-N 0 0 445.931 5.779 50 30 IKEARN Cc1ccc(-n2s/c(=N\C(=N/c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000100688835 525939369 /nfs/dbraw/zinc/93/93/69/525939369.db2.gz MMPMPNYEMKILJC-JRJTYQBFSA-N 0 0 446.579 6.588 50 30 IKEARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000020606255 525940518 /nfs/dbraw/zinc/94/05/18/525940518.db2.gz YBSVIYLDKAMQIP-UONOGXRCSA-N 0 0 427.526 5.085 50 30 IKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)o1 ZINC000002437195 525959475 /nfs/dbraw/zinc/95/94/75/525959475.db2.gz YFRWDWMWGHSDOD-ODLFYWEKSA-N 0 0 425.234 5.186 50 30 IKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)o1 ZINC000009215925 525960434 /nfs/dbraw/zinc/96/04/34/525960434.db2.gz ICUSUNFKOGBTJQ-UQQQWYQISA-N 0 0 437.451 6.541 50 30 IKEARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000049574101 525967308 /nfs/dbraw/zinc/96/73/08/525967308.db2.gz HUZVKOFPDNLRPL-QHCPKHFHSA-N 0 0 427.479 5.056 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)cc1Cl ZINC000016267807 525971339 /nfs/dbraw/zinc/97/13/39/525971339.db2.gz UGOFPXFTYRGYPE-XKZIYDEJSA-N 0 0 434.948 6.119 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008904900 525984066 /nfs/dbraw/zinc/98/40/66/525984066.db2.gz POIBZPPLXLSUFL-QFIPXVFZSA-N 0 0 440.524 5.696 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020606203 526022029 /nfs/dbraw/zinc/02/20/29/526022029.db2.gz QMGBBSXTZDGPAP-FQEVSTJZSA-N 0 0 430.331 5.823 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000009472411 526027435 /nfs/dbraw/zinc/02/74/35/526027435.db2.gz CGNMNWIRDOOKSD-QHCPKHFHSA-N 0 0 447.506 5.803 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984363 526030868 /nfs/dbraw/zinc/03/08/68/526030868.db2.gz MVDOBEXCDVUVAC-UHFFFAOYSA-N 0 0 425.456 5.231 50 30 IKEARN CSc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000001130357 526064489 /nfs/dbraw/zinc/06/44/89/526064489.db2.gz KUGQVAHDEZEQDF-OLILMLBXSA-N 0 0 448.591 7.024 50 30 IKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 ZINC000001077207 526077242 /nfs/dbraw/zinc/07/72/42/526077242.db2.gz RBQJCXIQDJZMJG-NFQMXDRXSA-N 0 0 426.585 6.696 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000033656132 526088472 /nfs/dbraw/zinc/08/84/72/526088472.db2.gz YZACCTILOSAOID-LPYMAVHISA-N 0 0 446.532 5.511 50 30 IKEARN Cc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102420069 526098393 /nfs/dbraw/zinc/09/83/93/526098393.db2.gz MOWDTNPKRVQAOK-AFUMVMLFSA-N 0 0 433.305 6.507 50 30 IKEARN Cc1ccc2c(c1)C(N=Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@@H](c1ccccc1)O2 ZINC000031939359 526137368 /nfs/dbraw/zinc/13/73/68/526137368.db2.gz BQQIHSWUTSRNBS-JUEFXSDASA-N 0 0 445.975 7.112 50 30 IKEARN Cc1ccc2c(ccc3c2[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)n1 ZINC000008856935 526222816 /nfs/dbraw/zinc/22/28/16/526222816.db2.gz HEDJFJCLBXRURC-QHCPKHFHSA-N 0 0 437.370 7.051 50 30 IKEARN Cc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1C ZINC000012651185 526226405 /nfs/dbraw/zinc/22/64/05/526226405.db2.gz ITEKVDMCTALISN-UHFFFAOYSA-N 0 0 435.531 6.077 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000036611436 526226995 /nfs/dbraw/zinc/22/69/95/526226995.db2.gz TYYOVFDOHCBDFF-LSHDLFTRSA-N 0 0 449.319 5.621 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000036611452 526227136 /nfs/dbraw/zinc/22/71/36/526227136.db2.gz UWQGHWNIPWWCEW-FOKLQQMPSA-N 0 0 442.928 5.584 50 30 IKEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000036611381 526227258 /nfs/dbraw/zinc/22/72/58/526227258.db2.gz UKLKXFMYMPTYFS-SSDVNMTOSA-N 0 0 428.901 5.276 50 30 IKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CCC2 ZINC000009985198 526233933 /nfs/dbraw/zinc/23/39/33/526233933.db2.gz QBJZSIUZSHMAFI-FQEVSTJZSA-N 0 0 439.606 5.088 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000252591170 526239627 /nfs/dbraw/zinc/23/96/27/526239627.db2.gz AYHFYRCMZUUNLD-KLJDGLGGSA-N 0 0 433.486 5.544 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008427354 526240222 /nfs/dbraw/zinc/24/02/22/526240222.db2.gz ORDAQYJPJNSNSJ-CYXNTTPDSA-N 0 0 433.486 5.418 50 30 IKEARN Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc3)sc2c1 ZINC000002292015 526241089 /nfs/dbraw/zinc/24/10/89/526241089.db2.gz JGGZTQIFLJFANP-UHFFFAOYSA-N 0 0 436.352 6.043 50 30 IKEARN Cc1ccc2nc(C)c(C(=O)/C=C\c3ccc(Br)cc3)c(-c3ccccc3)c2c1 ZINC000022109027 526245101 /nfs/dbraw/zinc/24/51/01/526245101.db2.gz DDDWLUNZOSDSIJ-PTNGSMBKSA-N 0 0 442.356 7.177 50 30 IKEARN Fc1c(F)c(F)c(C=NNc2nc(-c3ccccc3Cl)nc3ccccc32)c(F)c1F ZINC000009463864 526292097 /nfs/dbraw/zinc/29/20/97/526292097.db2.gz STTKSFUFAZDRBD-HIUVJMHLSA-N 0 0 448.782 6.092 50 30 IKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000012428746 526292412 /nfs/dbraw/zinc/29/24/12/526292412.db2.gz LLOJMQJODMHCLP-OAHLVZFQSA-N 0 0 436.714 6.621 50 30 IKEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCc1cn2ccccc2c1C#N ZINC000014728718 526295827 /nfs/dbraw/zinc/29/58/27/526295827.db2.gz BBKKVOMIOPIKSB-ZHACJKMWSA-N 0 0 444.922 5.083 50 30 IKEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cc2ccccc2nc1N1CCCCC1 ZINC000012684787 526314659 /nfs/dbraw/zinc/31/46/59/526314659.db2.gz LYBFHVUFWQIZMB-CCEZHUSRSA-N 0 0 449.558 5.569 50 30 IKEARN Fc1ccc(Oc2ccccc2/C=N/c2ccc(I)cc2)cc1F ZINC000100410975 526359671 /nfs/dbraw/zinc/35/96/71/526359671.db2.gz OQPUNGDWAFCXSJ-FSJBWODESA-N 0 0 435.211 6.112 50 30 IKEARN Oc1ccccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(/N=C/c2ccccc2O)c1 ZINC000001431164 526369641 /nfs/dbraw/zinc/36/96/41/526369641.db2.gz DDSPTHDSXRVZRM-UUYAOZHUSA-N 0 0 446.400 5.878 50 30 IKEARN O=C([O-])c1ccc(NC(NCc2ccc(F)cc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065304893 526372324 /nfs/dbraw/zinc/37/23/24/526372324.db2.gz NAYRNYTZXBACPU-UHFFFAOYSA-N 0 0 435.543 5.298 50 30 IKEARN S=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)NC1CCCCC1 ZINC000004209896 526382910 /nfs/dbraw/zinc/38/29/10/526382910.db2.gz BKTSXTPYMKJTRW-OEAKJJBVSA-N 0 0 446.414 5.159 50 30 IKEARN O=C(O/N=C/c1c(F)cccc1Cl)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000012369617 526412472 /nfs/dbraw/zinc/41/24/72/526412472.db2.gz GZBZSICRMJAYEZ-BHGWPJFGSA-N 0 0 449.221 6.024 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F ZINC000012377406 526431339 /nfs/dbraw/zinc/43/13/39/526431339.db2.gz GJHMSCUNAQONKE-SDHSZQHLSA-N 0 0 437.449 5.249 50 30 IKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccc(Cl)cc1 ZINC000059193632 526438694 /nfs/dbraw/zinc/43/86/94/526438694.db2.gz DMNXPXMPEVSMPT-AFUMVMLFSA-N 0 0 433.920 6.129 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccccc1Cl ZINC000002138089 526440928 /nfs/dbraw/zinc/44/09/28/526440928.db2.gz CCNZNRUGWYXXLW-FMCGGJTJSA-N 0 0 430.843 5.494 50 30 biogenic IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccccc1F ZINC000009158004 526442519 /nfs/dbraw/zinc/44/25/19/526442519.db2.gz QGDIUBPZKNDAOA-JAIQZWGSSA-N 0 0 429.230 5.968 50 30 IKEARN O=C(Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1cccc(Cl)c1 ZINC000001826540 526443981 /nfs/dbraw/zinc/44/39/81/526443981.db2.gz YASOFPVHIKEZKM-LQKURTRISA-N 0 0 429.903 6.935 50 30 IKEARN O=C(Oc1cccc(/C=N/NC(=S)Nc2ccc(F)cc2)c1)c1ccc(Cl)cc1 ZINC000002543950 526444944 /nfs/dbraw/zinc/44/49/44/526444944.db2.gz YVYBPIUTLHNFLL-ZMOGYAJESA-N 0 0 427.888 5.019 50 30 IKEARN N#CCCN1N=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O ZINC000096840105 526461274 /nfs/dbraw/zinc/46/12/74/526461274.db2.gz UJFLGJUBFUBWQV-PLRJNAJWSA-N 0 0 443.510 5.083 50 30 IKEARN N#CCCn1cc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 ZINC000015696737 526466937 /nfs/dbraw/zinc/46/69/37/526466937.db2.gz VLEYJOXJXIIDKX-SJFMBGHLSA-N 0 0 440.572 5.584 50 30 IKEARN N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc21 ZINC000009672548 526468111 /nfs/dbraw/zinc/46/81/11/526468111.db2.gz MATDPNLJRZGZBN-UHFFFAOYSA-N 0 0 433.562 5.185 50 30 IKEARN N#CCOc1cccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1 ZINC000096189954 526474733 /nfs/dbraw/zinc/47/47/33/526474733.db2.gz WAAXOQKMXLZIDV-GDNBJRDFSA-N 0 0 425.922 5.352 50 30 IKEARN N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087870 526479171 /nfs/dbraw/zinc/47/91/71/526479171.db2.gz WQOBGTBLAUDJTC-UHFFFAOYSA-N 0 0 438.272 5.936 50 30 IKEARN N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087840 526480173 /nfs/dbraw/zinc/48/01/73/526480173.db2.gz BMCBOLGEZPLVAB-UHFFFAOYSA-N 0 0 428.266 6.481 50 30 IKEARN N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088239 526480462 /nfs/dbraw/zinc/48/04/62/526480462.db2.gz JYPRTAWBYQSXFG-UHFFFAOYSA-N 0 0 426.275 6.063 50 30 IKEARN N#Cc1c(SCc2ccc(Cl)cc2Cl)noc1-c1ccc(Cl)c(Cl)c1 ZINC000012624548 526530735 /nfs/dbraw/zinc/53/07/35/526530735.db2.gz RECAURBRJZZSAP-UHFFFAOYSA-N 0 0 430.143 7.119 50 30 IKEARN N#Cc1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2c(c1-c1cccs1)CCCC2 ZINC000012369945 526531501 /nfs/dbraw/zinc/53/15/01/526531501.db2.gz HEPGJYZZOPGYKF-UHFFFAOYSA-N 0 0 435.530 5.444 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(-c2cccc(Cl)c2)cc1/C=C/c1ccccc1Cl ZINC000012549803 526534023 /nfs/dbraw/zinc/53/40/23/526534023.db2.gz BSPGTYAIIZHGJS-OUKQBFOZSA-N 0 0 440.333 7.503 50 30 IKEARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000020607088 526612786 /nfs/dbraw/zinc/61/27/86/526612786.db2.gz GVLSWSACVYVIHL-HNNXBMFYSA-N 0 0 436.606 5.850 50 30 IKEARN N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)cc1 ZINC000012808834 526613815 /nfs/dbraw/zinc/61/38/15/526613815.db2.gz CXMSVBYEEFLLKW-UHFFFAOYSA-N 0 0 440.330 5.083 50 30 IKEARN O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000022646483 526617970 /nfs/dbraw/zinc/61/79/70/526617970.db2.gz MVDDQKOQRIVNQZ-UHFFFAOYSA-N 0 0 447.394 6.348 50 30 IKEARN N#Cc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035847422 526631805 /nfs/dbraw/zinc/63/18/05/526631805.db2.gz MRUKUEJMPMLAHN-UHFFFAOYSA-N 0 0 443.403 6.786 50 30 IKEARN O=C(NCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1)C(=O)Nc1ccccc1 ZINC000002964933 526651458 /nfs/dbraw/zinc/65/14/58/526651458.db2.gz VMBNIYOMOHKRJF-WPWMEQJKSA-N 0 0 439.471 5.077 50 30 IKEARN N#Cc1ccc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c(Cl)c1 ZINC000012794743 526671710 /nfs/dbraw/zinc/67/17/10/526671710.db2.gz XYJNGJYSIGEWFF-IBGZPJMESA-N 0 0 445.862 5.308 50 30 IKEARN N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)nc1 ZINC000012748654 526686436 /nfs/dbraw/zinc/68/64/36/526686436.db2.gz XWGVQRKTIPNONQ-UHFFFAOYSA-N 0 0 438.343 5.718 50 30 IKEARN N#Cc1ccccc1/C=N/c1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000008997318 526735589 /nfs/dbraw/zinc/73/55/89/526735589.db2.gz RLYDDSFDQWCGPU-BIZUNTBRSA-N 0 0 443.937 7.844 50 30 IKEARN O=C(NCc1ccccc1)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CCCC2 ZINC000064859671 526736892 /nfs/dbraw/zinc/73/68/92/526736892.db2.gz CRTIXRJWHKMWCH-STBIYBPSSA-N 0 0 440.568 6.166 50 30 in-vitro IKEARN N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012757235 526739074 /nfs/dbraw/zinc/73/90/74/526739074.db2.gz RGKVPMLJMVKWKK-PMACEKPBSA-N 0 0 435.618 5.491 50 30 IKEARN O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652161 526776236 /nfs/dbraw/zinc/77/62/36/526776236.db2.gz FZEASFVXNGYIKW-XMMPIXPASA-N 0 0 447.922 5.823 50 30 IKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccc2c(c1)OCO2 ZINC000020891039 526784366 /nfs/dbraw/zinc/78/43/66/526784366.db2.gz GRZLFDMBLFZHOV-UHFFFAOYSA-N 0 0 449.850 5.379 50 30 IKEARN O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000012652242 526785703 /nfs/dbraw/zinc/78/57/03/526785703.db2.gz CYTHPCXEIGZFQS-MHZLTWQESA-N 0 0 434.495 6.254 50 30 IKEARN N=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cncc2Cl)cc1 ZINC000012369969 526805062 /nfs/dbraw/zinc/80/50/62/526805062.db2.gz RQZMQRSHEZSSES-UHFFFAOYSA-N 0 0 436.682 5.311 50 30 IKEARN N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1cccc(Br)c1 ZINC000016426414 526808264 /nfs/dbraw/zinc/80/82/64/526808264.db2.gz JRRSEONXCRUROK-UHFFFAOYSA-N 0 0 440.322 5.509 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccccc1F ZINC000021722745 526827397 /nfs/dbraw/zinc/82/73/97/526827397.db2.gz XYKHUYOPELAIKK-RUZDIDTESA-N 0 0 447.535 5.506 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cccc(Cl)c1 ZINC000020503311 526827547 /nfs/dbraw/zinc/82/75/47/526827547.db2.gz GVCOSNNIEQJSJB-RUZDIDTESA-N 0 0 447.922 5.552 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(F)cc1 ZINC000020503279 526827754 /nfs/dbraw/zinc/82/77/54/526827754.db2.gz WELQRRHHIWMLIL-VWLOTQADSA-N 0 0 431.467 5.038 50 30 IKEARN NC(=O)C1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000082108626 526829536 /nfs/dbraw/zinc/82/95/36/526829536.db2.gz RFSKSHHWICTXNF-UHFFFAOYSA-N 0 0 448.445 5.177 50 30 IKEARN Clc1cc(Cl)c(N=NC=CNNc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 ZINC000002173442 526927874 /nfs/dbraw/zinc/92/78/74/526927874.db2.gz MKJCDVSPURRUAP-NAFFZOIDSA-N 0 0 444.964 7.103 50 30 IKEARN O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017282215 526940316 /nfs/dbraw/zinc/94/03/16/526940316.db2.gz ZPDZJAANZQTWKI-WELATPIXSA-N 0 0 435.346 6.258 50 30 IKEARN O=C1/C(=C/c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C/c1ccc(F)c(F)c1 ZINC000035229435 526940337 /nfs/dbraw/zinc/94/03/37/526940337.db2.gz PDYHCWPXGVXJJG-NGHQTVFFSA-N 0 0 437.436 5.795 50 30 IKEARN O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000013286234 526942838 /nfs/dbraw/zinc/94/28/38/526942838.db2.gz QPCAXJZBLTYCSM-PFMNSIPKSA-N 0 0 425.513 5.875 50 30 IKEARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1OC(F)F ZINC000102153208 526943966 /nfs/dbraw/zinc/94/39/66/526943966.db2.gz KVECTVBCPWCDFM-UHFFFAOYSA-N 0 0 429.263 5.343 50 30 IKEARN O=C1/C(=C\c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000012376486 526946335 /nfs/dbraw/zinc/94/63/35/526946335.db2.gz NFCGDKANQDHJRW-DBSKITMISA-N 0 0 449.373 6.253 50 30 IKEARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000012376485 526946660 /nfs/dbraw/zinc/94/66/60/526946660.db2.gz ZRWUUPHGWIYMQT-RVOSABIYSA-N 0 0 439.367 6.798 50 30 IKEARN O=C1CCCC2=C1C(c1ccccc1OCc1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000001158348 526966776 /nfs/dbraw/zinc/96/67/76/526966776.db2.gz BMXSMKKJGLFNFJ-UHFFFAOYSA-N 0 0 433.935 5.620 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3F)cc1)Nc1ccc3ccccc3c12 ZINC000002191668 526966814 /nfs/dbraw/zinc/96/68/14/526966814.db2.gz GNCZFYYXNDJFPJ-SSEXGKCCSA-N 0 0 449.525 7.231 50 30 IKEARN Clc1cccc(CN=Nc2nc(NCc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000008872927 526973779 /nfs/dbraw/zinc/97/37/79/526973779.db2.gz XOTSPQNKROTQGN-WGOQTCKBSA-N 0 0 429.915 5.327 50 30 IKEARN Clc1cccc(CO/N=C2/CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)c1 ZINC000012960563 526976787 /nfs/dbraw/zinc/97/67/87/526976787.db2.gz VPHKHSLXZZPMAW-GNVQSUKOSA-N 0 0 426.947 7.055 50 30 IKEARN Cc1nc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C#N)c(C)c1Cl ZINC000012372246 527015510 /nfs/dbraw/zinc/01/55/10/527015510.db2.gz HLCQNQZHBHNWLF-UHFFFAOYSA-N 0 0 435.980 5.545 50 30 IKEARN O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560067 527022508 /nfs/dbraw/zinc/02/25/08/527022508.db2.gz LWURXLAWGAYRRJ-AVRDEDQJSA-N 0 0 443.930 6.137 50 30 IKEARN Cn1c(=O)c(C(=O)/C=C\c2ccc3c(c2)OCO3)c(-c2ccccc2)c2ccc(Cl)cc21 ZINC000096055673 527022557 /nfs/dbraw/zinc/02/25/57/527022557.db2.gz HCDLWPXFBBMRHO-XFFZJAGNSA-N 0 0 443.886 5.484 50 30 IKEARN Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C ZINC000096931256 527022637 /nfs/dbraw/zinc/02/26/37/527022637.db2.gz HFMWTEOTWVTYJJ-ILKVTVQGSA-N 0 0 439.625 5.040 50 30 IKEARN Cn1c(=O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(-c2ccccc2)c2ccc(Cl)cc21 ZINC000079047283 527023554 /nfs/dbraw/zinc/02/35/54/527023554.db2.gz HCDLWPXFBBMRHO-YRNVUSSQSA-N 0 0 443.886 5.484 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2 ZINC000001077006 527023858 /nfs/dbraw/zinc/02/38/58/527023858.db2.gz QEBMURGLDOWRRC-PSLXWICFSA-N 0 0 441.383 7.034 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 ZINC000000970922 527024020 /nfs/dbraw/zinc/02/40/20/527024020.db2.gz CSZDKWFUAMZIAD-SSOJOUAXSA-N 0 0 434.461 6.685 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12 ZINC000000720844 527024235 /nfs/dbraw/zinc/02/42/35/527024235.db2.gz HDMIDZMGSQUFQA-SLQAJWMNSA-N 0 0 446.506 6.031 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Br)cc1)Nc1ccccc1N2 ZINC000001082743 527024572 /nfs/dbraw/zinc/02/45/72/527024572.db2.gz UXDRVWWJZZMUSG-BVZFJXPGSA-N 0 0 445.360 6.429 50 30 IKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc31)Nc1ccccc1N2 ZINC000000861252 527031342 /nfs/dbraw/zinc/03/13/42/527031342.db2.gz SSPBPHSKZQHDGD-XGCWNURASA-N 0 0 439.946 6.801 50 30 IKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2 ZINC000000710780 527032971 /nfs/dbraw/zinc/03/29/71/527032971.db2.gz WUMXPTFQJQQTPD-IQMFZBJNSA-N 0 0 440.490 6.746 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2 ZINC000000970923 527033082 /nfs/dbraw/zinc/03/30/82/527033082.db2.gz CSZDKWFUAMZIAD-CRICUBBOSA-N 0 0 434.461 6.685 50 30 IKEARN O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(Br)s1 ZINC000036245334 527043055 /nfs/dbraw/zinc/04/30/55/527043055.db2.gz HZQUTHQUCZTWHX-YRNVUSSQSA-N 0 0 433.274 5.421 50 30 IKEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000097406733 527043120 /nfs/dbraw/zinc/04/31/20/527043120.db2.gz LTFKDVHRYNOPCR-UCQKPKSFSA-N 0 0 427.504 5.720 50 30 IKEARN O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000057434719 527043562 /nfs/dbraw/zinc/04/35/62/527043562.db2.gz XFRMKSHAOIFRSJ-ZDLGFXPLSA-N 0 0 447.368 6.319 50 30 IKEARN Cn1c2ccc(/N=C/c3ccc([N+](=O)[O-])o3)cc2nc1-c1ccc(Br)s1 ZINC000004543037 527096642 /nfs/dbraw/zinc/09/66/42/527096642.db2.gz DNIMLJASOZSXJX-DJKKODMXSA-N 0 0 431.271 5.316 50 30 IKEARN O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000002246798 527098836 /nfs/dbraw/zinc/09/88/36/527098836.db2.gz XXQXNPFDFHFSKC-LJQANCHMSA-N 0 0 429.701 6.180 50 30 IKEARN O=C(Nc1cc(-c2onc3c2CCCC3)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F ZINC000022670334 527100199 /nfs/dbraw/zinc/10/01/99/527100199.db2.gz SOIMWOIZEKMTMC-UHFFFAOYSA-N 0 0 444.734 5.645 50 30 IKEARN O=C1[C@H](Cc2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002671065 527112165 /nfs/dbraw/zinc/11/21/65/527112165.db2.gz PENRTCCVDAAWQS-NWIBBQCFSA-N 0 0 427.356 6.372 50 30 IKEARN Cc1nc2cc(N=C3SC(=CNc4ccc(C)c(Cl)c4)C(=O)N3C)ccc2s1 ZINC000008927954 527113972 /nfs/dbraw/zinc/11/39/72/527113972.db2.gz GVIKWKVSUOHRSL-KNNUAVEPSA-N 0 0 428.970 5.713 50 30 IKEARN O=C1c2ccc(OCc3ccccc3Cl)cc2O/C1=C\c1ccc(Br)cc1 ZINC000011865056 527122282 /nfs/dbraw/zinc/12/22/82/527122282.db2.gz FOEFCUMPJFKGQO-NHDPSOOVSA-N 0 0 441.708 6.298 50 30 IKEARN O=C1c2ccc(OCc3ccc(Br)cc3)cc2O/C1=C\c1ccc(F)cc1 ZINC000011869307 527123546 /nfs/dbraw/zinc/12/35/46/527123546.db2.gz KYNVTYGRVVIZJL-NHDPSOOVSA-N 0 0 425.253 5.783 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000008992396 527123964 /nfs/dbraw/zinc/12/39/64/527123964.db2.gz MCIVAUJGXHIQNR-JAIQZWGSSA-N 0 0 447.295 5.377 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1ccc(Cl)cc1 ZINC000009420387 527124377 /nfs/dbraw/zinc/12/43/77/527124377.db2.gz BAMTZYJMXSXREB-JAIQZWGSSA-N 0 0 447.295 5.377 50 30 IKEARN O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000002960337 527128163 /nfs/dbraw/zinc/12/81/63/527128163.db2.gz DNXZREIECZYYIM-UHFFFAOYSA-N 0 0 427.258 6.174 50 30 IKEARN O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNc1ccccc1Cl ZINC000020575847 527139199 /nfs/dbraw/zinc/13/91/99/527139199.db2.gz OEJRBTXDUFYFKV-WQRHYEAKSA-N 0 0 448.928 5.027 50 30 IKEARN Cn1cc(/C=C2\S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c2ccccc21 ZINC000013804167 527144480 /nfs/dbraw/zinc/14/44/80/527144480.db2.gz ICRDPCTXTPJWDN-IUXPMGMMSA-N 0 0 435.858 5.742 50 30 IKEARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012756341 527245641 /nfs/dbraw/zinc/24/56/41/527245641.db2.gz QSKZIXYXWMDEDN-UHFFFAOYSA-N 0 0 447.310 5.224 50 30 IKEARN O=[N+]([O-])C(C=Nc1ccc(C2CCCCC2)cc1)=CNc1ccc(C2CCCCC2)cc1 ZINC000004793469 527318788 /nfs/dbraw/zinc/31/87/88/527318788.db2.gz LEOQHCSULHBRTG-PEUXSCJASA-N 0 0 431.580 7.715 50 30 IKEARN O=[N+]([O-])C(C=Nc1ccc(Br)cc1)=CNc1ccc(Br)cc1 ZINC000013635665 527318886 /nfs/dbraw/zinc/31/88/86/527318886.db2.gz WHNDJOZUFLZCIU-MPGSNBGNSA-N 0 0 425.080 5.144 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]23)cc1 ZINC000036380297 527353048 /nfs/dbraw/zinc/35/30/48/527353048.db2.gz LRZMINYCHKGPFT-SZNNIIRLSA-N 0 0 443.503 5.829 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]23)cc1 ZINC000012338456 527353298 /nfs/dbraw/zinc/35/32/98/527353298.db2.gz LRZMINYCHKGPFT-CUNSSONQSA-N 0 0 443.503 5.829 50 30 IKEARN O=[N+]([O-])c1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 ZINC000000659954 527356903 /nfs/dbraw/zinc/35/69/03/527356903.db2.gz YJAKOAMKUVHCJK-WPWMEQJKSA-N 0 0 440.503 5.185 50 30 IKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 ZINC000009296734 527359687 /nfs/dbraw/zinc/35/96/87/527359687.db2.gz YBJZTIUCENMTQN-WSDLNYQXSA-N 0 0 426.816 5.181 50 30 IKEARN O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021722293 527415688 /nfs/dbraw/zinc/41/56/88/527415688.db2.gz RUOFGBLAJCLENB-HSZRJFAPSA-N 0 0 433.895 6.145 50 30 IKEARN O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000021722291 527416030 /nfs/dbraw/zinc/41/60/30/527416030.db2.gz RUOFGBLAJCLENB-QHCPKHFHSA-N 0 0 433.895 6.145 50 30 IKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1)C(F)(F)F ZINC000004199805 527449014 /nfs/dbraw/zinc/44/90/14/527449014.db2.gz WDXYBELJSVHFQV-LRTDBIEQSA-N 0 0 442.393 5.336 50 30 IKEARN O=C(Nc1sc(N=NCc2ccccc2Cl)nc1-c1ccccc1)c1ccccc1 ZINC000013590937 527540646 /nfs/dbraw/zinc/54/06/46/527540646.db2.gz MMKXZSIBWGMIJM-MFKUBSTISA-N 0 0 432.936 6.162 50 30 IKEARN O=C(Nc1sc(N=NCc2ccccc2)nc1-c1ccc(Cl)cc1)c1cccs1 ZINC000016753176 527540671 /nfs/dbraw/zinc/54/06/71/527540671.db2.gz KLKPJYIVLBIENL-YDZHTSKRSA-N 0 0 438.965 6.223 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2 ZINC000003257387 527554167 /nfs/dbraw/zinc/55/41/67/527554167.db2.gz LIJJATIVOPBHET-QHCPKHFHSA-N 0 0 433.467 5.074 50 30 IKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc12 ZINC000012621124 527555815 /nfs/dbraw/zinc/55/58/15/527555815.db2.gz BCRAWWLKBYEBHZ-UHFFFAOYSA-N 0 0 432.574 5.850 50 30 IKEARN Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000012583709 527564940 /nfs/dbraw/zinc/56/49/40/527564940.db2.gz RAPDFXNYVICRSI-NRFANRHFSA-N 0 0 441.428 5.903 50 30 IKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H]([C@@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2 ZINC000012589297 527571907 /nfs/dbraw/zinc/57/19/07/527571907.db2.gz GIVACYCDGIYMJO-OPAMFIHVSA-N 0 0 444.604 6.299 50 30 IKEARN O=C(/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1)c1ccccc1 ZINC000022130543 527590590 /nfs/dbraw/zinc/59/05/90/527590590.db2.gz XAFNWJWTPVDGOJ-RELWKKBWSA-N 0 0 426.541 5.556 50 30 IKEARN O=C(/C(=C/c1c(F)cccc1F)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000012659785 527591444 /nfs/dbraw/zinc/59/14/44/527591444.db2.gz LAMHXVFJKLZVQF-VBKFSLOCSA-N 0 0 439.259 6.027 50 30 IKEARN O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 ZINC000012619719 527591560 /nfs/dbraw/zinc/59/15/60/527591560.db2.gz FJJQMFYEXUTOTN-CPNJWEJPSA-N 0 0 429.426 6.069 50 30 IKEARN O=C(/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000012600767 527591749 /nfs/dbraw/zinc/59/17/49/527591749.db2.gz TXKFZDXZMNXYKN-PLRJNAJWSA-N 0 0 430.507 6.565 50 30 IKEARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000263639857 527602490 /nfs/dbraw/zinc/60/24/90/527602490.db2.gz MJCGIQBSBMWTHX-FPYGCLRLSA-N 0 0 438.833 5.923 50 30 IKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000010272150 527602773 /nfs/dbraw/zinc/60/27/73/527602773.db2.gz PSANPMQSSJDTER-SDNWHVSQSA-N 0 0 425.871 7.304 50 30 IKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000008782025 527604748 /nfs/dbraw/zinc/60/47/48/527604748.db2.gz SEPAHOILTXRJPS-IAGONARPSA-N 0 0 435.292 6.380 50 30 IKEARN O=C(/C=C/c1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000020617681 527605843 /nfs/dbraw/zinc/60/58/43/527605843.db2.gz QBCWNTQANVYTNC-XVNBXDOJSA-N 0 0 434.083 5.214 50 30 IKEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000015979659 527617876 /nfs/dbraw/zinc/61/78/76/527617876.db2.gz ICFWZBMJTGHPOY-MDWZMJQESA-N 0 0 446.396 6.365 50 30 IKEARN O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000009539566 527618199 /nfs/dbraw/zinc/61/81/99/527618199.db2.gz ASEVCKUUHATXDL-SOFGYWHQSA-N 0 0 429.404 5.034 50 30 IKEARN O=C(/C=C/c1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000013954989 527626585 /nfs/dbraw/zinc/62/65/85/527626585.db2.gz IPWLHYSXJOKDFW-ISLYRVAYSA-N 0 0 446.506 6.087 50 30 IKEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1cccc(Cl)c1C ZINC000032972394 527628086 /nfs/dbraw/zinc/62/80/86/527628086.db2.gz JSMONFRBGOMDAA-UHFFFAOYSA-N 0 0 437.975 5.014 50 30 IKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000013653661 527633305 /nfs/dbraw/zinc/63/33/05/527633305.db2.gz NXHQZHWFMNLASK-WSHPORRNSA-N 0 0 447.284 5.684 50 30 IKEARN O=C(/C=C/c1ccccc1F)c1cc(F)ccc1OC(=O)c1ccccc1Br ZINC000009087544 527635544 /nfs/dbraw/zinc/63/55/44/527635544.db2.gz IJBGIDNOIXWFQN-PKNBQFBNSA-N 0 0 443.243 5.843 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1 ZINC000033424227 527646092 /nfs/dbraw/zinc/64/60/92/527646092.db2.gz AHIQZHNJTIRWLG-CCEZHUSRSA-N 0 0 429.317 6.198 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1cccs1 ZINC000012564699 527646339 /nfs/dbraw/zinc/64/63/39/527646339.db2.gz VNZPCJPEJWDQNC-VAWYXSNFSA-N 0 0 435.346 6.259 50 30 IKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000012558319 527646821 /nfs/dbraw/zinc/64/68/21/527646821.db2.gz BXXIGSAQVWQYRB-ISLYRVAYSA-N 0 0 427.507 6.497 50 30 IKEARN O=C(/C=C/c1nc2ccccc2[nH]1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000013641346 527650813 /nfs/dbraw/zinc/65/08/13/527650813.db2.gz SBOKKVUBLNZTCT-OUKQBFOZSA-N 0 0 425.875 5.621 50 30 IKEARN O=C(/C=C\c1ccccc1)c1ccc(Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)cc1 ZINC000097359937 527658224 /nfs/dbraw/zinc/65/82/24/527658224.db2.gz FCMDBCYIDNQJGM-IINORCHSSA-N 0 0 430.503 7.271 50 30 IKEARN FC(F)(F)c1cccc(NN=C2c3ccccc3N=C2SCc2ccccc2Cl)c1 ZINC000012959216 527685872 /nfs/dbraw/zinc/68/58/72/527685872.db2.gz CIRYBPIDMVBQSB-BRPDVVIDSA-N 0 0 445.897 7.152 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000000626976 555513139 /nfs/dbraw/zinc/51/31/39/555513139.db2.gz YGGFGMYIPDTDLB-DEOSSOPVSA-N 0 0 431.532 5.043 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000628599 555513793 /nfs/dbraw/zinc/51/37/93/555513793.db2.gz YHWWFAYHZHMFBP-QHCPKHFHSA-N 0 0 439.939 5.767 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000630117 555514199 /nfs/dbraw/zinc/51/41/99/555514199.db2.gz YWAXPUVZPSJNGK-XRHLQHRESA-N 0 0 440.499 5.403 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000630121 555514224 /nfs/dbraw/zinc/51/42/24/555514224.db2.gz YWAXPUVZPSJNGK-DNOBIOAJSA-N 0 0 440.499 5.403 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000630130 555514621 /nfs/dbraw/zinc/51/46/21/555514621.db2.gz YWAXPUVZPSJNGK-CLYVBNDRSA-N 0 0 440.499 5.403 50 30 IKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000000653970 555524066 /nfs/dbraw/zinc/52/40/66/555524066.db2.gz VBFOZFKPZMPSHO-UHFFFAOYSA-N 0 0 437.580 5.457 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000000654038 555524129 /nfs/dbraw/zinc/52/41/29/555524129.db2.gz SMAQQHDNAMPQGO-NRFANRHFSA-N 0 0 429.497 5.172 50 30 IKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000000672258 555531897 /nfs/dbraw/zinc/53/18/97/555531897.db2.gz KUVCTWBIVUECOM-VKGTZQKMSA-N 0 0 440.543 6.073 50 30 IKEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000000672281 555531931 /nfs/dbraw/zinc/53/19/31/555531931.db2.gz LOHBBIJNKKFBPB-UZTOHYMASA-N 0 0 427.548 6.105 50 30 IKEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000000672277 555531958 /nfs/dbraw/zinc/53/19/58/555531958.db2.gz LOHBBIJNKKFBPB-XHCCPWGMSA-N 0 0 427.548 6.105 50 30 IKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674137 555532737 /nfs/dbraw/zinc/53/27/37/555532737.db2.gz MDSSCXDGYAOCPG-CRICUBBOSA-N 0 0 443.459 5.108 50 30 IKEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000681893 555537694 /nfs/dbraw/zinc/53/76/94/555537694.db2.gz GLQSVDUEQKXPIZ-SSOJOUAXSA-N 0 0 445.906 6.228 50 30 IKEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000000681890 555537721 /nfs/dbraw/zinc/53/77/21/555537721.db2.gz GLQSVDUEQKXPIZ-NSYGIPOTSA-N 0 0 445.906 6.228 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000000688404 555541305 /nfs/dbraw/zinc/54/13/05/555541305.db2.gz GCNGHUCAMXSTCS-NRFANRHFSA-N 0 0 441.453 5.015 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000688809 555541346 /nfs/dbraw/zinc/54/13/46/555541346.db2.gz RBSIDMDQXNRZGZ-QHCPKHFHSA-N 0 0 442.481 6.258 50 30 IKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000000708826 555545769 /nfs/dbraw/zinc/54/57/69/555545769.db2.gz VEMXZDDCIZHGKV-BKMJKUGQSA-N 0 0 443.543 5.044 50 30 biogenic IKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000709480 555546441 /nfs/dbraw/zinc/54/64/41/555546441.db2.gz RATACYVCUKXARC-VWLOTQADSA-N 0 0 444.531 5.570 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000000709539 555546520 /nfs/dbraw/zinc/54/65/20/555546520.db2.gz JQNXMVSIJFLSCI-WTYVLRPYSA-N 0 0 440.543 6.073 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000000709537 555546530 /nfs/dbraw/zinc/54/65/30/555546530.db2.gz JQNXMVSIJFLSCI-PIIWDFAUSA-N 0 0 440.543 6.073 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC ZINC000000709638 555546813 /nfs/dbraw/zinc/54/68/13/555546813.db2.gz YSPATPBMNCXEOI-QYBDOPJKSA-N 0 0 427.504 5.078 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1OC ZINC000000709951 555546834 /nfs/dbraw/zinc/54/68/34/555546834.db2.gz CCSSORKAWNHSNJ-XRHLQHRESA-N 0 0 444.506 5.822 50 30 IKEARN O=c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)oc2ccccc12 ZINC000000711583 555547391 /nfs/dbraw/zinc/54/73/91/555547391.db2.gz KBXAJVANAVAWLX-PVPMGCCUSA-N 0 0 440.524 5.834 50 30 IKEARN Cc1c(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)c(=O)n(-c2ccccc2)n1C ZINC000000711987 555547418 /nfs/dbraw/zinc/54/74/18/555547418.db2.gz KFIGDALUGGHDDJ-ZVHZXABRSA-N 0 0 446.557 5.589 50 30 IKEARN O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)NCCc1ccccc1 ZINC000000712822 555547634 /nfs/dbraw/zinc/54/76/34/555547634.db2.gz VABQBJFUZNLOKJ-CVKSISIWSA-N 0 0 447.585 5.204 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000000717036 555548871 /nfs/dbraw/zinc/54/88/71/555548871.db2.gz RFBYMWAFDRFDDM-VBKZILBWSA-N 0 0 447.478 5.302 50 30 IKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O ZINC000000720495 555549762 /nfs/dbraw/zinc/54/97/62/555549762.db2.gz ALLHTRHSEXYSHK-AKJBCIBTSA-N 0 0 446.934 6.034 50 30 IKEARN CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000000720756 555549942 /nfs/dbraw/zinc/54/99/42/555549942.db2.gz ZHVJSRZXIJMSLS-HSZRJFAPSA-N 0 0 440.971 6.283 50 30 IKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000721238 555550156 /nfs/dbraw/zinc/55/01/56/555550156.db2.gz QMPAZLQZGXTCEK-PLDZGXPLSA-N 0 0 425.484 5.186 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000000723972 555550780 /nfs/dbraw/zinc/55/07/80/555550780.db2.gz RPEXZPCNTZUVJG-FQEVSTJZSA-N 0 0 439.346 5.910 50 30 IKEARN CCc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000726683 555551564 /nfs/dbraw/zinc/55/15/64/555551564.db2.gz ZTFTZLTWCFXRRA-VWLOTQADSA-N 0 0 429.560 5.596 50 30 IKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000000781129 555555028 /nfs/dbraw/zinc/55/50/28/555555028.db2.gz COCBLBSQRYDPIB-CLYVBNDRSA-N 0 0 426.516 5.683 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781242 555555171 /nfs/dbraw/zinc/55/51/71/555555171.db2.gz CTKAJFWUYWTFMS-MZNJEOGPSA-N 0 0 449.572 5.301 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781283 555555219 /nfs/dbraw/zinc/55/52/19/555555219.db2.gz VNTBBYYGWZQXCW-HXOBKFHXSA-N 0 0 437.561 5.015 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781298 555555241 /nfs/dbraw/zinc/55/52/41/555555241.db2.gz CYRJXPPPAOQGQD-UZUQRXQVSA-N 0 0 439.552 5.448 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000781254 555555289 /nfs/dbraw/zinc/55/52/89/555555289.db2.gz LNQPVILKDZBTBG-ZHRRBRCNSA-N 0 0 425.525 5.200 50 30 IKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 ZINC000000805507 555560015 /nfs/dbraw/zinc/56/00/15/555560015.db2.gz BFLSOFSVIURLKS-PIIWDFAUSA-N 0 0 440.543 6.073 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000000808700 555560278 /nfs/dbraw/zinc/56/02/78/555560278.db2.gz RYGONUJZKYOZNN-NGOKVRLYSA-N 0 0 440.543 6.073 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000000808705 555560297 /nfs/dbraw/zinc/56/02/97/555560297.db2.gz RYGONUJZKYOZNN-WTYVLRPYSA-N 0 0 440.543 6.073 50 30 IKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000000808702 555560320 /nfs/dbraw/zinc/56/03/20/555560320.db2.gz RYGONUJZKYOZNN-PIIWDFAUSA-N 0 0 440.543 6.073 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000811229 555560640 /nfs/dbraw/zinc/56/06/40/555560640.db2.gz ZYVPCBFLZWXWBQ-LVXARBLLSA-N 0 0 444.575 5.066 50 30 IKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O ZINC000000815828 555562107 /nfs/dbraw/zinc/56/21/07/555562107.db2.gz MMOUQZPPZBBYDD-PPHZAIPVSA-N 0 0 426.516 5.689 50 30 IKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000822770 555564535 /nfs/dbraw/zinc/56/45/35/555564535.db2.gz URHCQHNCKYUNEI-CYFREDJKSA-N 0 0 435.951 5.653 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000000844129 555568406 /nfs/dbraw/zinc/56/84/06/555568406.db2.gz SJNPZJQFLYAIKK-SBUREZEXSA-N 0 0 439.914 5.404 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000000853748 555570820 /nfs/dbraw/zinc/57/08/20/555570820.db2.gz WYHRPDDRWYVJSZ-LVXARBLLSA-N 0 0 445.559 5.399 50 30 IKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000861012 555572080 /nfs/dbraw/zinc/57/20/80/555572080.db2.gz CCILKLKMVFVRRU-QFIPXVFZSA-N 0 0 425.916 6.087 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2F)cc1 ZINC000000883137 555578122 /nfs/dbraw/zinc/57/81/22/555578122.db2.gz LBODXLCIFUOJRU-QMTYFTJSSA-N 0 0 432.470 5.953 50 30 IKEARN Cc1ccc2occ([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccccc3)C4)c(=O)c2c1 ZINC000000883189 555578155 /nfs/dbraw/zinc/57/81/55/555578155.db2.gz WJFKHABEGSLKLN-HMILPKGGSA-N 0 0 448.522 6.081 50 30 biogenic IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1OC ZINC000000883390 555578406 /nfs/dbraw/zinc/57/84/06/555578406.db2.gz BXJTUGWLCUHXTK-VKGTZQKMSA-N 0 0 440.543 5.992 50 30 IKEARN COc1cccc([C@@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000893673 555580007 /nfs/dbraw/zinc/58/00/07/555580007.db2.gz IQINLGKEWVTTPJ-QYBDOPJKSA-N 0 0 430.935 6.328 50 30 IKEARN COc1cccc([C@@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000893668 555580068 /nfs/dbraw/zinc/58/00/68/555580068.db2.gz IQINLGKEWVTTPJ-DWXRJYCRSA-N 0 0 430.935 6.328 50 30 IKEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000974029 555592114 /nfs/dbraw/zinc/59/21/14/555592114.db2.gz CAUZOPUGFBYSMU-WOJGMQOQSA-N 0 0 425.853 5.400 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Br)s1)Nc1ccc3ccccc3c12 ZINC000000986071 555594859 /nfs/dbraw/zinc/59/48/59/555594859.db2.gz FFLJNLXJFDIMCN-QFIPXVFZSA-N 0 0 438.390 6.973 50 30 IKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1 ZINC000000986589 555595064 /nfs/dbraw/zinc/59/50/64/555595064.db2.gz ZTASUGYKTPNPGU-NIYFSFCBSA-N 0 0 442.584 6.305 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccccc1F ZINC000000994272 555598001 /nfs/dbraw/zinc/59/80/01/555598001.db2.gz IDEJIUWRQXBXJY-HXUWFJFHSA-N 0 0 432.417 5.531 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\c1ccc(C)cc1 ZINC000000996750 555598694 /nfs/dbraw/zinc/59/86/94/555598694.db2.gz CAUZIJFGNYRKKO-LECRTAGSSA-N 0 0 447.482 5.160 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(C)C)cc1 ZINC000001001569 555600121 /nfs/dbraw/zinc/60/01/21/555600121.db2.gz NIHKSWNBESYGTQ-WNMDNWPKSA-N 0 0 449.620 6.080 50 30 IKEARN Cc1ccc(-c2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1 ZINC000001000914 555600215 /nfs/dbraw/zinc/60/02/15/555600215.db2.gz KVSCTYHKDTWJRZ-UHFFFAOYSA-N 0 0 437.421 5.679 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2Cl)nc1 ZINC000001010067 555601660 /nfs/dbraw/zinc/60/16/60/555601660.db2.gz AZLOQVQAYLALKF-HXUWFJFHSA-N 0 0 442.346 5.303 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001022099 555603644 /nfs/dbraw/zinc/60/36/44/555603644.db2.gz JMIPJZLQDGJHKC-NFQMXDRXSA-N 0 0 442.559 5.319 50 30 IKEARN Clc1ccc2nc(-c3ccco3)c(/N=C/c3ccc(I)cc3)n2c1 ZINC000001030037 555605610 /nfs/dbraw/zinc/60/56/10/555605610.db2.gz OBOPCDCUKFZRLP-UFFVCSGVSA-N 0 0 447.663 5.603 50 30 IKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1cccc([N+](=O)[O-])c1 ZINC000001042692 555610301 /nfs/dbraw/zinc/61/03/01/555610301.db2.gz QCJVGYXXCQENKL-ZVBGSRNCSA-N 0 0 435.223 5.448 50 30 IKEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000001046306 555610790 /nfs/dbraw/zinc/61/07/90/555610790.db2.gz VOBNOMJLKJIYCY-ISKFKSNPSA-N 0 0 438.445 6.178 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)sc1C ZINC000001052642 555613561 /nfs/dbraw/zinc/61/35/61/555613561.db2.gz WJIPRCZVZIFPFJ-HXUWFJFHSA-N 0 0 430.485 5.289 50 30 IKEARN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000001095454 555627842 /nfs/dbraw/zinc/62/78/42/555627842.db2.gz DVUCCWMTUFHVLB-OGLMXYFKSA-N 0 0 444.604 5.493 50 30 IKEARN O=C1CCCC2=C1C(c1ccc(OCc3ccccc3Cl)cc1)C1=C(CCCC1=O)N2 ZINC000001095394 555627893 /nfs/dbraw/zinc/62/78/93/555627893.db2.gz BBKWKDXGHYDVOY-UHFFFAOYSA-N 0 0 433.935 5.620 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000001130162 555643922 /nfs/dbraw/zinc/64/39/22/555643922.db2.gz SAXCBFNQTZAPLH-NTKDMRAZSA-N 0 0 433.573 5.333 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000001132705 555645406 /nfs/dbraw/zinc/64/54/06/555645406.db2.gz VQXJVTIPWUYNDX-NRFANRHFSA-N 0 0 445.321 5.739 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1 ZINC000001155931 555658617 /nfs/dbraw/zinc/65/86/17/555658617.db2.gz GAPWZHICPGVRHT-DEOSSOPVSA-N 0 0 447.531 5.027 50 30 IKEARN O=C1CCCC2=C1C(c1ccc(O)c(Cl)c1)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000001156538 555658953 /nfs/dbraw/zinc/65/89/53/555658953.db2.gz OBJVLORQHHIDIO-UHFFFAOYSA-N 0 0 433.935 5.659 50 30 IKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1 ZINC000001156394 555658958 /nfs/dbraw/zinc/65/89/58/555658958.db2.gz MZYPCAYGYBXGOQ-UHFFFAOYSA-N 0 0 448.490 5.541 50 30 IKEARN CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc(F)cc2)C2=C1CCCC2=O ZINC000001156575 555659240 /nfs/dbraw/zinc/65/92/40/555659240.db2.gz IBXHWAXPRLFMNL-UHFFFAOYSA-N 0 0 445.534 5.838 50 30 IKEARN O=C1CCCC2=C1C(c1ccc(OCc3cccc4ccccc43)cc1)C1=C(CCCC1=O)N2 ZINC000001156771 555659287 /nfs/dbraw/zinc/65/92/87/555659287.db2.gz KCZNNUASQFIQHW-UHFFFAOYSA-N 0 0 449.550 6.120 50 30 IKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000001158224 555660204 /nfs/dbraw/zinc/66/02/04/555660204.db2.gz XFDNYZLPXAHAAD-UHFFFAOYSA-N 0 0 428.956 6.139 50 30 IKEARN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1 ZINC000001161321 555661968 /nfs/dbraw/zinc/66/19/68/555661968.db2.gz XUVJPNHBJGODLS-UHFFFAOYSA-N 0 0 437.264 5.630 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc(Br)cc1 ZINC000001173374 555668142 /nfs/dbraw/zinc/66/81/42/555668142.db2.gz BICWBKMWXBHNKD-QHCPKHFHSA-N 0 0 433.349 6.307 50 30 IKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000001175440 555669440 /nfs/dbraw/zinc/66/94/40/555669440.db2.gz ABSKUYHPUOTOHA-LJQANCHMSA-N 0 0 432.467 5.374 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001184510 555673372 /nfs/dbraw/zinc/67/33/72/555673372.db2.gz XWIKZAASTVWJOU-KKSFZXQISA-N 0 0 427.591 5.370 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000001201886 555678790 /nfs/dbraw/zinc/67/87/90/555678790.db2.gz NICAULMNTWUNIH-OYHNWAKOSA-N 0 0 442.342 5.528 50 30 IKEARN Cn1cccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)Cc1ccccc1 ZINC000001201652 555678798 /nfs/dbraw/zinc/67/87/98/555678798.db2.gz LSQGSDDXGORWJA-MHZLTWQESA-N 0 0 439.559 5.411 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl ZINC000001201889 555678817 /nfs/dbraw/zinc/67/88/17/555678817.db2.gz NICAULMNTWUNIH-NYHFZMIOSA-N 0 0 442.342 5.528 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001202581 555679074 /nfs/dbraw/zinc/67/90/74/555679074.db2.gz VAHSKKMELNMDEV-UQBPGWFLSA-N 0 0 433.523 5.387 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001204428 555679950 /nfs/dbraw/zinc/67/99/50/555679950.db2.gz LMWOXDKLWIKHDC-XTXDOFFSSA-N 0 0 429.447 5.017 50 30 IKEARN COc1cc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000001215705 555683953 /nfs/dbraw/zinc/68/39/53/555683953.db2.gz ZCEACTMKSLSULO-UZTOHYMASA-N 0 0 426.516 5.689 50 30 IKEARN COc1cc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000001215701 555683976 /nfs/dbraw/zinc/68/39/76/555683976.db2.gz ZCEACTMKSLSULO-XHCCPWGMSA-N 0 0 426.516 5.689 50 30 IKEARN Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001216814 555684234 /nfs/dbraw/zinc/68/42/34/555684234.db2.gz XLAHUQIIMZNDHU-NIYFSFCBSA-N 0 0 425.488 5.883 50 30 IKEARN COc1cc(OC)c([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001264573 555688333 /nfs/dbraw/zinc/68/83/33/555688333.db2.gz YPADTQSWVQUGSH-VWLOTQADSA-N 0 0 436.552 5.551 50 30 IKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000001409136 555693968 /nfs/dbraw/zinc/69/39/68/555693968.db2.gz JQTIPGOKXZTPEI-HFJWLAOPSA-N 0 0 430.935 6.328 50 30 IKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000001413462 555694724 /nfs/dbraw/zinc/69/47/24/555694724.db2.gz DEQPEHJGLWNOEA-QFIPXVFZSA-N 0 0 446.503 5.190 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000001428428 555696128 /nfs/dbraw/zinc/69/61/28/555696128.db2.gz OQKTUFQUZMLROU-LJQANCHMSA-N 0 0 431.344 5.758 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000001428427 555696277 /nfs/dbraw/zinc/69/62/77/555696277.db2.gz OQKTUFQUZMLROU-IBGZPJMESA-N 0 0 431.344 5.758 50 30 IKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2 ZINC000001445917 555698682 /nfs/dbraw/zinc/69/86/82/555698682.db2.gz ZFRJQLJGTOIGFV-WXTAPIANSA-N 0 0 435.479 6.120 50 30 IKEARN Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001445386 555698744 /nfs/dbraw/zinc/69/87/44/555698744.db2.gz QDJOTKIJRDKOTD-OAQYLSRUSA-N 0 0 448.862 5.340 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1 ZINC000001457561 555700208 /nfs/dbraw/zinc/70/02/08/555700208.db2.gz SZKORZTXWSYTIG-PPHZAIPVSA-N 0 0 428.507 6.122 50 30 IKEARN CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1 ZINC000001459245 555700245 /nfs/dbraw/zinc/70/02/45/555700245.db2.gz AWCFAQPUAJPTMI-XHCCPWGMSA-N 0 0 427.523 5.871 50 30 IKEARN CCCc1ccc(O)c(/N=C/c2c(O)c(OC)cc(Br)c2Br)c1 ZINC000001507192 555702121 /nfs/dbraw/zinc/70/21/21/555702121.db2.gz OBEGQUWVJWSQOA-AWQFTUOYSA-N 0 0 443.135 5.335 50 30 IKEARN COc1cc(Br)cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000001513952 555702461 /nfs/dbraw/zinc/70/24/61/555702461.db2.gz XGSXFNAQDLYQFS-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000001764019 555712659 /nfs/dbraw/zinc/71/26/59/555712659.db2.gz GYFJFORLMLPDHU-NRFANRHFSA-N 0 0 443.981 5.481 50 30 IKEARN Brc1cccc(-c2nc3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)c1 ZINC000001924074 555725107 /nfs/dbraw/zinc/72/51/07/555725107.db2.gz PKDUHMHSMTVTIK-MGTGSMBQSA-N 0 0 447.288 6.402 50 30 IKEARN Oc1cc(/N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1 ZINC000002052785 555729486 /nfs/dbraw/zinc/72/94/86/555729486.db2.gz VZVIXTXZGMNUNK-UMKNWRDPSA-N 0 0 425.340 7.391 50 30 IKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000002053271 555729617 /nfs/dbraw/zinc/72/96/17/555729617.db2.gz AJWQMYBKWREWSE-ZMOGYAJESA-N 0 0 437.293 6.112 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000002055130 555730375 /nfs/dbraw/zinc/73/03/75/555730375.db2.gz MZGLMJVWCWYORV-FQEVSTJZSA-N 0 0 448.390 6.083 50 30 IKEARN CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000002062826 555732501 /nfs/dbraw/zinc/73/25/01/555732501.db2.gz BHCUKCAOAFYBRT-UHFFFAOYSA-N 0 0 448.346 6.311 50 30 IKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O ZINC000002062842 555732524 /nfs/dbraw/zinc/73/25/24/555732524.db2.gz XEAWJRMTQCYSMO-UHFFFAOYSA-N 0 0 441.955 6.438 50 30 IKEARN CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cc(C)ccc1C ZINC000002063010 555732813 /nfs/dbraw/zinc/73/28/13/555732813.db2.gz UNKKJBDEJJMDBC-UHFFFAOYSA-N 0 0 434.580 6.031 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Br)Nc1ccc3ccccc3c12 ZINC000002071142 555734768 /nfs/dbraw/zinc/73/47/68/555734768.db2.gz MHUMJMPOTSSEDX-DEOSSOPVSA-N 0 0 432.361 6.912 50 30 IKEARN O=P(/C(=N\c1ccc(Cl)cc1)N1CCCCC1)(N1CCCCC1)N1CCCCC1 ZINC000002072550 555735086 /nfs/dbraw/zinc/73/50/86/555735086.db2.gz WTPPPBXALHACPX-GYHWCHFESA-N 0 0 436.968 5.978 50 30 IKEARN C=CCN1c2ccccc2/C(=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)C1=O ZINC000002073902 555735344 /nfs/dbraw/zinc/73/53/44/555735344.db2.gz BXXRDAYKUQBRGG-YZYICMKNSA-N 0 0 437.524 5.398 50 30 IKEARN CN1C(=O)C(=C(c2ccccc2)c2ccccc2)C(C(=O)c2ccccc2)=C1c1ccccc1 ZINC000002077843 555735991 /nfs/dbraw/zinc/73/59/91/555735991.db2.gz AIFHJMVROBNUNS-UHFFFAOYSA-N 0 0 441.530 6.255 50 30 IKEARN CCc1ccccc1/N=C1\S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC ZINC000002084018 555739171 /nfs/dbraw/zinc/73/91/71/555739171.db2.gz FAEGEQUQYWQHDI-LMTJQJACSA-N 0 0 444.556 6.031 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000002084846 555739737 /nfs/dbraw/zinc/73/97/37/555739737.db2.gz PIYTUXFPRDSHRQ-PNTLFUMMSA-N 0 0 428.557 6.434 50 30 IKEARN Cc1ccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002115827 555744892 /nfs/dbraw/zinc/74/48/92/555744892.db2.gz FZULDKKSHIFTIT-UHFFFAOYSA-N 0 0 427.573 5.582 50 30 IKEARN S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002122608 555745571 /nfs/dbraw/zinc/74/55/71/555745571.db2.gz DCWAWJOUIVROSI-WSECFMCKSA-N 0 0 432.552 6.759 50 30 IKEARN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002128506 555745914 /nfs/dbraw/zinc/74/59/14/555745914.db2.gz GWJRFJYXWFNIAX-VHEBQXMUSA-N 0 0 425.915 7.608 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)c1ccccc1)[C@@H]2c1ccccc1 ZINC000002151192 555749671 /nfs/dbraw/zinc/74/96/71/555749671.db2.gz UKNIOFICYOMGDJ-RUZDIDTESA-N 0 0 448.566 5.987 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 ZINC000002175076 555752459 /nfs/dbraw/zinc/75/24/59/555752459.db2.gz VCUUGNMDCWTESF-GOESLVMASA-N 0 0 448.519 5.647 50 30 IKEARN C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)c1ccccc1 ZINC000002181384 555754011 /nfs/dbraw/zinc/75/40/11/555754011.db2.gz CUNJYZJOJJYKJT-JOBSNELWSA-N 0 0 449.576 6.156 50 30 IKEARN CC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000002199713 555757215 /nfs/dbraw/zinc/75/72/15/555757215.db2.gz VBQVKXRTWMFEIQ-NRFANRHFSA-N 0 0 443.981 5.481 50 30 IKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)cc2Cl)Nc2ccccc2C)n1 ZINC000002241914 555761440 /nfs/dbraw/zinc/76/14/40/555761440.db2.gz BJZMZSLYFMSXGG-UHFFFAOYSA-N 0 0 443.338 5.630 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000002242909 555761480 /nfs/dbraw/zinc/76/14/80/555761480.db2.gz IBUCDDIHJKAJBX-OAQYLSRUSA-N 0 0 444.428 5.451 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 ZINC000002269071 555764049 /nfs/dbraw/zinc/76/40/49/555764049.db2.gz UXLQBWYTNXBIJY-JAIQZWGSSA-N 0 0 443.355 6.762 50 30 IKEARN Cc1cccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)c1 ZINC000002268723 555764095 /nfs/dbraw/zinc/76/40/95/555764095.db2.gz VCAYEQHYTFUKNF-UHFFFAOYSA-N 0 0 443.338 5.630 50 30 IKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2C)n1 ZINC000002267025 555764152 /nfs/dbraw/zinc/76/41/52/555764152.db2.gz OVZQPZXYUJYFEX-UHFFFAOYSA-N 0 0 443.338 5.630 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1Br ZINC000002330267 555769173 /nfs/dbraw/zinc/76/91/73/555769173.db2.gz BBKJJLUHLPKHEC-UFWORHAWSA-N 0 0 428.142 5.185 50 30 IKEARN COc1ccc(NC(=S)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000002531184 555786184 /nfs/dbraw/zinc/78/61/84/555786184.db2.gz HNAOVVCCUJDMKX-ZVHZXABRSA-N 0 0 425.941 5.248 50 30 IKEARN COc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000002531229 555786187 /nfs/dbraw/zinc/78/61/87/555786187.db2.gz JHYGDRPMURPOIA-ZVHZXABRSA-N 0 0 431.989 5.058 50 30 IKEARN CC(C)(C)OC(=O)CCc1ccc(Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000002561988 555787674 /nfs/dbraw/zinc/78/76/74/555787674.db2.gz UQKBETVWHPVAEO-UHFFFAOYSA-N 0 0 437.355 6.280 50 30 IKEARN CCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc21 ZINC000002577101 555788585 /nfs/dbraw/zinc/78/85/85/555788585.db2.gz OMTFFGPMJCAISY-UHFFFAOYSA-N 0 0 440.381 7.100 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002727238 555803148 /nfs/dbraw/zinc/80/31/48/555803148.db2.gz IYEJGRKWWBTDBZ-QHCPKHFHSA-N 0 0 441.999 6.210 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000002755325 555810798 /nfs/dbraw/zinc/81/07/98/555810798.db2.gz NDYYYUREJCRBGO-SANMLTNESA-N 0 0 427.544 5.807 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000002755402 555811245 /nfs/dbraw/zinc/81/12/45/555811245.db2.gz GXWXXHPJFWRBGO-VWLOTQADSA-N 0 0 447.600 5.618 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(CC)cc1 ZINC000002757375 555811466 /nfs/dbraw/zinc/81/14/66/555811466.db2.gz LROSTCZLJWODRG-ATIYNZHBSA-N 0 0 429.560 5.564 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000002757847 555811498 /nfs/dbraw/zinc/81/14/98/555811498.db2.gz RWXTWGDPYNQHNG-SQJMNOBHSA-N 0 0 447.600 5.345 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000002757459 555811542 /nfs/dbraw/zinc/81/15/42/555811542.db2.gz OSFRPGYLCHUTNC-IBGZPJMESA-N 0 0 432.358 5.006 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000002762220 555813158 /nfs/dbraw/zinc/81/31/58/555813158.db2.gz GQGIMMCFOKBJSU-OYHNWAKOSA-N 0 0 425.525 5.202 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000002762219 555813168 /nfs/dbraw/zinc/81/31/68/555813168.db2.gz GQGIMMCFOKBJSU-NYHFZMIOSA-N 0 0 425.525 5.202 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc21 ZINC000002775337 555817547 /nfs/dbraw/zinc/81/75/47/555817547.db2.gz HTRMGPQTKYBQEC-XMMPIXPASA-N 0 0 449.616 5.740 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002776594 555818091 /nfs/dbraw/zinc/81/80/91/555818091.db2.gz KCSGEJZYQBOPNT-HXUWFJFHSA-N 0 0 434.001 5.240 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000002776232 555818114 /nfs/dbraw/zinc/81/81/14/555818114.db2.gz BJAQRJZBQYOTIL-CLOONOSVSA-N 0 0 449.522 5.149 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000002776593 555818132 /nfs/dbraw/zinc/81/81/32/555818132.db2.gz KCSGEJZYQBOPNT-FQEVSTJZSA-N 0 0 434.001 5.240 50 30 IKEARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000002788650 555821380 /nfs/dbraw/zinc/82/13/80/555821380.db2.gz ZYTGHOYEGAMYNS-QHCPKHFHSA-N 0 0 425.544 5.696 50 30 IKEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)n1 ZINC000034713653 555826953 /nfs/dbraw/zinc/82/69/53/555826953.db2.gz ADVXBFUTHFCIMI-UHFFFAOYSA-N 0 0 437.323 5.751 50 30 IKEARN CCOc1ccc(Br)c(/C=C2\N=C(SCc3ccccc3)SC2=O)c1 ZINC000002823499 555830445 /nfs/dbraw/zinc/83/04/45/555830445.db2.gz MLKALOKQZRDVPS-BOPFTXTBSA-N 0 0 434.380 5.752 50 30 IKEARN CCCCN1C2=C(C(=O)c3ccccc32)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000002826397 555830973 /nfs/dbraw/zinc/83/09/73/555830973.db2.gz BCYMOPRIXVTDCA-JOCHJYFZSA-N 0 0 428.488 5.409 50 30 IKEARN CN(C)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1 ZINC000002832095 555832025 /nfs/dbraw/zinc/83/20/25/555832025.db2.gz LTPFCLBRAINGDI-RWRHWQIFSA-N 0 0 446.598 6.987 50 30 IKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000002865483 555847087 /nfs/dbraw/zinc/84/70/87/555847087.db2.gz NBBHMJXMRLARDM-IIBYNOLFSA-N 0 0 439.342 6.363 50 30 IKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000002865482 555847096 /nfs/dbraw/zinc/84/70/96/555847096.db2.gz NBBHMJXMRLARDM-IERDGZPVSA-N 0 0 439.342 6.363 50 30 IKEARN N#C[C@@]1(c2cc(Br)ccc2OCc2ccccc2)CCC(=O)N1c1ccccc1 ZINC000002871368 555850015 /nfs/dbraw/zinc/85/00/15/555850015.db2.gz KZYOIJKSCMSKOW-XMMPIXPASA-N 0 0 447.332 5.574 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 ZINC000002894308 555860270 /nfs/dbraw/zinc/86/02/70/555860270.db2.gz MZFAGHRXVPACTI-FQEVSTJZSA-N 0 0 432.358 5.150 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 ZINC000002927016 555863663 /nfs/dbraw/zinc/86/36/63/555863663.db2.gz BACMQGSHIULFSS-NLFFAJNJSA-N 0 0 431.532 5.010 50 30 IKEARN O=C1CCCC2=C1C(c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)O2 ZINC000002998968 555877349 /nfs/dbraw/zinc/87/73/49/555877349.db2.gz NAECMYYOGYWGJP-UHFFFAOYSA-N 0 0 445.471 5.302 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000003014376 555880338 /nfs/dbraw/zinc/88/03/38/555880338.db2.gz UCDDJSZWJIRBHU-FQEVSTJZSA-N 0 0 446.385 5.396 50 30 IKEARN COc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000003087774 555885145 /nfs/dbraw/zinc/88/51/45/555885145.db2.gz YGQQELAQLXVNGQ-ZMOGYAJESA-N 0 0 437.362 6.793 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC ZINC000003094439 555885753 /nfs/dbraw/zinc/88/57/53/555885753.db2.gz NLLFPOVFGPSXNB-QFIPXVFZSA-N 0 0 441.568 5.041 50 30 IKEARN O=C(NC(=O)c1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003119920 555889075 /nfs/dbraw/zinc/88/90/75/555889075.db2.gz RYYAOVVVGGRASX-UHFFFAOYSA-N 0 0 444.253 5.705 50 30 IKEARN CCCCCCC#Cc1cncc(-c2nnc(SCc3cc(F)cc(F)c3)n2C)c1 ZINC000003138225 555891184 /nfs/dbraw/zinc/89/11/84/555891184.db2.gz SHPFNRBKTRDLCB-UHFFFAOYSA-N 0 0 426.536 5.770 50 30 IKEARN CCCCCCCC(=O)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003147791 555892042 /nfs/dbraw/zinc/89/20/42/555892042.db2.gz SJZMFSKESUOBNN-OAHLLOKOSA-N 0 0 445.612 6.001 50 30 IKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000003176817 555894462 /nfs/dbraw/zinc/89/44/62/555894462.db2.gz VMZONVWPTOGZEA-SDHSZQHLSA-N 0 0 435.914 5.624 50 30 IKEARN COc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000034857106 555924579 /nfs/dbraw/zinc/92/45/79/555924579.db2.gz FQCSLIXWCLOGMS-IWIPYMOSSA-N 0 0 444.556 5.783 50 30 IKEARN COc1ccc(/C=C\C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)cc1OC ZINC000034897620 555927919 /nfs/dbraw/zinc/92/79/19/555927919.db2.gz TVHUKQMPMAEWIL-QBFSEMIESA-N 0 0 432.907 5.651 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cccs1 ZINC000003639478 555942793 /nfs/dbraw/zinc/94/27/93/555942793.db2.gz AISMWPYDQOWCRL-FYSMJZIKSA-N 0 0 437.561 5.072 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1 ZINC000003639567 555943109 /nfs/dbraw/zinc/94/31/09/555943109.db2.gz XGTVBDHKQSNKBC-CJAUYULYSA-N 0 0 449.522 5.149 50 30 IKEARN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(C)cc3C)c2-c2ccccc2)cc1 ZINC000003665943 555945053 /nfs/dbraw/zinc/94/50/53/555945053.db2.gz QRFXJRPXECQHFE-STKMKYKTSA-N 0 0 440.590 8.487 50 30 IKEARN CCOc1ccc2cc(/C=C/C(=O)c3c4ccccc4cc4ccccc43)c(Cl)nc2c1 ZINC000004018212 555953121 /nfs/dbraw/zinc/95/31/21/555953121.db2.gz WLTUYJLAJXFZAF-WYMLVPIESA-N 0 0 437.926 7.489 50 30 IKEARN Cc1cc2c(cc1C)N[C@H](c1coc3ccc(Cl)cc3c1=O)C1=C(CC(C)(C)CC1=O)N2 ZINC000004047478 555955542 /nfs/dbraw/zinc/95/55/42/555955542.db2.gz SAMOLXWGCCRQHP-XMMPIXPASA-N 0 0 448.950 6.285 50 30 IKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000004048129 555955578 /nfs/dbraw/zinc/95/55/78/555955578.db2.gz AHURIOZKCVUFMA-MYUZEXMDSA-N 0 0 444.962 6.718 50 30 IKEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004047867 555955608 /nfs/dbraw/zinc/95/56/08/555955608.db2.gz UXBLMKHKNIFXDS-XHCCPWGMSA-N 0 0 443.978 6.386 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004060362 555956185 /nfs/dbraw/zinc/95/61/85/555956185.db2.gz NEPCHUHGUTUJFW-DFBJGRDBSA-N 0 0 431.532 5.010 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004061090 555956499 /nfs/dbraw/zinc/95/64/99/555956499.db2.gz XZEHBYKROOPHBY-XMMPIXPASA-N 0 0 437.580 5.565 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004060365 555956574 /nfs/dbraw/zinc/95/65/74/555956574.db2.gz NEPCHUHGUTUJFW-CLOONOSVSA-N 0 0 431.532 5.010 50 30 IKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004060372 555956593 /nfs/dbraw/zinc/95/65/93/555956593.db2.gz KXTDPSFRKVEGGC-IBVKSMDESA-N 0 0 445.559 5.400 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1 ZINC000004064908 555957082 /nfs/dbraw/zinc/95/70/82/555957082.db2.gz MXFDBTUHCCBVNF-MYUZEXMDSA-N 0 0 426.516 5.683 50 30 IKEARN CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)ccc21 ZINC000004062268 555957146 /nfs/dbraw/zinc/95/71/46/555957146.db2.gz YINWYWNTGNNZFR-MUUNZHRXSA-N 0 0 435.571 7.036 50 30 IKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000004064184 555957157 /nfs/dbraw/zinc/95/71/57/555957157.db2.gz TWRWTRGHSIGDHC-VWLOTQADSA-N 0 0 431.532 5.187 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1 ZINC000004064679 555957169 /nfs/dbraw/zinc/95/71/69/555957169.db2.gz GTAYUCKXHAMCRM-JHOBJCJYSA-N 0 0 446.550 6.828 50 30 IKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004065167 555957470 /nfs/dbraw/zinc/95/74/70/555957470.db2.gz DYIZXSBIONMLTR-HFJWLAOPSA-N 0 0 447.003 7.041 50 30 IKEARN CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004065492 555957486 /nfs/dbraw/zinc/95/74/86/555957486.db2.gz FEAIPHNAYUBJNB-ONOMSOESSA-N 0 0 438.571 6.845 50 30 IKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000004065124 555957490 /nfs/dbraw/zinc/95/74/90/555957490.db2.gz HFWYMXXBUFGSLR-WINIVTDRSA-N 0 0 444.962 6.718 50 30 IKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000004067210 555957747 /nfs/dbraw/zinc/95/77/47/555957747.db2.gz AVJGPYYMGUTUTI-AREMUKBSSA-N 0 0 445.559 5.229 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004067281 555957797 /nfs/dbraw/zinc/95/77/97/555957797.db2.gz OUFAUOJWDOVOML-VWLOTQADSA-N 0 0 445.559 5.221 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000004077984 555958400 /nfs/dbraw/zinc/95/84/00/555958400.db2.gz NNEXSNHINRWDGU-CPJLOUKISA-N 0 0 435.354 6.973 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2 ZINC000004080050 555958914 /nfs/dbraw/zinc/95/89/14/555958914.db2.gz IENZLPCPVYGBNZ-PUAOIOHZSA-N 0 0 435.354 6.973 50 30 IKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)s1 ZINC000004083617 555959223 /nfs/dbraw/zinc/95/92/23/555959223.db2.gz PZWAYNKZLXUSCB-MRDQGFSESA-N 0 0 430.573 6.299 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 ZINC000004082961 555959257 /nfs/dbraw/zinc/95/92/57/555959257.db2.gz ODDZZRWZCIJQFO-VVFBEHOQSA-N 0 0 442.562 7.333 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2 ZINC000004082976 555959325 /nfs/dbraw/zinc/95/93/25/555959325.db2.gz ODDZZRWZCIJQFO-OOWIMERYSA-N 0 0 442.562 7.333 50 30 IKEARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000004098966 555962216 /nfs/dbraw/zinc/96/22/16/555962216.db2.gz QQODLKZGRKWIFG-QSFXBCCZSA-N 0 0 434.294 6.317 50 30 in-man IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 ZINC000004115232 555963712 /nfs/dbraw/zinc/96/37/12/555963712.db2.gz RTTVSPBXTUERDY-QFIPXVFZSA-N 0 0 427.610 5.149 50 30 IKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1)C(F)(F)F ZINC000004199802 555975611 /nfs/dbraw/zinc/97/56/11/555975611.db2.gz WDXYBELJSVHFQV-ZSEKCTLFSA-N 0 0 442.393 5.336 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000004576314 556002223 /nfs/dbraw/zinc/00/22/23/556002223.db2.gz YEWBUPCTTJGMFX-MWTRTKDXSA-N 0 0 425.550 5.210 50 30 IKEARN C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 ZINC000006014663 556072175 /nfs/dbraw/zinc/07/21/75/556072175.db2.gz AKOOWZMDMWNBHZ-FSGOGVSDSA-N 0 0 435.483 5.865 50 30 IKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006078514 556075239 /nfs/dbraw/zinc/07/52/39/556075239.db2.gz LWLJPUIMQDIKSN-RUZDIDTESA-N 0 0 449.639 5.149 50 30 IKEARN CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000006078101 556075358 /nfs/dbraw/zinc/07/53/58/556075358.db2.gz VTFLLRAXIIQIHX-AREMUKBSSA-N 0 0 448.563 5.647 50 30 IKEARN CCOC(=O)[C@H](CC)Sc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000006134513 556076795 /nfs/dbraw/zinc/07/67/95/556076795.db2.gz CNRZJMLGILQIBC-QHCPKHFHSA-N 0 0 432.545 5.730 50 30 IKEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000006142117 556076952 /nfs/dbraw/zinc/07/69/52/556076952.db2.gz VTVZBJAINPBAPU-NWCNHZITSA-N 0 0 449.963 5.663 50 30 IKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000006444477 556088019 /nfs/dbraw/zinc/08/80/19/556088019.db2.gz NRGKGSOUFUEMBN-QHCPKHFHSA-N 0 0 445.519 5.146 50 30 IKEARN CCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1 ZINC000006573770 556095199 /nfs/dbraw/zinc/09/51/99/556095199.db2.gz VQLDWEOTGXGYEB-WJDWOHSUSA-N 0 0 434.380 5.752 50 30 IKEARN C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 ZINC000002728294 556133553 /nfs/dbraw/zinc/13/35/53/556133553.db2.gz FGWAHUJFZHMURR-DJUDNFEDSA-N 0 0 434.348 5.140 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1C(C(F)(F)F)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 ZINC000002732266 556134837 /nfs/dbraw/zinc/13/48/37/556134837.db2.gz VSJPGDCKSZNWBP-OAHLLOKOSA-N 0 0 439.224 5.299 50 30 IKEARN CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)s1 ZINC000002806474 556142158 /nfs/dbraw/zinc/14/21/58/556142158.db2.gz ALZDYDWECKTLBB-HNNXBMFYSA-N 0 0 438.862 5.270 50 30 IKEARN C(=N/c1ccccc1-c1ccccc1/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 ZINC000002842720 556147826 /nfs/dbraw/zinc/14/78/26/556147826.db2.gz INKPLVJDBHSKHE-ZXHXELASSA-N 0 0 438.534 7.817 50 30 IKEARN COc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c(OC)c1 ZINC000002843290 556147841 /nfs/dbraw/zinc/14/78/41/556147841.db2.gz ZYQTWHMXXRYSCY-YSURURNPSA-N 0 0 426.847 6.250 50 30 IKEARN Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000002896775 556149457 /nfs/dbraw/zinc/14/94/57/556149457.db2.gz QLFZTTVZCORTTE-DFJXIDDLSA-N 0 0 437.724 7.326 50 30 IKEARN C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 ZINC000002954942 556150956 /nfs/dbraw/zinc/15/09/56/556150956.db2.gz KDMBWUVJIVBDCL-JCMHNJIXSA-N 0 0 434.586 5.280 50 30 IKEARN C=CCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2 ZINC000002953661 556151856 /nfs/dbraw/zinc/15/18/56/556151856.db2.gz ALRWAECTFNLIQW-UHFFFAOYSA-N 0 0 428.557 5.531 50 30 IKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000008384115 556160064 /nfs/dbraw/zinc/16/00/64/556160064.db2.gz HUXPANHDIQORGD-JOCHJYFZSA-N 0 0 448.544 5.101 50 30 IKEARN Cc1sc(N=NCc2ccc(OC(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1 ZINC000008384700 556160533 /nfs/dbraw/zinc/16/05/33/556160533.db2.gz ZZGTUTLCECXOMB-CVKSISIWSA-N 0 0 431.492 5.923 50 30 IKEARN COc1ccc(/C(C)=N/N=c2/scc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000008385602 556161431 /nfs/dbraw/zinc/16/14/31/556161431.db2.gz RBDSDDFEIBTPGD-MEESDTILSA-N 0 0 429.545 5.548 50 30 IKEARN CCn1c2cc(C)c(C)cc2nc1/N=C/c1c2c(cc(C(C)(C)C)c1O)oc1c2CCCC1 ZINC000008387131 556162491 /nfs/dbraw/zinc/16/24/91/556162491.db2.gz DWPZGMQPYAXYQM-WKULSOCRSA-N 0 0 443.591 7.052 50 30 IKEARN CC(=N/OC(=O)C12CC3CC(CC(C3)C1)C2)/C(C)=N\OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008395908 556163080 /nfs/dbraw/zinc/16/30/80/556163080.db2.gz DIGAZVHUSLZPCJ-USYBVIFISA-N 0 0 440.584 5.257 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000008396030 556163267 /nfs/dbraw/zinc/16/32/67/556163267.db2.gz NAPOFXOYNJXIQX-LMTJQJACSA-N 0 0 444.556 6.216 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000008396084 556163320 /nfs/dbraw/zinc/16/33/20/556163320.db2.gz XYYLBIODGXJWHQ-BLEOTABNSA-N 0 0 426.585 7.235 50 30 IKEARN CSc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 ZINC000008396338 556163595 /nfs/dbraw/zinc/16/35/95/556163595.db2.gz OPLJQUSNFAWQNM-JTUXUYRKSA-N 0 0 430.598 6.834 50 30 IKEARN CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C ZINC000008398559 556164738 /nfs/dbraw/zinc/16/47/38/556164738.db2.gz IOASURKICNNIIS-UHFFFAOYSA-N 0 0 436.666 5.482 50 30 IKEARN COc1ccc(/N=C(/N2CCCCC2)[P@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1 ZINC000008399050 556165053 /nfs/dbraw/zinc/16/50/53/556165053.db2.gz CVZBIJNKNBIRMM-QFOSEXNQSA-N 0 0 448.592 5.966 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000008400083 556165592 /nfs/dbraw/zinc/16/55/92/556165592.db2.gz GAIDUIGUDXJTBM-UHFFFAOYSA-N 0 0 431.705 7.960 50 30 IKEARN CC[C@H](C)Oc1c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cccc1OC ZINC000008400448 556165852 /nfs/dbraw/zinc/16/58/52/556165852.db2.gz LNIFIALKAWDNAG-JEOORSMKSA-N 0 0 440.565 5.123 50 30 IKEARN COCCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S/C1=N\c1ccccc1 ZINC000008400395 556165917 /nfs/dbraw/zinc/16/59/17/556165917.db2.gz JNZDVOKXDPDMSP-CMXCFCNKSA-N 0 0 436.558 5.681 50 30 IKEARN CCCCCCCCCCSCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000008407548 556166757 /nfs/dbraw/zinc/16/67/57/556166757.db2.gz NVFYTCNNXSUOOS-UHFFFAOYSA-N 0 0 429.420 6.049 50 30 IKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413059 556167438 /nfs/dbraw/zinc/16/74/38/556167438.db2.gz SUPVQWYACMXLIM-JOCHJYFZSA-N 0 0 443.572 5.539 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000008424517 556167916 /nfs/dbraw/zinc/16/79/16/556167916.db2.gz RNUUUNQDFWLRLC-WBUAKJRLSA-N 0 0 436.920 5.863 50 30 IKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000008426805 556169331 /nfs/dbraw/zinc/16/93/31/556169331.db2.gz VTAUTJAZIHITQQ-AREMUKBSSA-N 0 0 445.559 5.229 50 30 IKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000008430428 556170249 /nfs/dbraw/zinc/17/02/49/556170249.db2.gz OMNIURFCWDFEAJ-HFJWLAOPSA-N 0 0 430.573 6.516 50 30 IKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2 ZINC000008430516 556170447 /nfs/dbraw/zinc/17/04/47/556170447.db2.gz PNGNWPJWZXHUKW-ZAMGYDSWSA-N 0 0 441.383 7.034 50 30 IKEARN CCCCCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=O ZINC000008431329 556170798 /nfs/dbraw/zinc/17/07/98/556170798.db2.gz UTFLUDCMCRNPOL-QOCHGBHMSA-N 0 0 427.589 5.087 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008431451 556171045 /nfs/dbraw/zinc/17/10/45/556171045.db2.gz CNNWALFBTGPNRD-VWLOTQADSA-N 0 0 447.535 5.928 50 30 IKEARN COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000008432764 556172026 /nfs/dbraw/zinc/17/20/26/556172026.db2.gz PMVJDQLSLSKLIK-NUGSKGIGSA-N 0 0 446.315 5.678 50 30 IKEARN CCCCCCCCCCCCCCCCNC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C ZINC000008433216 556172704 /nfs/dbraw/zinc/17/27/04/556172704.db2.gz FWTXLNDFQLJULY-SXOMAYOGSA-N 0 0 433.677 6.548 50 30 IKEARN CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000008435116 556173092 /nfs/dbraw/zinc/17/30/92/556173092.db2.gz ZVAWYBZJGZAZBX-CSKARUKUSA-N 0 0 431.388 6.266 50 30 IKEARN N#C[C@H]1CC(c2ccc(Br)cc2)=NN1c1c(F)c(F)c(Cl)c(F)c1F ZINC000008436872 556173330 /nfs/dbraw/zinc/17/33/30/556173330.db2.gz YAKPJLAZXNJRPL-SECBINFHSA-N 0 0 432.602 5.165 50 30 IKEARN COc1cc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000008437026 556173664 /nfs/dbraw/zinc/17/36/64/556173664.db2.gz BNCCOTVXLZZPAN-PDGQHHTCSA-N 0 0 449.890 5.931 50 30 IKEARN COc1cc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000008437020 556173721 /nfs/dbraw/zinc/17/37/21/556173721.db2.gz XGLXGSZNGFDZKV-UYRXBGFRSA-N 0 0 429.472 5.586 50 30 IKEARN C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O ZINC000008438753 556174920 /nfs/dbraw/zinc/17/49/20/556174920.db2.gz JACQLCOQEXLMCM-TVBXNAKKSA-N 0 0 448.588 6.066 50 30 IKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000008438703 556174956 /nfs/dbraw/zinc/17/49/56/556174956.db2.gz VSLOTBYHIRQVRY-DEOSSOPVSA-N 0 0 440.474 5.128 50 30 IKEARN COc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1 ZINC000008439128 556175282 /nfs/dbraw/zinc/17/52/82/556175282.db2.gz QYZCSPNUINRXON-YYDJUVGSSA-N 0 0 449.553 5.054 50 30 IKEARN Cc1cccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008439455 556175894 /nfs/dbraw/zinc/17/58/94/556175894.db2.gz FVDDBMFLRLHQSM-RUZDIDTESA-N 0 0 445.559 5.221 50 30 IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000008440205 556176174 /nfs/dbraw/zinc/17/61/74/556176174.db2.gz WTPSFZPLVCHCAL-OAQYLSRUSA-N 0 0 447.560 5.370 50 30 IKEARN COc1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 ZINC000008451618 556182219 /nfs/dbraw/zinc/18/22/19/556182219.db2.gz YQOVKDKXADMPFV-FRODBLILSA-N 0 0 436.533 5.361 50 30 IKEARN CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000008452358 556182752 /nfs/dbraw/zinc/18/27/52/556182752.db2.gz OBPBUAWGQFZUQD-HBAVDNSESA-N 0 0 435.332 5.404 50 30 IKEARN O=C(NC1CCC1)ON(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC000008616520 556192643 /nfs/dbraw/zinc/19/26/43/556192643.db2.gz RDURQVXEFIAGRI-UHFFFAOYSA-N 0 0 446.391 5.920 50 30 IKEARN C=C1S/C(=N\c2cccc(OC)c2)N(C(=O)[C@H](c2ccccc2)C2CCCC2)C1(C)C ZINC000008616826 556192909 /nfs/dbraw/zinc/19/29/09/556192909.db2.gz RAMYAZFESKGKCS-YXTXPOHNSA-N 0 0 434.605 6.524 50 30 IKEARN O=C1c2ccccc2C(=O)C1=C1[C@H](c2cccs2)C(c2ccccc2)=NN1c1ccccc1 ZINC000008636740 556194753 /nfs/dbraw/zinc/19/47/53/556194753.db2.gz WMKKIFTVEITJDE-HSZRJFAPSA-N 0 0 446.531 6.090 50 30 IKEARN O=C1CS/C(=N\N=C\c2ccccc2Cl)N1c1cc(C(F)(F)F)ccc1Cl ZINC000008648108 556195966 /nfs/dbraw/zinc/19/59/66/556195966.db2.gz PHRZYKPHQMOAKZ-NTZNHWLHSA-N 0 0 432.254 5.482 50 30 IKEARN N=C(Nc1cccc(Cl)c1)SCc1ccc(/C=C/c2c(F)cccc2Cl)cc1 ZINC000008648126 556195971 /nfs/dbraw/zinc/19/59/71/556195971.db2.gz FJRLLHIMCVPUPX-VAWYXSNFSA-N 0 0 431.363 7.183 50 30 IKEARN COc1ccc(/C=N/NC(=S)N[C@H]2C[C@H](C)CC(C)(C)C2)cc1OCc1ccccc1 ZINC000008648731 556196226 /nfs/dbraw/zinc/19/62/26/556196226.db2.gz JZZUWEHFCXEDNH-FRFFOONESA-N 0 0 439.625 5.287 50 30 IKEARN O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000008715662 556201985 /nfs/dbraw/zinc/20/19/85/556201985.db2.gz FACFRSNELMLMHL-FQEVSTJZSA-N 0 0 440.337 5.360 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008739494 556205832 /nfs/dbraw/zinc/20/58/32/556205832.db2.gz XSNZQLRHBCSYNV-HXUWFJFHSA-N 0 0 432.545 5.532 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008739880 556205913 /nfs/dbraw/zinc/20/59/13/556205913.db2.gz YLLYBCVDOLFYLA-FQEVSTJZSA-N 0 0 434.517 5.022 50 30 IKEARN Cc1cccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000008741900 556207365 /nfs/dbraw/zinc/20/73/65/556207365.db2.gz ZRCJIXRZXOCBDR-OZSVZHKOSA-N 0 0 429.545 5.468 50 30 IKEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008742399 556207411 /nfs/dbraw/zinc/20/74/11/556207411.db2.gz QWEUJZVWVIGFFA-GOSISDBHSA-N 0 0 445.327 5.228 50 30 IKEARN O=C(/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000008742118 556207432 /nfs/dbraw/zinc/20/74/32/556207432.db2.gz PPDRQVRXHGAUNP-WJDWOHSUSA-N 0 0 439.216 6.651 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008743751 556208081 /nfs/dbraw/zinc/20/80/81/556208081.db2.gz BYVTVBKHZVAONA-OMHSXHNCSA-N 0 0 429.903 5.831 50 30 IKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008743986 556208470 /nfs/dbraw/zinc/20/84/70/556208470.db2.gz ALZYLWKJWLFBPC-QFIPXVFZSA-N 0 0 446.503 5.072 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)c1=O ZINC000097474804 556216700 /nfs/dbraw/zinc/21/67/00/556216700.db2.gz XKBBATJYPCVQNT-TWGQIWQCSA-N 0 0 426.232 5.156 50 30 IKEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2cccc(Cl)c2Cl)c1=O ZINC000097474807 556216751 /nfs/dbraw/zinc/21/67/51/556216751.db2.gz VIYIJBDAHBFZCU-TWGQIWQCSA-N 0 0 427.125 5.444 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000008837428 556226118 /nfs/dbraw/zinc/22/61/18/556226118.db2.gz BXFAFNUBDSUWKZ-RUZDIDTESA-N 0 0 448.478 5.657 50 30 IKEARN CCN(CC)c1ccc(/C=C(/C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 ZINC000008871990 556229953 /nfs/dbraw/zinc/22/99/53/556229953.db2.gz QMWPTFQSFOYQBC-NKFKGCMQSA-N 0 0 426.516 6.106 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Br)s1 ZINC000008915864 556232436 /nfs/dbraw/zinc/23/24/36/556232436.db2.gz VFLMLKZQKXIGEF-QFIPXVFZSA-N 0 0 438.390 6.864 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(C)[nH]c5ccccc54)c3c2C1 ZINC000008970234 556237570 /nfs/dbraw/zinc/23/75/70/556237570.db2.gz HFPUONVHCJBZDV-UVHCEKQDSA-N 0 0 431.609 6.468 50 30 IKEARN CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1 ZINC000008974626 556237885 /nfs/dbraw/zinc/23/78/85/556237885.db2.gz RKAPRONBLMDNBI-WHLCRQNOSA-N 0 0 440.543 6.073 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000008973180 556237893 /nfs/dbraw/zinc/23/78/93/556237893.db2.gz LGCLOXHLFLSDOV-HOYKHHGWSA-N 0 0 437.926 6.035 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009008884 556240557 /nfs/dbraw/zinc/24/05/57/556240557.db2.gz VJTJLCNHVVRRIN-DEOSSOPVSA-N 0 0 429.476 6.077 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009019284 556241160 /nfs/dbraw/zinc/24/11/60/556241160.db2.gz JGSXFYJLSDWPHZ-BFFNPARHSA-N 0 0 440.455 5.086 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1OC ZINC000009087752 556245494 /nfs/dbraw/zinc/24/54/94/556245494.db2.gz QFAIFCOJESFSFW-JOCHJYFZSA-N 0 0 449.890 5.140 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])o2)cc1 ZINC000009089758 556246170 /nfs/dbraw/zinc/24/61/70/556246170.db2.gz VRGBYQUSAQYZMH-MYYSRTQBSA-N 0 0 431.448 5.176 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009110022 556247468 /nfs/dbraw/zinc/24/74/68/556247468.db2.gz KDWXDVAGMJZEAF-OAQYLSRUSA-N 0 0 448.316 5.540 50 30 IKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009240500 556266395 /nfs/dbraw/zinc/26/63/95/556266395.db2.gz SLTINVFCIDBTMO-QFIPXVFZSA-N 0 0 446.890 5.083 50 30 IKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000009261315 556268973 /nfs/dbraw/zinc/26/89/73/556268973.db2.gz ILSDVUZNYNMNMF-FYJGNVAPSA-N 0 0 438.911 5.950 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000009261293 556269019 /nfs/dbraw/zinc/26/90/19/556269019.db2.gz HEJKRQGKQJHNKF-BUVRLJJBSA-N 0 0 441.531 6.278 50 30 IKEARN CCOc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(Br)c1O ZINC000009261627 556269301 /nfs/dbraw/zinc/26/93/01/556269301.db2.gz RVHQNEPKYOKCAR-ZVHZXABRSA-N 0 0 442.309 6.105 50 30 IKEARN C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC ZINC000009262682 556269840 /nfs/dbraw/zinc/26/98/40/556269840.db2.gz WJTZZHGBNMLVGF-FSJBWODESA-N 0 0 431.355 5.585 50 30 IKEARN COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)C1CCCCC1 ZINC000009264185 556270460 /nfs/dbraw/zinc/27/04/60/556270460.db2.gz GDZACYRSGQJUCA-SANMLTNESA-N 0 0 430.548 5.782 50 30 IKEARN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000009264370 556270499 /nfs/dbraw/zinc/27/04/99/556270499.db2.gz IZHRCDYDYOIOKV-CPJLOUKISA-N 0 0 440.455 5.680 50 30 IKEARN CCOc1cc(/C=N/c2ccc(Oc3cccc(OC)c3)nc2)cc(Br)c1O ZINC000009265344 556270653 /nfs/dbraw/zinc/27/06/53/556270653.db2.gz JDURTNPJEIHQEB-FSJBWODESA-N 0 0 443.297 5.500 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccccc1 ZINC000009311191 556279218 /nfs/dbraw/zinc/27/92/18/556279218.db2.gz NLBJQHHYGLQKQU-IWIPYMOSSA-N 0 0 444.556 5.783 50 30 IKEARN C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1Br ZINC000009311193 556279257 /nfs/dbraw/zinc/27/92/57/556279257.db2.gz HTWDKOKPNSLZLS-UNOMPAQXSA-N 0 0 443.366 5.522 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@H]2c1ccc(F)cc1 ZINC000009315375 556280497 /nfs/dbraw/zinc/28/04/97/556280497.db2.gz QBBPTIJQORIYBA-SANMLTNESA-N 0 0 440.518 6.279 50 30 IKEARN Brc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000009327382 556281965 /nfs/dbraw/zinc/28/19/65/556281965.db2.gz XOUQSRHXIBPNOD-BUVRLJJBSA-N 0 0 430.309 5.414 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009331516 556282683 /nfs/dbraw/zinc/28/26/83/556282683.db2.gz NVADBJPISFMYEC-FQEVSTJZSA-N 0 0 434.835 5.031 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)s1 ZINC000009358497 556285365 /nfs/dbraw/zinc/28/53/65/556285365.db2.gz MPJRONGLSGYPDW-UBKPWBPPSA-N 0 0 434.171 5.247 50 30 IKEARN O=C(/C=C/c1c(F)cccc1Cl)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000013712961 556285379 /nfs/dbraw/zinc/28/53/79/556285379.db2.gz VFQDPWUHNVOCHI-ZRDIBKRKSA-N 0 0 438.285 6.537 50 30 IKEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000009370625 556286140 /nfs/dbraw/zinc/28/61/40/556286140.db2.gz RVFGCCQXPBNYMV-OAQYLSRUSA-N 0 0 448.316 5.228 50 30 IKEARN COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)ccc1O ZINC000009434050 556291589 /nfs/dbraw/zinc/29/15/89/556291589.db2.gz SQEHLXZIOVCQDW-SANMLTNESA-N 0 0 440.499 5.218 50 30 IKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009472363 556293489 /nfs/dbraw/zinc/29/34/89/556293489.db2.gz NAAMDRMAMWKSHD-HSZRJFAPSA-N 0 0 449.478 5.294 50 30 IKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C ZINC000009482475 556294183 /nfs/dbraw/zinc/29/41/83/556294183.db2.gz YBSFSPPJDDCCAC-RUZDIDTESA-N 0 0 434.584 5.452 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)Nc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC000009482800 556294222 /nfs/dbraw/zinc/29/42/22/556294222.db2.gz XTWVDJOJCIAWDK-XMMPIXPASA-N 0 0 438.531 5.930 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2[C@H]1CC=CCC1 ZINC000009483177 556294288 /nfs/dbraw/zinc/29/42/88/556294288.db2.gz SBXTZUYFCSRDJV-DCFHFQCYSA-N 0 0 447.623 5.299 50 30 IKEARN CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl ZINC000009504839 556295834 /nfs/dbraw/zinc/29/58/34/556295834.db2.gz VFAGDEBNSOPEPN-FQEVSTJZSA-N 0 0 437.971 5.632 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000009546506 556297394 /nfs/dbraw/zinc/29/73/94/556297394.db2.gz JBTUOHMTNWAOJK-HFJWLAOPSA-N 0 0 439.490 5.600 50 30 IKEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3F)C12 ZINC000009546528 556297686 /nfs/dbraw/zinc/29/76/86/556297686.db2.gz ASXJGZULURUIJB-LMKMVOKYSA-N 0 0 443.909 6.245 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000013750688 556299007 /nfs/dbraw/zinc/29/90/07/556299007.db2.gz CFTVGFJHCXEYDF-MLKPGFSBSA-N 0 0 445.588 5.873 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O ZINC000013750690 556299036 /nfs/dbraw/zinc/29/90/36/556299036.db2.gz CFTVGFJHCXEYDF-UVQVWFEYSA-N 0 0 445.588 5.873 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000009560024 556299154 /nfs/dbraw/zinc/29/91/54/556299154.db2.gz XNQSIZHVUSNFFG-DZGCQCFKSA-N 0 0 446.330 5.015 50 30 IKEARN CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1O ZINC000009560080 556299480 /nfs/dbraw/zinc/29/94/80/556299480.db2.gz YDFSVUSOZNKRKV-DZGCQCFKSA-N 0 0 446.330 5.102 50 30 IKEARN CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1O ZINC000009560078 556299490 /nfs/dbraw/zinc/29/94/90/556299490.db2.gz YDFSVUSOZNKRKV-UKRRQHHQSA-N 0 0 446.330 5.102 50 30 IKEARN O=C1C[C@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000009560032 556299518 /nfs/dbraw/zinc/29/95/18/556299518.db2.gz ZUWADTXKBCRFAB-XJKSGUPXSA-N 0 0 430.729 5.107 50 30 IKEARN CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1 ZINC000013756999 556300793 /nfs/dbraw/zinc/30/07/93/556300793.db2.gz OVIZWAHKNZVBBT-VYVDHXHBSA-N 0 0 446.623 5.104 50 30 IKEARN Cc1cc(C)c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c(C)c1 ZINC000013756747 556300801 /nfs/dbraw/zinc/30/08/01/556300801.db2.gz LMNYAEDMGOPRQL-GQCRFCPSSA-N 0 0 443.594 7.718 50 30 IKEARN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000013757033 556300821 /nfs/dbraw/zinc/30/08/21/556300821.db2.gz KFLRDOVYKKZXMY-ZMOGYAJESA-N 0 0 437.728 6.159 50 30 IKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 ZINC000009678759 556305933 /nfs/dbraw/zinc/30/59/33/556305933.db2.gz VUZDVWRSUQXVCN-PZGXJGMVSA-N 0 0 438.571 6.763 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000009761098 556308221 /nfs/dbraw/zinc/30/82/21/556308221.db2.gz YBFSTPPEBNMJNU-CYXNTTPDSA-N 0 0 433.486 5.418 50 30 IKEARN Cc1ccc(/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000003073128 556308498 /nfs/dbraw/zinc/30/84/98/556308498.db2.gz VXFPMAXBOPZQSN-RWPZCVJISA-N 0 0 434.322 7.425 50 30 IKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc1 ZINC000009805264 556308957 /nfs/dbraw/zinc/30/89/57/556308957.db2.gz DLMCFGIKAGDIIT-ONOMSOESSA-N 0 0 438.571 6.762 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)c1 ZINC000009845858 556313075 /nfs/dbraw/zinc/31/30/75/556313075.db2.gz RREZBSKKLMEWGZ-UCQKPKSFSA-N 0 0 432.520 5.913 50 30 IKEARN COc1ccc(Br)cc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 ZINC000009861053 556314334 /nfs/dbraw/zinc/31/43/34/556314334.db2.gz IOJWAUVDOMDKPJ-QHCPKHFHSA-N 0 0 435.321 5.679 50 30 IKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000009861332 556314617 /nfs/dbraw/zinc/31/46/17/556314617.db2.gz UENBBEOHPDSUAO-VWLOTQADSA-N 0 0 428.919 6.161 50 30 IKEARN CN(C)c1ccc([C@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861331 556314642 /nfs/dbraw/zinc/31/46/42/556314642.db2.gz DVWAKHSJMLPFLW-MHZLTWQESA-N 0 0 437.543 5.573 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000009861334 556314957 /nfs/dbraw/zinc/31/49/57/556314957.db2.gz LYAHDSCFKXKAOR-QFIPXVFZSA-N 0 0 429.347 6.156 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009861337 556315034 /nfs/dbraw/zinc/31/50/34/556315034.db2.gz CXRNYWZRPIVGDD-JOCHJYFZSA-N 0 0 429.347 6.156 50 30 IKEARN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000009925847 556316578 /nfs/dbraw/zinc/31/65/78/556316578.db2.gz JWJOFZQLCLLPQF-VULFUBBASA-N 0 0 431.492 5.923 50 30 IKEARN COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c(OC)c1 ZINC000013838853 556317226 /nfs/dbraw/zinc/31/72/26/556317226.db2.gz UUXGPJGDKDEHSK-DEOSSOPVSA-N 0 0 425.488 5.334 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000009993315 556320215 /nfs/dbraw/zinc/32/02/15/556320215.db2.gz BUVYCAUITHXWQB-HXUWFJFHSA-N 0 0 430.460 5.218 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009993296 556320247 /nfs/dbraw/zinc/32/02/47/556320247.db2.gz CZOXHFHTSMQAGM-OAQYLSRUSA-N 0 0 442.496 5.088 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013728 556322404 /nfs/dbraw/zinc/32/24/04/556322404.db2.gz AKJOCDSTXIQCNT-XMMPIXPASA-N 0 0 447.554 5.134 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000010035302 556323099 /nfs/dbraw/zinc/32/30/99/556323099.db2.gz XUAGXEOBLFQHEV-WXTAPIANSA-N 0 0 447.987 7.008 50 30 IKEARN COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000010035313 556323119 /nfs/dbraw/zinc/32/31/19/556323119.db2.gz KQYMAEBHQWVZEK-XRHLQHRESA-N 0 0 438.527 5.762 50 30 IKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000013880452 556325918 /nfs/dbraw/zinc/32/59/18/556325918.db2.gz SFABHDSECDMFNS-LPYMAVHISA-N 0 0 426.270 5.382 50 30 IKEARN COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1OC ZINC000013881976 556326579 /nfs/dbraw/zinc/32/65/79/556326579.db2.gz YTYRJYOMLKEXSL-YSURURNPSA-N 0 0 425.407 5.431 50 30 IKEARN C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)cc1 ZINC000013943725 556341051 /nfs/dbraw/zinc/34/10/51/556341051.db2.gz BHUNOURHCFITPO-AJBULDERSA-N 0 0 449.510 6.173 50 30 IKEARN Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc1C ZINC000011617257 556342864 /nfs/dbraw/zinc/34/28/64/556342864.db2.gz CSDZDOUGIQDPIS-BUHFOSPRSA-N 0 0 425.553 6.902 50 30 IKEARN C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1Br ZINC000014008619 556353713 /nfs/dbraw/zinc/35/37/13/556353713.db2.gz HIUSDHPZIPAHDY-GZTJUZNOSA-N 0 0 433.302 5.045 50 30 IKEARN CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000014176820 556381942 /nfs/dbraw/zinc/38/19/42/556381942.db2.gz ICDMLAQPOAVWNH-JRUKXMRZSA-N 0 0 431.661 6.449 50 30 in-vitro IKEARN Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000071924247 556403730 /nfs/dbraw/zinc/40/37/30/556403730.db2.gz JEEMAYIDKRNHOD-WUXMJOGZSA-N 0 0 427.887 6.488 50 30 IKEARN COc1ccc(CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)cc1 ZINC000032594173 556407428 /nfs/dbraw/zinc/40/74/28/556407428.db2.gz NSJXUGUPRDCPGR-UHFFFAOYSA-N 0 0 445.906 6.066 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC[C@H]3C2)cc1 ZINC000012659136 556409112 /nfs/dbraw/zinc/40/91/12/556409112.db2.gz HNTMKSKJRZRWKS-MXXJNVRFSA-N 0 0 444.637 5.681 50 30 biogenic IKEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1 ZINC000032828842 556413271 /nfs/dbraw/zinc/41/32/71/556413271.db2.gz JFJZDFCBSSSARC-JOCHJYFZSA-N 0 0 445.569 5.269 50 30 IKEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Sc2ccccc2)cc1 ZINC000032828685 556413282 /nfs/dbraw/zinc/41/32/82/556413282.db2.gz WCNUAQCIHVQXMH-NRFANRHFSA-N 0 0 431.542 5.128 50 30 IKEARN COC(Cn1c(-c2ccccc2)cc(C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1)OC ZINC000004391211 556414744 /nfs/dbraw/zinc/41/47/44/556414744.db2.gz QBVQMLPXEWDNAL-UHFFFAOYSA-N 0 0 445.559 6.099 50 30 IKEARN CC(=O)c1cc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1C ZINC000032672381 556415080 /nfs/dbraw/zinc/41/50/80/556415080.db2.gz VHDVBCIALQYSMX-UHFFFAOYSA-N 0 0 431.542 5.386 50 30 IKEARN CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O ZINC000014686651 556432628 /nfs/dbraw/zinc/43/26/28/556432628.db2.gz TYDBFNAOFZIICW-CQSZACIVSA-N 0 0 442.552 5.307 50 30 biogenic,in-vitro IKEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000011034543 556460554 /nfs/dbraw/zinc/46/05/54/556460554.db2.gz JECGPSBXGNOQLY-HXUWFJFHSA-N 0 0 438.940 5.234 50 30 IKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)o1 ZINC000013108366 556462026 /nfs/dbraw/zinc/46/20/26/556462026.db2.gz IOULCBCYJNRBJR-AFUMVMLFSA-N 0 0 426.432 6.130 50 30 IKEARN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000072289151 556483561 /nfs/dbraw/zinc/48/35/61/556483561.db2.gz FAIVCJWTXBRNMK-UHFFFAOYSA-N 0 0 434.569 5.045 50 30 IKEARN CCCCN1c2ccccc2C(=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)C1=O ZINC000015015695 556484771 /nfs/dbraw/zinc/48/47/71/556484771.db2.gz FGSBTRALSWEUPG-HNENSFHCSA-N 0 0 425.941 5.897 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000015016031 556485576 /nfs/dbraw/zinc/48/55/76/556485576.db2.gz IPHUNEJHSDOCJV-HMAPJEAMSA-N 0 0 434.492 5.305 50 30 IKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000015016492 556485833 /nfs/dbraw/zinc/48/58/33/556485833.db2.gz NFIXVZHXHDRPSR-NSIKDUERSA-N 0 0 434.336 5.082 50 30 IKEARN CC(C)(C)c1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(C(C)(C)C)c1O ZINC000015018783 556487132 /nfs/dbraw/zinc/48/71/32/556487132.db2.gz KTZKVPDRQPXAFF-UVHMKAGCSA-N 0 0 437.609 5.520 50 30 IKEARN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000015054366 556490177 /nfs/dbraw/zinc/49/01/77/556490177.db2.gz BJKOPLOZQDQIOT-KQWPUEFFSA-N 0 0 440.568 5.975 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(OC)cc3OC)n2)cc1 ZINC000030721860 556502660 /nfs/dbraw/zinc/50/26/60/556502660.db2.gz VBAADFORZVGCOC-PKAZHMFMSA-N 0 0 440.503 5.282 50 30 IKEARN COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000060083868 556511820 /nfs/dbraw/zinc/51/18/20/556511820.db2.gz BRTVSWJQDFKVEW-UHFFFAOYSA-N 0 0 437.839 5.197 50 30 IKEARN Cc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Br)c1 ZINC000015224808 556512158 /nfs/dbraw/zinc/51/21/58/556512158.db2.gz SKBCPUQGFCYFRK-BUVRLJJBSA-N 0 0 425.326 5.605 50 30 IKEARN Cc1cc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)ccc1I ZINC000015226988 556512406 /nfs/dbraw/zinc/51/24/06/556512406.db2.gz ADXKROZPYUNPKI-HYARGMPZSA-N 0 0 429.305 5.207 50 30 IKEARN O=C(COc1ccc(C=Nc2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000003082769 556518618 /nfs/dbraw/zinc/51/86/18/556518618.db2.gz PPDLNYBVGMZYMO-RDRPBHBLSA-N 0 0 425.915 7.019 50 30 IKEARN Brc1ccc(COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 ZINC000003084244 556518643 /nfs/dbraw/zinc/51/86/43/556518643.db2.gz GBAWOZDVGNYAMC-YDZHTSKRSA-N 0 0 445.154 6.541 50 30 IKEARN Cc1cccc(/N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc32)c1 ZINC000003089442 556519141 /nfs/dbraw/zinc/51/91/41/556519141.db2.gz TXNFZBHCIPYLBO-PCLIKHOPSA-N 0 0 446.484 5.575 50 30 IKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000003089365 556519203 /nfs/dbraw/zinc/51/92/03/556519203.db2.gz ZJASIJBNDWBNHN-CVKSISIWSA-N 0 0 430.847 6.371 50 30 IKEARN Cc1cc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)oc2cc1C ZINC000003092450 556519964 /nfs/dbraw/zinc/51/99/64/556519964.db2.gz NSPQJTVQBFTWKQ-RPPGKUMJSA-N 0 0 449.348 6.947 50 30 IKEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000032124775 556533637 /nfs/dbraw/zinc/53/36/37/556533637.db2.gz WHAQREIOMFWERS-YMERHICUSA-N 0 0 431.388 6.930 50 30 IKEARN Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000015769110 556549818 /nfs/dbraw/zinc/54/98/18/556549818.db2.gz JTKVWSABDAHHAV-JOPVOSQUSA-N 0 0 440.455 5.086 50 30 IKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000015826265 556554182 /nfs/dbraw/zinc/55/41/82/556554182.db2.gz MTMYSPZMMJHIKN-VWLOTQADSA-N 0 0 442.584 6.513 50 30 IKEARN N#Cc1c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)sc2c1CCCC2 ZINC000015838265 556555951 /nfs/dbraw/zinc/55/59/51/556555951.db2.gz GQHRHOAUUBAVOU-OAQYLSRUSA-N 0 0 428.513 5.205 50 30 IKEARN N#Cc1c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)sc2c1CCCC2 ZINC000015838267 556555982 /nfs/dbraw/zinc/55/59/82/556555982.db2.gz GQHRHOAUUBAVOU-NRFANRHFSA-N 0 0 428.513 5.205 50 30 IKEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000033349572 556562642 /nfs/dbraw/zinc/56/26/42/556562642.db2.gz SSOHTJSQYFYSSO-CFEZCKOSSA-N 0 0 428.557 5.850 50 30 IKEARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c12 ZINC000032908480 556564887 /nfs/dbraw/zinc/56/48/87/556564887.db2.gz QUJZWTCDCORJQK-UHFFFAOYSA-N 0 0 430.467 5.245 50 30 IKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)c(Cl)c1 ZINC000015945264 556566661 /nfs/dbraw/zinc/56/66/61/556566661.db2.gz ZHCNZOBNBHQEMC-YJOHERITSA-N 0 0 444.025 6.423 50 30 IKEARN COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1c(C)cccc1C ZINC000015945294 556566842 /nfs/dbraw/zinc/56/68/42/556566842.db2.gz BSOYIPLJNAWQJA-YZSQISJMSA-N 0 0 449.507 5.514 50 30 IKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2C)CCCC3)c1 ZINC000015946413 556567356 /nfs/dbraw/zinc/56/73/56/556567356.db2.gz ZEHBNMXXDGSGBR-JFLMPSFJSA-N 0 0 448.588 6.264 50 30 IKEARN CC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000015986355 556571191 /nfs/dbraw/zinc/57/11/91/556571191.db2.gz LIWPNFVMJZMRDJ-HPNDGRJYSA-N 0 0 447.951 5.694 50 30 IKEARN N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@H]2C=Cc3ccccc3N21 ZINC000016000594 556572877 /nfs/dbraw/zinc/57/28/77/556572877.db2.gz GALYBOBKSUAVHA-GVAUOCQISA-N 0 0 435.914 5.624 50 30 IKEARN C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@H](C1CCCCC1)Cc1ccccc1-2 ZINC000002468789 556575027 /nfs/dbraw/zinc/57/50/27/556575027.db2.gz KWQLHHKEKMZWLM-XMMPIXPASA-N 0 0 442.628 6.457 50 30 IKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 ZINC000016034417 556577380 /nfs/dbraw/zinc/57/73/80/556577380.db2.gz ISXHHSLHOQHZBA-YTFSRNRJSA-N 0 0 441.943 5.686 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O ZINC000034807855 556582926 /nfs/dbraw/zinc/58/29/26/556582926.db2.gz LEHKLFXCYIZPJE-WWFKBGPPSA-N 0 0 443.616 6.481 50 30 IKEARN N#CCCN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1cccc(Cl)c1 ZINC000034863264 556584291 /nfs/dbraw/zinc/58/42/91/556584291.db2.gz YVSKWZKULORQIX-JOCHJYFZSA-N 0 0 442.009 5.357 50 30 IKEARN Fc1c(F)c(F)c(N=NCc2cccc(OCc3cccc4ccccc43)c2)c(F)c1F ZINC000016185337 556587681 /nfs/dbraw/zinc/58/76/81/556587681.db2.gz GIFGRDQITJPSOR-PNQUVVCRSA-N 0 0 442.387 6.560 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2cc(C)cc(C)c2)c1C ZINC000032971561 556589294 /nfs/dbraw/zinc/58/92/94/556589294.db2.gz RBXUVCMJECLBLD-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2ccc(C)cc2C)c1C ZINC000032971554 556589297 /nfs/dbraw/zinc/58/92/97/556589297.db2.gz HJWDVOFZQCHLRJ-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2F)c1C ZINC000032971649 556589649 /nfs/dbraw/zinc/58/96/49/556589649.db2.gz QJBXAUNYBRJURX-UHFFFAOYSA-N 0 0 449.574 5.355 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c1C ZINC000032972094 556589810 /nfs/dbraw/zinc/58/98/10/556589810.db2.gz OORBSUBCGQICRZ-UHFFFAOYSA-N 0 0 435.547 5.180 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c1C ZINC000032972048 556589853 /nfs/dbraw/zinc/58/98/53/556589853.db2.gz GRGDULUBEQWWOF-UHFFFAOYSA-N 0 0 431.584 5.152 50 30 IKEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2cccc(Cl)c2C)c1C ZINC000032971877 556590295 /nfs/dbraw/zinc/59/02/95/556590295.db2.gz SDBRFRUGUNTVOX-UHFFFAOYSA-N 0 0 437.975 5.188 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1 ZINC000032972322 556590761 /nfs/dbraw/zinc/59/07/61/556590761.db2.gz SWTXPKTXFADOEO-UHFFFAOYSA-N 0 0 445.611 5.295 50 30 IKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000016213205 556591163 /nfs/dbraw/zinc/59/11/63/556591163.db2.gz AWIYDOPOGWXPKE-SSOJOUAXSA-N 0 0 429.451 5.713 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2C)c(C)n1 ZINC000032972792 556591711 /nfs/dbraw/zinc/59/17/11/556591711.db2.gz VWLDXQOXYHZYKU-UHFFFAOYSA-N 0 0 445.611 5.606 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2ccc(C)cc2C)c(C)n1 ZINC000032972855 556591729 /nfs/dbraw/zinc/59/17/29/556591729.db2.gz PJHCRTYBQMYYGX-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)c(C)n1 ZINC000032973036 556591953 /nfs/dbraw/zinc/59/19/53/556591953.db2.gz RFERGAGNIXMXOR-UHFFFAOYSA-N 0 0 449.574 5.436 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2ccc(C(C)C)cc2)c(C)n1 ZINC000032972917 556592650 /nfs/dbraw/zinc/59/26/50/556592650.db2.gz ZDUOGVJYVXVIMD-UHFFFAOYSA-N 0 0 435.547 5.262 50 30 IKEARN CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(Cl)cc2C)c(C)n1 ZINC000032973119 556593107 /nfs/dbraw/zinc/59/31/07/556593107.db2.gz CTXKQRIZYKGSAQ-UHFFFAOYSA-N 0 0 437.975 5.270 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c1C ZINC000032973283 556593638 /nfs/dbraw/zinc/59/36/38/556593638.db2.gz QKDJSZVWBXGXQM-UHFFFAOYSA-N 0 0 445.611 5.392 50 30 IKEARN CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c1C ZINC000032973384 556593798 /nfs/dbraw/zinc/59/37/98/556593798.db2.gz LZFICVUBBBLQOV-UHFFFAOYSA-N 0 0 445.611 5.194 50 30 IKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 ZINC000016294250 556598903 /nfs/dbraw/zinc/59/89/03/556598903.db2.gz VQXJVTIPWUYNDX-OAQYLSRUSA-N 0 0 445.321 5.739 50 30 IKEARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000016346453 556601415 /nfs/dbraw/zinc/60/14/15/556601415.db2.gz RJDAKOJTSQFYTN-AWEZNQCLSA-N 0 0 436.364 5.143 50 30 IKEARN O=C(c1ccccc1)C1=CN(c2cccc(C(F)(F)F)c2)c2ccccc2S1(=O)=O ZINC000032984136 556603268 /nfs/dbraw/zinc/60/32/68/556603268.db2.gz MIYZWLIMIQPWSU-UHFFFAOYSA-N 0 0 429.419 5.355 50 30 IKEARN COc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984214 556603456 /nfs/dbraw/zinc/60/34/56/556603456.db2.gz NCINNRWJFCUKIU-UHFFFAOYSA-N 0 0 439.920 5.307 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O ZINC000032984242 556603688 /nfs/dbraw/zinc/60/36/88/556603688.db2.gz ZASNIKYWZLWMEK-UHFFFAOYSA-N 0 0 431.847 5.268 50 30 IKEARN CCOc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984440 556603869 /nfs/dbraw/zinc/60/38/69/556603869.db2.gz WCLRGTHQYOIMOV-UHFFFAOYSA-N 0 0 437.492 5.183 50 30 IKEARN Cc1ccc(C(=O)C2=CN(c3ccc(N(C)C)cc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000032984265 556604030 /nfs/dbraw/zinc/60/40/30/556604030.db2.gz JNIWGBMVCIAOMZ-UHFFFAOYSA-N 0 0 432.545 5.019 50 30 IKEARN Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984384 556604219 /nfs/dbraw/zinc/60/42/19/556604219.db2.gz SLKJGSXWVOPTCM-UHFFFAOYSA-N 0 0 427.884 5.437 50 30 IKEARN N#Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984399 556604258 /nfs/dbraw/zinc/60/42/58/556604258.db2.gz DWMDGFJNEUAEOW-UHFFFAOYSA-N 0 0 438.867 5.000 50 30 IKEARN COc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984382 556604302 /nfs/dbraw/zinc/60/43/02/556604302.db2.gz BUZJYTWCIONZDE-UHFFFAOYSA-N 0 0 443.883 5.137 50 30 IKEARN CCc1ccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984367 556604355 /nfs/dbraw/zinc/60/43/55/556604355.db2.gz XZQYERKAMQHPME-UHFFFAOYSA-N 0 0 437.492 5.046 50 30 IKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1 ZINC000016426537 556606819 /nfs/dbraw/zinc/60/68/19/556606819.db2.gz WXNCEAQGONUWPI-XGCWNURASA-N 0 0 444.506 5.822 50 30 IKEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2 ZINC000016447541 556608029 /nfs/dbraw/zinc/60/80/29/556608029.db2.gz JEOYTJHJEPVVGE-MRDQGFSESA-N 0 0 428.463 5.534 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997448 556609250 /nfs/dbraw/zinc/60/92/50/556609250.db2.gz GXRPNNSVTOAIQF-HSZRJFAPSA-N 0 0 445.548 5.055 50 30 IKEARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997447 556609282 /nfs/dbraw/zinc/60/92/82/556609282.db2.gz GXRPNNSVTOAIQF-QHCPKHFHSA-N 0 0 445.548 5.055 50 30 IKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccccc1OCc1ccccc1 ZINC000016480745 556611441 /nfs/dbraw/zinc/61/14/41/556611441.db2.gz FHIZGPPMNQEYQC-VYVUJPJFSA-N 0 0 442.334 6.287 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)cc1 ZINC000032915568 556612780 /nfs/dbraw/zinc/61/27/80/556612780.db2.gz WCVYHNNXXYCRPL-UHFFFAOYSA-N 0 0 436.240 5.520 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000016513027 556613269 /nfs/dbraw/zinc/61/32/69/556613269.db2.gz MGJMVMJSEKKDSH-WGOQTCKBSA-N 0 0 443.348 6.328 50 30 IKEARN C(=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)\c1ccccc1 ZINC000016671652 556621545 /nfs/dbraw/zinc/62/15/45/556621545.db2.gz NJYHHTCFAHCIPJ-YKOFJRSYSA-N 0 0 428.579 7.315 50 30 IKEARN Cc1ccc(C(=O)/C=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000016667374 556621661 /nfs/dbraw/zinc/62/16/61/556621661.db2.gz AXWIXMAJZRTHCP-UKWOOVPBSA-N 0 0 442.562 7.247 50 30 IKEARN Cc1c(O)ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c1O ZINC000016677640 556622701 /nfs/dbraw/zinc/62/27/01/556622701.db2.gz HWGMWZXLILYNJA-VULFUBBASA-N 0 0 430.895 5.630 50 30 IKEARN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000016677395 556622709 /nfs/dbraw/zinc/62/27/09/556622709.db2.gz QOODNLLNLFMICV-DZNDYGJHSA-N 0 0 444.556 6.293 50 30 IKEARN CCCCCCCCOc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000100606128 556630505 /nfs/dbraw/zinc/63/05/05/556630505.db2.gz HYOOUGKYJPIKNY-HSZRJFAPSA-N 0 0 429.604 7.584 50 30 IKEARN O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000033751445 556630538 /nfs/dbraw/zinc/63/05/38/556630538.db2.gz NFCGDKANQDHJRW-YVADOFBFSA-N 0 0 449.373 6.253 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731760 556631413 /nfs/dbraw/zinc/63/14/13/556631413.db2.gz TZZSGINJMGTZAB-HSZRJFAPSA-N 0 0 433.479 5.629 50 30 IKEARN CCCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005092873 556633690 /nfs/dbraw/zinc/63/36/90/556633690.db2.gz MPBHOJHESNZCEY-MHZLTWQESA-N 0 0 432.608 7.094 50 30 IKEARN Cc1ccc(C(=CCc2ccc(Cl)cc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000016739870 556634229 /nfs/dbraw/zinc/63/42/29/556634229.db2.gz IUDKJALZZXTDRG-RGDDEBLSSA-N 0 0 436.855 5.994 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2/C=C\c1ccccc1 ZINC000033780138 556634595 /nfs/dbraw/zinc/63/45/95/556634595.db2.gz MEBYLSQVZSCHEG-LGIXDALBSA-N 0 0 448.566 6.484 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)cc1 ZINC000016741314 556635038 /nfs/dbraw/zinc/63/50/38/556635038.db2.gz NOJQMHIZVDVQQG-OAQYLSRUSA-N 0 0 441.512 5.091 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 ZINC000016741372 556635049 /nfs/dbraw/zinc/63/50/49/556635049.db2.gz HBZUKTBGVVZSPP-JOCHJYFZSA-N 0 0 439.939 5.626 50 30 IKEARN O=C(Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000016751712 556637605 /nfs/dbraw/zinc/63/76/05/556637605.db2.gz SGUNUWUZWRCIKW-AFUMVMLFSA-N 0 0 448.935 5.867 50 30 IKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(C)c1Cl ZINC000003113662 556642191 /nfs/dbraw/zinc/64/21/91/556642191.db2.gz NDNRKZXXHAQMJW-NSKAYECMSA-N 0 0 445.733 7.528 50 30 IKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016953600 556650138 /nfs/dbraw/zinc/65/01/38/556650138.db2.gz IXJRHWWCUQQFOC-HXUWFJFHSA-N 0 0 445.544 5.048 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1cccc(Cl)c1 ZINC000016971940 556651747 /nfs/dbraw/zinc/65/17/47/556651747.db2.gz OUFYNXNDCTWGAL-FQEVSTJZSA-N 0 0 436.968 5.705 50 30 IKEARN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O ZINC000017097153 556661133 /nfs/dbraw/zinc/66/11/33/556661133.db2.gz LXYQEMYXQSEUKH-UINIZAEWSA-N 0 0 430.573 6.561 50 30 IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O ZINC000011865112 556664897 /nfs/dbraw/zinc/66/48/97/556664897.db2.gz REVLGCJWUCABLD-JUUKDOEISA-N 0 0 436.463 5.629 50 30 biogenic IKEARN C/C(=N/OC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000017100534 556665490 /nfs/dbraw/zinc/66/54/90/556665490.db2.gz FNMKGNDPGBXBIT-GTWSWNCMSA-N 0 0 436.555 7.089 50 30 IKEARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)o1 ZINC000017101274 556665929 /nfs/dbraw/zinc/66/59/29/556665929.db2.gz YDKFHCFIVGDXJR-UHFFFAOYSA-N 0 0 437.451 6.312 50 30 IKEARN C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nc2sc(C)c(C)c2c1=O ZINC000022984879 556667119 /nfs/dbraw/zinc/66/71/19/556667119.db2.gz PJUJGIWGYIYUCV-UHFFFAOYSA-N 0 0 438.521 5.163 50 30 IKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1 ZINC000011868867 556667578 /nfs/dbraw/zinc/66/75/78/556667578.db2.gz YKGHXVCGJISTFP-MTJSOVHGSA-N 0 0 441.266 5.837 50 30 IKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000011869034 556667837 /nfs/dbraw/zinc/66/78/37/556667837.db2.gz FYNBSVPJWWVETR-WSHPORRNSA-N 0 0 437.278 6.228 50 30 IKEARN CC(C)CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017113156 556668061 /nfs/dbraw/zinc/66/80/61/556668061.db2.gz MGQLKWGCENGDDV-QGZVFWFLSA-N 0 0 429.611 5.170 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000017123935 556668607 /nfs/dbraw/zinc/66/86/07/556668607.db2.gz UXKCHHHHPPYGOV-QHCPKHFHSA-N 0 0 433.508 5.394 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccc(F)c1 ZINC000017124854 556668954 /nfs/dbraw/zinc/66/89/54/556668954.db2.gz VQABUBVJJRBHPY-HXUWFJFHSA-N 0 0 432.417 5.531 50 30 IKEARN Cc1ccc(Sc2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)cc1 ZINC000017147108 556669948 /nfs/dbraw/zinc/66/99/48/556669948.db2.gz DLTLVWTVUAZCQL-SGWCAAJKSA-N 0 0 434.520 7.263 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 ZINC000017145469 556669979 /nfs/dbraw/zinc/66/99/79/556669979.db2.gz IQCHBIOTWKRKRW-QHCPKHFHSA-N 0 0 431.919 5.469 50 30 IKEARN S=C1N(c2ccccc2)C(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000017154889 556670588 /nfs/dbraw/zinc/67/05/88/556670588.db2.gz GXEVEEXXLMAMHC-HIXBMYMESA-N 0 0 432.552 6.759 50 30 IKEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2 ZINC000017178665 556671783 /nfs/dbraw/zinc/67/17/83/556671783.db2.gz FNEAMGRDWADKJD-LJQANCHMSA-N 0 0 433.508 5.178 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1ccccc1 ZINC000017242390 556674267 /nfs/dbraw/zinc/67/42/67/556674267.db2.gz APLKEYLPLCHNJF-HXUWFJFHSA-N 0 0 443.572 5.675 50 30 IKEARN Clc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)c(Cl)c1 ZINC000011991687 556678605 /nfs/dbraw/zinc/67/86/05/556678605.db2.gz LRHJSYDTJGHAGB-DNTJNYDQSA-N 0 0 427.154 6.325 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(CC)s1 ZINC000018038380 556682143 /nfs/dbraw/zinc/68/21/43/556682143.db2.gz VEHPKAAVCHEUTI-RCDICMHDSA-N 0 0 427.591 5.297 50 30 IKEARN Fc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c(Cl)c1 ZINC000003113953 556682478 /nfs/dbraw/zinc/68/24/78/556682478.db2.gz RMAGZCWMAUODMV-BHGWPJFGSA-N 0 0 429.676 6.800 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000018082385 556683391 /nfs/dbraw/zinc/68/33/91/556683391.db2.gz URVROLGYPGPCLQ-MUUNZHRXSA-N 0 0 448.566 6.269 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000018137672 556684644 /nfs/dbraw/zinc/68/46/44/556684644.db2.gz FCTUPJZLWWGATE-HRFSGMKKSA-N 0 0 426.491 5.746 50 30 IKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2 ZINC000226759992 556685199 /nfs/dbraw/zinc/68/51/99/556685199.db2.gz RGXYSKFXYUNLBJ-RKPUJPDHSA-N 0 0 442.467 5.708 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000018155903 556685209 /nfs/dbraw/zinc/68/52/09/556685209.db2.gz AUGPVCVOLVUIRU-GKVSMKOHSA-N 0 0 432.907 5.854 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(OCc2ccc(F)cc2)c1 ZINC000226762928 556685353 /nfs/dbraw/zinc/68/53/53/556685353.db2.gz GFHOXAKMFHPFGJ-MHZLTWQESA-N 0 0 442.534 6.627 50 30 IKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000018172873 556685620 /nfs/dbraw/zinc/68/56/20/556685620.db2.gz BQCCHOWCZWHBJU-VWLOTQADSA-N 0 0 434.536 5.257 50 30 IKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cc(Br)ccc3F)C12 ZINC000018180985 556685732 /nfs/dbraw/zinc/68/57/32/556685732.db2.gz QVMHTKLJLLFRFP-QFIPXVFZSA-N 0 0 438.321 6.455 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000018206702 556686920 /nfs/dbraw/zinc/68/69/20/556686920.db2.gz RFGAFOURCLUOMA-CCLHPLFOSA-N 0 0 442.946 6.261 50 30 IKEARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000018249861 556688150 /nfs/dbraw/zinc/68/81/50/556688150.db2.gz YDTXFOIGDQGKQP-NRFANRHFSA-N 0 0 444.453 5.401 50 30 IKEARN C=CCn1c(SCc2nnc(SCc3ccc(F)cc3)o2)nnc1-c1ccccc1 ZINC000002578050 556688974 /nfs/dbraw/zinc/68/89/74/556688974.db2.gz AYGQQWZMKJKUKF-UHFFFAOYSA-N 0 0 439.541 5.238 50 30 IKEARN C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000136385896 556689136 /nfs/dbraw/zinc/68/91/36/556689136.db2.gz MPHNQMXBZMOYGA-UHFFFAOYSA-N 0 0 444.084 5.629 50 30 IKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000018323439 556689411 /nfs/dbraw/zinc/68/94/11/556689411.db2.gz MPDSXYRJWFCSBN-HFJWLAOPSA-N 0 0 428.488 5.209 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000018322539 556689444 /nfs/dbraw/zinc/68/94/44/556689444.db2.gz QLJYLEUKPIZAFW-VWLOTQADSA-N 0 0 436.983 6.673 50 30 IKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000018323443 556689464 /nfs/dbraw/zinc/68/94/64/556689464.db2.gz MPDSXYRJWFCSBN-DWXRJYCRSA-N 0 0 428.488 5.209 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1 ZINC000018324590 556689711 /nfs/dbraw/zinc/68/97/11/556689711.db2.gz KFMRSICDARYYBV-UZTOHYMASA-N 0 0 426.516 5.683 50 30 IKEARN Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c1 ZINC000003115320 556693144 /nfs/dbraw/zinc/69/31/44/556693144.db2.gz FVDJCYBXKASMQK-BHGWPJFGSA-N 0 0 446.131 7.315 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@]1(O)CCCc2ccccc21 ZINC000013591451 556700452 /nfs/dbraw/zinc/70/04/52/556700452.db2.gz NEWODRLGXDGQST-GDLZYMKVSA-N 0 0 448.591 6.603 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033026473 556703509 /nfs/dbraw/zinc/70/35/09/556703509.db2.gz AKLUZVOIEKVLJU-LRTDBIEQSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033026456 556703539 /nfs/dbraw/zinc/70/35/39/556703539.db2.gz CEDOFBNGFVTUKT-QKVFXAPYSA-N 0 0 441.314 5.954 50 30 IKEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1C ZINC000033027024 556704169 /nfs/dbraw/zinc/70/41/69/556704169.db2.gz YLTQUPRZTYJZPP-UHFFFAOYSA-N 0 0 433.895 6.268 50 30 IKEARN O=C(/C=C/c1nc2ccccc2[nH]1)c1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000072314755 556704767 /nfs/dbraw/zinc/70/47/67/556704767.db2.gz JDOQEYGHPDCRNU-BUHFOSPRSA-N 0 0 425.875 5.621 50 30 IKEARN N#Cc1c2c(c(C(F)(F)F)nc1SCc1cn3cc(Cl)cc(Cl)c3n1)CCC2 ZINC000013640453 556705137 /nfs/dbraw/zinc/70/51/37/556705137.db2.gz CMTBDSQITSFHPD-UHFFFAOYSA-N 0 0 443.281 5.708 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000013635507 556705432 /nfs/dbraw/zinc/70/54/32/556705432.db2.gz SPICJYJHSFWNHN-ZRBLBEILSA-N 0 0 441.943 5.686 50 30 IKEARN COc1c2c(cc3c1[C@@H](CC(=O)/C(C)=C/[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2 ZINC000033887130 556719844 /nfs/dbraw/zinc/71/98/44/556719844.db2.gz SSFGQCRZUFDDEM-ZUGOVCDKSA-N 0 0 425.569 5.241 50 30 biogenic IKEARN CC1(C)CC(=O)[C@@H]([C@@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1 ZINC000005180180 556721938 /nfs/dbraw/zinc/72/19/38/556721938.db2.gz BSMWLMCESYEKFA-SYXVUOQKSA-N 0 0 426.560 6.061 50 30 IKEARN CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(-c2ccc(OC)cc2)c1C#N ZINC000013739301 556723714 /nfs/dbraw/zinc/72/37/14/556723714.db2.gz UYAFZBHUZXTPLW-UHFFFAOYSA-N 0 0 437.590 5.318 50 30 IKEARN N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013758166 556727635 /nfs/dbraw/zinc/72/76/35/556727635.db2.gz PBPZPECVMADTSF-WUKNDPDISA-N 0 0 446.554 5.628 50 30 IKEARN COc1ccc(/C=C\C(=O)c2cccs2)cc1Cn1nc(C)c(Br)c1C ZINC000033928277 556733203 /nfs/dbraw/zinc/73/32/03/556733203.db2.gz RSVSSLWPCYJYAK-VURMDHGXSA-N 0 0 431.355 5.277 50 30 IKEARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)[C@@H](C)CC#N)c2c1C ZINC000078968152 556737434 /nfs/dbraw/zinc/73/74/34/556737434.db2.gz CBAHUCMWDROIAQ-AWEZNQCLSA-N 0 0 440.594 5.207 50 30 IKEARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000013810529 556743851 /nfs/dbraw/zinc/74/38/51/556743851.db2.gz ZAPIHSXMNPLXBY-YCPBAFNGSA-N 0 0 445.659 6.569 50 30 IKEARN N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1 ZINC000013839298 556745216 /nfs/dbraw/zinc/74/52/16/556745216.db2.gz CZYXZZFDWHXDAQ-UHFFFAOYSA-N 0 0 428.250 5.509 50 30 IKEARN CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 ZINC000013881275 556748433 /nfs/dbraw/zinc/74/84/33/556748433.db2.gz MVXPHNJQNFKJDJ-UHFFFAOYSA-N 0 0 439.544 5.381 50 30 IKEARN N#Cc1c2c(c(NN(Cc3ccccc3)Cc3ccccc3)n3c4ccccc4nc13)CCC2 ZINC000005295079 556762418 /nfs/dbraw/zinc/76/24/18/556762418.db2.gz ICLYKXHEPFTMTN-UHFFFAOYSA-N 0 0 443.554 5.877 50 30 IKEARN COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000019535992 556794133 /nfs/dbraw/zinc/79/41/33/556794133.db2.gz CYJHZDKJBSGMPD-XMMPIXPASA-N 0 0 431.532 5.043 50 30 IKEARN C=CCn1c(=O)c2ccccc2nc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000002660624 556802859 /nfs/dbraw/zinc/80/28/59/556802859.db2.gz LJJVMIRYOUTYQJ-JOCHJYFZSA-N 0 0 445.519 5.194 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2[C@H](C)CC)nc2sc(C)c(C)c2c1=O ZINC000003249954 556804973 /nfs/dbraw/zinc/80/49/73/556804973.db2.gz IOUJUOAZZHJWNF-CQSZACIVSA-N 0 0 441.622 5.505 50 30 IKEARN CC(C)N(C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 ZINC000003257024 556807094 /nfs/dbraw/zinc/80/70/94/556807094.db2.gz URWPNNDADOWGAB-UHFFFAOYSA-N 0 0 430.529 5.308 50 30 IKEARN CCCCCCCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000097944606 556815175 /nfs/dbraw/zinc/81/51/75/556815175.db2.gz GFKYPIICHSNPGC-UHFFFAOYSA-N 0 0 432.608 7.171 50 30 IKEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O ZINC000003470740 556816308 /nfs/dbraw/zinc/81/63/08/556816308.db2.gz BYOODFAOHSFYCL-OAHLLOKOSA-N 0 0 428.579 5.023 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(Nc2cccc(C(F)(F)F)c2)cc1-c1ccccc1 ZINC000005544055 556822979 /nfs/dbraw/zinc/82/29/79/556822979.db2.gz FIHHQRUFLJZGCH-UHFFFAOYSA-N 0 0 428.417 6.789 50 30 IKEARN O=C(Oc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1)c1ccc(Br)cc1 ZINC000003116421 556826953 /nfs/dbraw/zinc/82/69/53/556826953.db2.gz RCLSKNIJTQAFRP-WYMPLXKRSA-N 0 0 449.131 6.726 50 30 IKEARN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000019594662 556830386 /nfs/dbraw/zinc/83/03/86/556830386.db2.gz MVHLDOFKHFTDSA-UHFFFAOYSA-N 0 0 449.591 5.623 50 30 IKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019631390 556832593 /nfs/dbraw/zinc/83/25/93/556832593.db2.gz QITBWJCJYYXBIR-IBGZPJMESA-N 0 0 440.392 5.258 50 30 IKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019634626 556834449 /nfs/dbraw/zinc/83/44/49/556834449.db2.gz USDMBBGSNOGXPP-AJTFRIOCSA-N 0 0 441.571 5.924 50 30 IKEARN O=C(/C=C\c1c(F)cccc1Cl)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000096609560 556837507 /nfs/dbraw/zinc/83/75/07/556837507.db2.gz VFQDPWUHNVOCHI-BENRWUELSA-N 0 0 438.285 6.537 50 30 IKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019643587 556838390 /nfs/dbraw/zinc/83/83/90/556838390.db2.gz GSKDVKZRDSPPOD-SIBVEZHUSA-N 0 0 445.534 5.673 50 30 IKEARN COc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000019643788 556838551 /nfs/dbraw/zinc/83/85/51/556838551.db2.gz LYBMJVAFISFUSN-FQRUVTKNSA-N 0 0 445.559 5.256 50 30 IKEARN O=C(C(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)c1ccccc1)c1ccccc1 ZINC000019645641 556840128 /nfs/dbraw/zinc/84/01/28/556840128.db2.gz BBJQEWAEAYYKTJ-UHFFFAOYSA-N 0 0 447.317 7.403 50 30 IKEARN CCCCCCCCCCCCCCCC(=O)OCC(C)(C)[C@H](O)C(=O)NCCC#N ZINC000097949436 556840310 /nfs/dbraw/zinc/84/03/10/556840310.db2.gz BUAOZWHUTYXTJD-HSZRJFAPSA-N 0 0 438.653 5.428 50 30 IKEARN O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOCC2)c1 ZINC000096794645 556845747 /nfs/dbraw/zinc/84/57/47/556845747.db2.gz IPRHKOLOWXIVPG-CLFYSBASSA-N 0 0 428.315 5.986 50 30 IKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000097951485 556848460 /nfs/dbraw/zinc/84/84/60/556848460.db2.gz CYSZGUOVMFLTMN-UHFFFAOYSA-N 0 0 443.444 7.562 50 30 IKEARN CCCCCCCCn1c(CCC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000097953062 556849919 /nfs/dbraw/zinc/84/99/19/556849919.db2.gz WNQXTYZMWYGKJX-UHFFFAOYSA-N 0 0 441.641 6.171 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O ZINC000097954563 556850569 /nfs/dbraw/zinc/85/05/69/556850569.db2.gz NXUGIRBPTKMSGT-UHFFFAOYSA-N 0 0 441.535 5.263 50 30 IKEARN C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000008898417 556851011 /nfs/dbraw/zinc/85/10/11/556851011.db2.gz UCJUQURNBJFVOV-AWEZNQCLSA-N 0 0 442.635 5.690 50 30 IKEARN CCc1ccc(-c2nc(NC(=O)/C=C/c3ccc(OCC#N)c(OC)c3)sc2C)cc1 ZINC000008877485 556851641 /nfs/dbraw/zinc/85/16/41/556851641.db2.gz DXKGQAOTDZBMAU-XYOKQWHBSA-N 0 0 433.533 5.244 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4F)ccc3C1=O)cn2C ZINC000008991545 556853282 /nfs/dbraw/zinc/85/32/82/556853282.db2.gz PSEBQWOVGNVVAW-OPEKNORGSA-N 0 0 429.447 5.521 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1 ZINC000033097091 556858230 /nfs/dbraw/zinc/85/82/30/556858230.db2.gz XTGBMTDYYFWIIP-LNLSZRECSA-N 0 0 438.597 5.696 50 30 IKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(NC(C)=O)cc1 ZINC000004675199 556864722 /nfs/dbraw/zinc/86/47/22/556864722.db2.gz MPWYXKNAIKSTTP-UHFFFAOYSA-N 0 0 425.536 6.102 50 30 IKEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000033169058 556881430 /nfs/dbraw/zinc/88/14/30/556881430.db2.gz AJPPYFKUUMRELZ-UHFFFAOYSA-N 0 0 425.922 5.289 50 30 IKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004712788 556890297 /nfs/dbraw/zinc/89/02/97/556890297.db2.gz JTFHIBPPUAYFMW-HSZRJFAPSA-N 0 0 425.569 5.423 50 30 IKEARN COc1cc2c(cc1OC)[C@@H](C1C(=O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 ZINC000004713235 556890376 /nfs/dbraw/zinc/89/03/76/556890376.db2.gz VZZLAMBMWPLSFB-NRFANRHFSA-N 0 0 426.509 5.024 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019761822 556905610 /nfs/dbraw/zinc/90/56/10/556905610.db2.gz DFPGCFXBBZYONE-DFBJGRDBSA-N 0 0 431.532 5.008 50 30 IKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000019762664 556907127 /nfs/dbraw/zinc/90/71/27/556907127.db2.gz PZLCEOCVSXGAHN-QHCPKHFHSA-N 0 0 437.923 5.060 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019830815 556926276 /nfs/dbraw/zinc/92/62/76/556926276.db2.gz JHTBJUSVJWSFGY-NLFFAJNJSA-N 0 0 433.523 5.387 50 30 IKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848678 556930378 /nfs/dbraw/zinc/93/03/78/556930378.db2.gz JXDCVZKEBIJJLD-XMMPIXPASA-N 0 0 449.978 5.730 50 30 IKEARN Brc1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019848778 556930472 /nfs/dbraw/zinc/93/04/72/556930472.db2.gz HYATVAXGRXVDKZ-LGUFXXKBSA-N 0 0 434.381 5.190 50 30 IKEARN C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019850197 556930533 /nfs/dbraw/zinc/93/05/33/556930533.db2.gz HNMUYMVHDZBDQL-OOAXWGSJSA-N 0 0 448.408 5.580 50 30 IKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019855330 556931133 /nfs/dbraw/zinc/93/11/33/556931133.db2.gz PUMHXNHZVUZKGS-NLFFAJNJSA-N 0 0 433.523 5.387 50 30 IKEARN CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccccc2)N(C[C@H]2CCCO2)C1=O ZINC000019881093 556936996 /nfs/dbraw/zinc/93/69/96/556936996.db2.gz SYSLHZGKUNLUIS-XUVMKFHYSA-N 0 0 442.968 5.522 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(O)ccc5ccccc54)c3c2C1 ZINC000019893678 556940060 /nfs/dbraw/zinc/94/00/60/556940060.db2.gz RJALSQWHMDZHMB-UDRPCTDCSA-N 0 0 444.604 6.537 50 30 IKEARN Cc1ccc(-c2nc(C#N)c(N=NCc3ccc(-c4cccc(C(F)(F)F)c4)o3)o2)cc1 ZINC000019927945 556945860 /nfs/dbraw/zinc/94/58/60/556945860.db2.gz SKTLUQBCDMVWEJ-QDTIIGTASA-N 0 0 436.393 6.247 50 30 IKEARN CC(C)(C)N=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(F)cc1F)C2 ZINC000097088240 556983638 /nfs/dbraw/zinc/98/36/38/556983638.db2.gz FWFPVRCPVAQXCR-HSZRJFAPSA-N 0 0 427.499 5.066 50 30 IKEARN CCCCCCCOc1ccc(/C=C2/SC(=S)N(/N=C/c3ccccc3)C2=O)cc1 ZINC000097959806 556986035 /nfs/dbraw/zinc/98/60/35/556986035.db2.gz COIIFHAEXFDIGO-FSRQGDLASA-N 0 0 438.618 6.271 50 30 IKEARN CCCCCCCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc21 ZINC000097960073 556986178 /nfs/dbraw/zinc/98/61/78/556986178.db2.gz YWUXYWZYOKCHAO-UHFFFAOYSA-N 0 0 444.663 8.169 50 30 IKEARN CN1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1 ZINC000020115449 556987082 /nfs/dbraw/zinc/98/70/82/556987082.db2.gz FAVOOEYXDNBGBH-OTYYAQKOSA-N 0 0 447.170 5.193 50 30 IKEARN COc1ccccc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2ccccc2OC)C1=O ZINC000020115391 556987176 /nfs/dbraw/zinc/98/71/76/556987176.db2.gz QETQTKNXDBHZSW-MUPYBJATSA-N 0 0 425.528 5.256 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc1 ZINC000097968993 556989609 /nfs/dbraw/zinc/98/96/09/556989609.db2.gz UTUOAPGFLFOGNJ-JWGURIENSA-N 0 0 443.012 6.971 50 30 IKEARN CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cn3)cc2)cc1 ZINC000097994385 557003151 /nfs/dbraw/zinc/00/31/51/557003151.db2.gz PHBZGGGDWKTDEL-UHFFFAOYSA-N 0 0 427.676 9.441 50 30 IKEARN CCCCCCCCCCOc1ccc(OC(=O)c2cccc(C(=O)OCC)n2)cc1 ZINC000097997041 557004157 /nfs/dbraw/zinc/00/41/57/557004157.db2.gz FAYQSQMHDXSTHR-UHFFFAOYSA-N 0 0 427.541 5.997 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000097998503 557004264 /nfs/dbraw/zinc/00/42/64/557004264.db2.gz QJTYKUKRSHAGKR-UHFFFAOYSA-N 0 0 430.552 5.732 50 30 IKEARN CCCCCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000097998506 557004313 /nfs/dbraw/zinc/00/43/13/557004313.db2.gz RHHLRXFSHMZSGW-UHFFFAOYSA-N 0 0 448.542 5.871 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(CCCC)cc3)OC2=O)cc1 ZINC000097998387 557004351 /nfs/dbraw/zinc/00/43/51/557004351.db2.gz QPJHLLMCIBVQMG-QLYXXIJNSA-N 0 0 433.592 7.113 50 30 IKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)cc1 ZINC000097997156 557004365 /nfs/dbraw/zinc/00/43/65/557004365.db2.gz WHGFKJJUGKEUNJ-GFMRDNFCSA-N 0 0 435.564 6.559 50 30 IKEARN CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000097997896 557004406 /nfs/dbraw/zinc/00/44/06/557004406.db2.gz MKPJCXUHQAICEA-PGMHBOJBSA-N 0 0 442.353 6.143 50 30 IKEARN CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC000097999361 557005198 /nfs/dbraw/zinc/00/51/98/557005198.db2.gz APAMUKPQYHNZEK-OAQYLSRUSA-N 0 0 433.596 6.316 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000032943166 557017202 /nfs/dbraw/zinc/01/72/02/557017202.db2.gz IVIIHUFQJGCCQU-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN CCOc1ccc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc1 ZINC000032943120 557017379 /nfs/dbraw/zinc/01/73/79/557017379.db2.gz HMLNMXGJPHIVKH-UHFFFAOYSA-N 0 0 432.568 5.274 50 30 IKEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943219 557017842 /nfs/dbraw/zinc/01/78/42/557017842.db2.gz AEHYHGDDEDSEAU-UHFFFAOYSA-N 0 0 442.538 5.673 50 30 IKEARN Cc1ccc(Cl)cc1NC(=NCCc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000032943247 557017860 /nfs/dbraw/zinc/01/78/60/557017860.db2.gz WIIWMTNHWABBJH-UHFFFAOYSA-N 0 0 436.968 5.441 50 30 IKEARN Cc1ccc(C)c(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1 ZINC000032943333 557018114 /nfs/dbraw/zinc/01/81/14/557018114.db2.gz YUEKEMCUJPMOMA-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1cccc(F)c1)NCCc1c[nH]c2ccccc12 ZINC000032943255 557018144 /nfs/dbraw/zinc/01/81/44/557018144.db2.gz QYMCVYZGJQUEPQ-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C(C)C)cc2)cc1 ZINC000032943362 557018166 /nfs/dbraw/zinc/01/81/66/557018166.db2.gz BQXIHNIKMFFWCD-UHFFFAOYSA-N 0 0 438.575 6.040 50 30 IKEARN COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)cc1 ZINC000032943334 557018233 /nfs/dbraw/zinc/01/82/33/557018233.db2.gz HQCNXJZLQRTNGT-UHFFFAOYSA-N 0 0 440.547 5.234 50 30 IKEARN Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1C ZINC000032943314 557018397 /nfs/dbraw/zinc/01/83/97/557018397.db2.gz DODWVDZKIRQCBI-UHFFFAOYSA-N 0 0 444.966 5.879 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1ccc(OC)cc1)NCCc1c[nH]c2ccccc12 ZINC000032943382 557018508 /nfs/dbraw/zinc/01/85/08/557018508.db2.gz OVZXLGSAJHEPFO-UHFFFAOYSA-N 0 0 440.547 5.180 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2F)cc1 ZINC000032943431 557018757 /nfs/dbraw/zinc/01/87/57/557018757.db2.gz XZTROISYUPPRHF-UHFFFAOYSA-N 0 0 444.510 5.146 50 30 IKEARN Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)cc1F ZINC000032943457 557019667 /nfs/dbraw/zinc/01/96/67/557019667.db2.gz MRVDOWZCNCGVGL-UHFFFAOYSA-N 0 0 442.538 5.673 50 30 IKEARN N#Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153751 557028854 /nfs/dbraw/zinc/02/88/54/557028854.db2.gz MLXLPJXXLUWVKC-UHFFFAOYSA-N 0 0 442.371 5.737 50 30 IKEARN CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1 ZINC000098021389 557029231 /nfs/dbraw/zinc/02/92/31/557029231.db2.gz GTDGCKWELWWFHZ-VWLOTQADSA-N 0 0 442.600 6.684 50 30 IKEARN Cc1cc(C)cc(NC(=NC(=O)c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)c1 ZINC000032946180 557030578 /nfs/dbraw/zinc/03/05/78/557030578.db2.gz XFXXSWPJCWOLTP-UHFFFAOYSA-N 0 0 446.982 5.387 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000032946339 557031322 /nfs/dbraw/zinc/03/13/22/557031322.db2.gz UMIZDNGQXPITIV-UHFFFAOYSA-N 0 0 432.955 5.079 50 30 IKEARN O=C(N=C(NCc1ccccn1)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000046125915 557038225 /nfs/dbraw/zinc/03/82/25/557038225.db2.gz JCYLEOQIPCONKS-UHFFFAOYSA-N 0 0 432.833 5.152 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000033271940 557050338 /nfs/dbraw/zinc/05/03/38/557050338.db2.gz ZAFFXVOVWVKUMI-UHFFFAOYSA-N 0 0 446.572 5.732 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2-c2ccccc2S1(=O)=O ZINC000033271922 557050372 /nfs/dbraw/zinc/05/03/72/557050372.db2.gz ZMEVESTVFNKVKQ-UHFFFAOYSA-N 0 0 438.936 5.262 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2ccccc2S1(=O)=O ZINC000033271919 557050441 /nfs/dbraw/zinc/05/04/41/557050441.db2.gz OKERYXQTTJFSCM-UHFFFAOYSA-N 0 0 438.936 5.262 50 30 IKEARN C=CCN1c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2ccccc2S1(=O)=O ZINC000033271932 557050446 /nfs/dbraw/zinc/05/04/46/557050446.db2.gz MFUVBYWVDQSJMM-UHFFFAOYSA-N 0 0 432.545 5.226 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000004742397 557066744 /nfs/dbraw/zinc/06/67/44/557066744.db2.gz PMBSWZWCNKVWLV-OLVLZXMISA-N 0 0 442.684 7.139 50 30 biogenic,in-vitro IKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000017467123 557090307 /nfs/dbraw/zinc/09/03/07/557090307.db2.gz LATHMBIBTZXTOU-CMTIAEDTSA-N 0 0 433.486 5.544 50 30 IKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(Cl)cc2)ccc1O ZINC000033321097 557105766 /nfs/dbraw/zinc/10/57/66/557105766.db2.gz LLUMZAUJCNOVHZ-QRQCRPRQSA-N 0 0 436.895 5.309 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)c(OC)c1)C2 ZINC000033321135 557105980 /nfs/dbraw/zinc/10/59/80/557105980.db2.gz QUFAHBDDTDEJPC-UPCLLVRISA-N 0 0 446.503 5.054 50 30 IKEARN CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1 ZINC000033321130 557106095 /nfs/dbraw/zinc/10/60/95/557106095.db2.gz IPAYWZFNFRISSR-XDHUDOTRSA-N 0 0 446.503 5.054 50 30 IKEARN CC1CCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)CC1 ZINC000033324473 557106434 /nfs/dbraw/zinc/10/64/34/557106434.db2.gz OWMIPINQEDPROX-UHFFFAOYSA-N 0 0 442.313 5.384 50 30 IKEARN C=CC/N=C/C1=C(Sc2ccccc2)c2sc(NC(C)=O)c(C(=O)OCC)c2CC1 ZINC000003139289 557114102 /nfs/dbraw/zinc/11/41/02/557114102.db2.gz JXPDJVCCSVRKKS-ZVHZXABRSA-N 0 0 440.590 5.590 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(C)cc1 ZINC000001118949 557121346 /nfs/dbraw/zinc/12/13/46/557121346.db2.gz RNOPMLLZRSFROK-UHFFFAOYSA-N 0 0 428.355 5.177 50 30 IKEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1Br ZINC000243901434 557124742 /nfs/dbraw/zinc/12/47/42/557124742.db2.gz BBKJJLUHLPKHEC-UHFFFAOYSA-N 0 0 428.142 5.185 50 30 IKEARN N#Cc1nc(/C=C/c2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000606422433 557125020 /nfs/dbraw/zinc/12/50/20/557125020.db2.gz FIAPKYDADLZZIE-VTJDKEBTSA-N 0 0 432.955 6.009 50 30 IKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017837455 557125143 /nfs/dbraw/zinc/12/51/43/557125143.db2.gz HZTRSTRWVNEPOR-XMMPIXPASA-N 0 0 446.616 5.960 50 30 IKEARN CCCCCCCCCC(=O)Oc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 ZINC000033354409 557130380 /nfs/dbraw/zinc/13/03/80/557130380.db2.gz BNYDKDMFTOSVQL-UHFFFAOYSA-N 0 0 438.656 8.093 50 30 biogenic IKEARN C#CCOc1cc(Br)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000002776227 557130615 /nfs/dbraw/zinc/13/06/15/557130615.db2.gz BVJODGJFCNGHAW-KRWDZBQOSA-N 0 0 436.305 5.097 50 30 IKEARN N#Cc1cccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCCC4)c1 ZINC000000664012 557131436 /nfs/dbraw/zinc/13/14/36/557131436.db2.gz YBRDUJKORYAWPT-UHFFFAOYSA-N 0 0 430.455 5.290 50 30 IKEARN CC[C@@H](C)Oc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O ZINC000000673083 557133487 /nfs/dbraw/zinc/13/34/87/557133487.db2.gz PNXJNSIYRDXNJQ-WGDIFIGCSA-N 0 0 432.564 6.027 50 30 IKEARN O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccc(Br)cc2)cc1 ZINC000003140542 557136228 /nfs/dbraw/zinc/13/62/28/557136228.db2.gz OSZCMIRKLTVHCW-NTFWDIDUSA-N 0 0 430.301 6.638 50 30 IKEARN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000000705084 557139672 /nfs/dbraw/zinc/13/96/72/557139672.db2.gz MGWXXKQXYKCYIH-DHRITJCHSA-N 0 0 447.585 6.100 50 30 IKEARN COc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OCc1ccccc1 ZINC000000706359 557140270 /nfs/dbraw/zinc/14/02/70/557140270.db2.gz JGKDQJWECCFLSK-UHFFFAOYSA-N 0 0 445.482 5.068 50 30 IKEARN C[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)c(Br)s3)sc2C1 ZINC000000714832 557147800 /nfs/dbraw/zinc/14/78/00/557147800.db2.gz QLMADRXMNAORFG-QVBAUOOPSA-N 0 0 444.217 6.082 50 30 IKEARN C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000011443899 557148366 /nfs/dbraw/zinc/14/83/66/557148366.db2.gz QWFFKKSBMLZNHD-ZDUSSCGKSA-N 0 0 430.888 5.186 50 30 IKEARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000024805873 557148491 /nfs/dbraw/zinc/14/84/91/557148491.db2.gz LUUKTEQVRADNMB-UHFFFAOYSA-N 0 0 429.545 5.037 50 30 IKEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000016393633 557150798 /nfs/dbraw/zinc/15/07/98/557150798.db2.gz QBOBMTBXBZBAST-HOYKHHGWSA-N 0 0 441.556 5.143 50 30 IKEARN COc1ccc(Br)cc1[C@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2 ZINC000016425619 557151564 /nfs/dbraw/zinc/15/15/64/557151564.db2.gz HWWCDOGJKRIFQE-QFIPXVFZSA-N 0 0 435.321 5.570 50 30 IKEARN Cc1ccccc1C(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000095725687 557160250 /nfs/dbraw/zinc/16/02/50/557160250.db2.gz BNNZOZQCBDRVCH-UHFFFAOYSA-N 0 0 444.297 5.677 50 30 IKEARN N#Cc1c(NC(=O)c2cccs2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000000728972 557162479 /nfs/dbraw/zinc/16/24/79/557162479.db2.gz CTZROLIJCRVSTP-UHFFFAOYSA-N 0 0 449.535 6.649 50 30 aggregator IKEARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000000751970 557168221 /nfs/dbraw/zinc/16/82/21/557168221.db2.gz YFZFDLMPFJTDOG-RUZDIDTESA-N 0 0 430.529 5.127 50 30 IKEARN N#Cc1ccc(NC(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)cc1 ZINC000000759350 557168251 /nfs/dbraw/zinc/16/82/51/557168251.db2.gz BKORDFSRCDPVPG-UHFFFAOYSA-N 0 0 441.800 5.192 50 30 IKEARN Cn1c2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2n(C)c1=O ZINC000000756561 557170104 /nfs/dbraw/zinc/17/01/04/557170104.db2.gz ZXFAIFYZBLBLBA-SANMLTNESA-N 0 0 437.543 5.340 50 30 IKEARN Cc1ccc(-c2cc(C)nc(SCC(=O)c3ccc(Br)cc3)c2C#N)o1 ZINC000000756955 557170369 /nfs/dbraw/zinc/17/03/69/557170369.db2.gz SNGSTUWRBYHAOY-UHFFFAOYSA-N 0 0 427.323 5.568 50 30 IKEARN Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc2n1C ZINC000109341088 557171407 /nfs/dbraw/zinc/17/14/07/557171407.db2.gz IDOLUSWFEQDZEN-JVWAILMASA-N 0 0 433.621 6.240 50 30 IKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1OC ZINC000000781125 557176418 /nfs/dbraw/zinc/17/64/18/557176418.db2.gz AMBPRWLLGRGDJA-NGOKVRLYSA-N 0 0 440.543 5.992 50 30 IKEARN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl ZINC000009261118 557184317 /nfs/dbraw/zinc/18/43/17/557184317.db2.gz SZUZKSTWQKRNOX-UHFFFAOYSA-N 0 0 447.391 5.302 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccco1 ZINC000009306085 557186089 /nfs/dbraw/zinc/18/60/89/557186089.db2.gz QLOPBKFCUXDSDD-UHFFFAOYSA-N 0 0 443.743 5.415 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009667598 557192350 /nfs/dbraw/zinc/19/23/50/557192350.db2.gz LSQVSVPJWIFTCF-UHFFFAOYSA-N 0 0 442.903 5.401 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 ZINC000100856130 557192709 /nfs/dbraw/zinc/19/27/09/557192709.db2.gz DUDANSXBYVGRLT-XLNRJJMWSA-N 0 0 441.618 6.537 50 30 IKEARN C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1 ZINC000011614470 557208871 /nfs/dbraw/zinc/20/88/71/557208871.db2.gz NHXYJGNGNZQUMD-YVNQKZIZSA-N 0 0 439.511 6.953 50 30 IKEARN N#Cc1c(/N=C/N2CCOCC2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000100986682 557210301 /nfs/dbraw/zinc/21/03/01/557210301.db2.gz WWENXMDAEOVSAZ-ZTKZIYFRSA-N 0 0 436.515 5.327 50 30 IKEARN O=C1CCCC2=C1C(c1ccc(-c3cccc(C(F)(F)F)c3)o1)C1=C(CCCC1=O)N2 ZINC000025539530 557213840 /nfs/dbraw/zinc/21/38/40/557213840.db2.gz RRVRAHXQUBLXSE-UHFFFAOYSA-N 0 0 427.422 5.666 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(C(=O)OC)cc4)c3c2C1 ZINC000025559697 557214407 /nfs/dbraw/zinc/21/44/07/557214407.db2.gz KGDVACCFUJRFCB-BMAFUFKNSA-N 0 0 436.581 5.465 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(C(=O)OC)cc4)c3c2C1 ZINC000025559693 557214411 /nfs/dbraw/zinc/21/44/11/557214411.db2.gz KGDVACCFUJRFCB-JAGRMCENSA-N 0 0 436.581 5.465 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc5ccccc5c4)c3c2C1 ZINC000025559701 557214436 /nfs/dbraw/zinc/21/44/36/557214436.db2.gz CKEDGCDUCJJIIR-BKXZIFFXSA-N 0 0 442.632 7.222 50 30 IKEARN CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000023316040 557214567 /nfs/dbraw/zinc/21/45/67/557214567.db2.gz JUEYLDNZUUGORI-VWLOTQADSA-N 0 0 436.577 5.394 50 30 IKEARN CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000023317903 557216301 /nfs/dbraw/zinc/21/63/01/557216301.db2.gz JYLIWRGJNUBFLL-VWLOTQADSA-N 0 0 436.577 5.394 50 30 IKEARN COc1ccc(C(=O)CSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)cc1OC ZINC000000803990 557218351 /nfs/dbraw/zinc/21/83/51/557218351.db2.gz AYVYJFNGADIMAF-UHFFFAOYSA-N 0 0 438.471 5.262 50 30 IKEARN CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1 ZINC000097466958 557218860 /nfs/dbraw/zinc/21/88/60/557218860.db2.gz RTLJLZDGBLFTKC-WRKLRJIISA-N 0 0 426.538 5.117 50 30 IKEARN CCN1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1 ZINC000025762103 557224881 /nfs/dbraw/zinc/22/48/81/557224881.db2.gz YWXFWSSWXFFSNG-UTLPMFLDSA-N 0 0 441.185 6.672 50 30 IKEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000101074827 557225273 /nfs/dbraw/zinc/22/52/73/557225273.db2.gz MFSNZNWQDYIEIF-XSFVSMFZSA-N 0 0 434.289 5.373 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Br)cc2)c1CCC#N ZINC000025783371 557226098 /nfs/dbraw/zinc/22/60/98/557226098.db2.gz UJVAMVWZUFFIKX-UHFFFAOYSA-N 0 0 430.309 5.630 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000809047 557228268 /nfs/dbraw/zinc/22/82/68/557228268.db2.gz CETRNPAQZPQUDJ-VWLOTQADSA-N 0 0 442.471 5.786 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000809046 557228320 /nfs/dbraw/zinc/22/83/20/557228320.db2.gz CETRNPAQZPQUDJ-RUZDIDTESA-N 0 0 442.471 5.786 50 30 IKEARN Cc1ccc(N=C2SC(=NN=Cc3ccccc3O)N=C2Nc2ccc(C)cc2)cc1 ZINC000097944554 557229988 /nfs/dbraw/zinc/22/99/88/557229988.db2.gz QUQPMXIGAFXLML-GSGFKCGZSA-N 0 0 427.533 5.496 50 30 IKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000097950698 557230617 /nfs/dbraw/zinc/23/06/17/557230617.db2.gz AWTHZKFPTUSFIU-HNNXBMFYSA-N 0 0 442.815 5.285 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(OC)cc2)cc1 ZINC000100034547 557238394 /nfs/dbraw/zinc/23/83/94/557238394.db2.gz IKPWQALGELDMHO-UHFFFAOYSA-N 0 0 442.600 6.415 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000100034584 557238408 /nfs/dbraw/zinc/23/84/08/557238408.db2.gz NGXUWLYJSMSUJJ-UHFFFAOYSA-N 0 0 444.619 8.517 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000100058914 557239110 /nfs/dbraw/zinc/23/91/10/557239110.db2.gz KJGSPWJKVJURLX-OAQYLSRUSA-N 0 0 426.601 7.097 50 30 IKEARN CCCCCCCCCCCC[C@@H]1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O ZINC000100071205 557239869 /nfs/dbraw/zinc/23/98/69/557239869.db2.gz VXTRPEFUPWORNH-JOCHJYFZSA-N 0 0 448.692 6.241 50 30 IKEARN CC(C)c1ccc(/N=C2/c3cc(Br)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000100163357 557245509 /nfs/dbraw/zinc/24/55/09/557245509.db2.gz ILNFIRIPCIGYAA-PNHLSOANSA-N 0 0 447.376 6.283 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000018179087 557246010 /nfs/dbraw/zinc/24/60/10/557246010.db2.gz VUXPEMRNQDGDKF-PIKZIKFNSA-N 0 0 440.518 6.055 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)s1 ZINC000018196065 557247925 /nfs/dbraw/zinc/24/79/25/557247925.db2.gz LVCOHLVMHISJGW-UHFFFAOYSA-N 0 0 435.383 5.911 50 30 IKEARN C=CCOc1ccc([C@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1 ZINC000018196904 557248319 /nfs/dbraw/zinc/24/83/19/557248319.db2.gz VVZJJOOVIGABQJ-VWLOTQADSA-N 0 0 426.516 5.336 50 30 IKEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196408 557248345 /nfs/dbraw/zinc/24/83/45/557248345.db2.gz OSLRUHKYCJWBAF-FVMDXXJSSA-N 0 0 432.332 5.442 50 30 IKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000018196609 557248438 /nfs/dbraw/zinc/24/84/38/557248438.db2.gz YTTZVWJKAJHGPI-DEOSSOPVSA-N 0 0 449.510 5.522 50 30 IKEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2 ZINC000018197132 557248806 /nfs/dbraw/zinc/24/88/06/557248806.db2.gz ZETNUWLLGHAJBB-HSZRJFAPSA-N 0 0 439.342 6.078 50 30 IKEARN COc1cc2c(c(OC)c1)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 ZINC000018199345 557251096 /nfs/dbraw/zinc/25/10/96/557251096.db2.gz IWUHSSUOZXNABM-IBGZPJMESA-N 0 0 432.289 5.170 50 30 IKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018199723 557251181 /nfs/dbraw/zinc/25/11/81/557251181.db2.gz VLYFPWGBPONZCI-UUOWRZLLSA-N 0 0 438.556 5.595 50 30 IKEARN Cc1ccc(-c2nc(N=NCc3ccc(O)cc3)sc2NC(=O)c2ccccc2)cc1 ZINC000027015998 557253916 /nfs/dbraw/zinc/25/39/16/557253916.db2.gz PRLGQWVAXSSDPZ-MFKUBSTISA-N 0 0 428.517 5.522 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000101095254 557254386 /nfs/dbraw/zinc/25/43/86/557254386.db2.gz BMJZRDCNJYOZLV-PYCFMQQDSA-N 0 0 431.667 6.960 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOCCCCCCCC ZINC000100285230 557256500 /nfs/dbraw/zinc/25/65/00/557256500.db2.gz GLKHOPCHMDXEEH-UHFFFAOYSA-N 0 0 439.769 8.741 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2Cl)cc1 ZINC000100283752 557256504 /nfs/dbraw/zinc/25/65/04/557256504.db2.gz MTGIOMXUPRXOHO-UHFFFAOYSA-N 0 0 447.019 7.060 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccc(OC)cc1 ZINC000100285238 557256577 /nfs/dbraw/zinc/25/65/77/557256577.db2.gz BABHRLCGRKQWSP-UHFFFAOYSA-N 0 0 433.677 7.452 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2OC)cc1 ZINC000100282453 557256594 /nfs/dbraw/zinc/25/65/94/557256594.db2.gz DHLNUGKFHYEIJP-UHFFFAOYSA-N 0 0 442.600 6.415 50 30 IKEARN O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000100323262 557257786 /nfs/dbraw/zinc/25/77/86/557257786.db2.gz LRZMINYCHKGPFT-MEPGZJLCSA-N 0 0 443.503 5.829 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000100418548 557260064 /nfs/dbraw/zinc/26/00/64/557260064.db2.gz OJVLJJZJOORUKG-IBGZPJMESA-N 0 0 434.879 5.186 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100414658 557260137 /nfs/dbraw/zinc/26/01/37/557260137.db2.gz VJVHKTKWGJZVPO-AHKZPQOWSA-N 0 0 431.535 6.396 50 30 IKEARN Clc1ccc(-c2nc3ccc(/N=C/c4cc5c(cc4Cl)OCO5)cc3o2)cc1Cl ZINC000100501518 557262287 /nfs/dbraw/zinc/26/22/87/557262287.db2.gz WQIOQJZAWYMGFX-YCPBAFNGSA-N 0 0 445.689 6.934 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C/c1cccs1 ZINC000100490960 557262342 /nfs/dbraw/zinc/26/23/42/557262342.db2.gz HVGXDJIYCGJBDN-UDJHQSBFSA-N 0 0 448.547 5.785 50 30 IKEARN COc1ccc(Br)c(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O ZINC000100504883 557262699 /nfs/dbraw/zinc/26/26/99/557262699.db2.gz YWIDBSWEKJUWMH-YDZHTSKRSA-N 0 0 425.282 5.166 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1 ZINC000101226865 557263773 /nfs/dbraw/zinc/26/37/73/557263773.db2.gz WMOZZLXNNLEPKD-OVJLLXBISA-N 0 0 434.348 5.140 50 30 IKEARN COc1cccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1OC ZINC000027533679 557264506 /nfs/dbraw/zinc/26/45/06/557264506.db2.gz PFLQXVZPPGZHEZ-OVCLIPMQSA-N 0 0 442.846 5.268 50 30 IKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F ZINC000100557861 557264592 /nfs/dbraw/zinc/26/45/92/557264592.db2.gz MWMIJAWLJKOUTF-CJAUYULYSA-N 0 0 449.522 5.149 50 30 IKEARN O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccccc1 ZINC000100563244 557264796 /nfs/dbraw/zinc/26/47/96/557264796.db2.gz FNNVCCZQMAKZSJ-DPBVUEIWSA-N 0 0 442.518 5.724 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000027547478 557265201 /nfs/dbraw/zinc/26/52/01/557265201.db2.gz YGEOQAWOJJVWSR-OAQYLSRUSA-N 0 0 444.428 5.451 50 30 IKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000100611975 557266009 /nfs/dbraw/zinc/26/60/09/557266009.db2.gz PFQDBCCUCKOIFO-INIZCTEOSA-N 0 0 438.852 5.454 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(Br)cc1 ZINC000101284418 557267378 /nfs/dbraw/zinc/26/73/78/557267378.db2.gz HYFINDSUFXJXER-IBGZPJMESA-N 0 0 447.377 5.233 50 30 IKEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc(Br)c1 ZINC000101284697 557267638 /nfs/dbraw/zinc/26/76/38/557267638.db2.gz XVOQWIZSIDMNCI-IBGZPJMESA-N 0 0 447.377 5.233 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 ZINC000101285122 557267671 /nfs/dbraw/zinc/26/76/71/557267671.db2.gz DQHQGHHKZDCYJW-VWLOTQADSA-N 0 0 446.595 5.905 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1OCC ZINC000101285168 557267838 /nfs/dbraw/zinc/26/78/38/557267838.db2.gz AIUDAQDZMIUZIS-VWLOTQADSA-N 0 0 447.579 6.238 50 30 IKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1OCC ZINC000101285166 557267973 /nfs/dbraw/zinc/26/79/73/557267973.db2.gz AIUDAQDZMIUZIS-RUZDIDTESA-N 0 0 447.579 6.238 50 30 IKEARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)Nc1ccccc1C#N ZINC000011021912 557269230 /nfs/dbraw/zinc/26/92/30/557269230.db2.gz JPMOLIKQJUFYDQ-CYBMUJFWSA-N 0 0 432.471 5.456 50 30 IKEARN CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 ZINC000000826386 557270356 /nfs/dbraw/zinc/27/03/56/557270356.db2.gz NPRCYLGGABEMQH-ZMOGYAJESA-N 0 0 436.309 5.780 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Br)cc1 ZINC000000830031 557272702 /nfs/dbraw/zinc/27/27/02/557272702.db2.gz DGVQUIVMQBNTKQ-TZIWHRDSSA-N 0 0 434.333 5.491 50 30 IKEARN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)Nc1ccccc1-2 ZINC000100792561 557276239 /nfs/dbraw/zinc/27/62/39/557276239.db2.gz QCUABLRJAKZXDL-FQEVSTJZSA-N 0 0 426.611 6.474 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(-c2cc(=O)n(C)n2C)cc1 ZINC000100813107 557276430 /nfs/dbraw/zinc/27/64/30/557276430.db2.gz SNLJVPGSYSHNPJ-UHFFFAOYSA-N 0 0 428.661 7.251 50 30 IKEARN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100959293 557280080 /nfs/dbraw/zinc/28/00/80/557280080.db2.gz FJNMRFSIFOTQDI-GOTSBPSXSA-N 0 0 443.528 5.054 50 30 IKEARN O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC000101400740 557280126 /nfs/dbraw/zinc/28/01/26/557280126.db2.gz IWKBJNPPADJZCC-UHFFFAOYSA-N 0 0 435.274 5.440 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000101014022 557281165 /nfs/dbraw/zinc/28/11/65/557281165.db2.gz ABLUJDWBVAMHQJ-UHFFFAOYSA-N 0 0 431.539 8.474 50 30 IKEARN CCCCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2[nH]1 ZINC000101015309 557281455 /nfs/dbraw/zinc/28/14/55/557281455.db2.gz PBSVARYGNXLKEB-UHFFFAOYSA-N 0 0 432.674 7.680 50 30 IKEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(OCCCC)c(OCC)c2)o1 ZINC000101411357 557284375 /nfs/dbraw/zinc/28/43/75/557284375.db2.gz LFLKGGQHEVPVQW-NLRVBDNBSA-N 0 0 426.561 6.083 50 30 IKEARN Cc1ccc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000000830371 557286240 /nfs/dbraw/zinc/28/62/40/557286240.db2.gz OQZASONRRBHPCD-PFBJBMPXSA-N 0 0 429.523 5.588 50 30 IKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000101315501 557290064 /nfs/dbraw/zinc/29/00/64/557290064.db2.gz JNAAZPVXVYVNER-PEECDGGASA-N 0 0 431.319 5.224 50 30 IKEARN CCOC(=O)c1sc2c(c1C)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000014066217 557295032 /nfs/dbraw/zinc/29/50/32/557295032.db2.gz ZCBFXFOIOCFPBC-IBGZPJMESA-N 0 0 439.533 5.163 50 30 IKEARN CCCCCCCCCCCCS(=O)(=O)N/N=C1/N(CC)c2ccccc2C1(C)C ZINC000102096065 557298954 /nfs/dbraw/zinc/29/89/54/557298954.db2.gz DOHUPDBBIHLCMC-WJTDDFOZSA-N 0 0 435.678 5.958 50 30 IKEARN Cc1cc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)ccc1Br ZINC000100101038 557298965 /nfs/dbraw/zinc/29/89/65/557298965.db2.gz RIABNPBZNAIZIF-BRJLIKDPSA-N 0 0 432.720 6.880 50 30 IKEARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ccc(C#N)cc1 ZINC000014085575 557299036 /nfs/dbraw/zinc/29/90/36/557299036.db2.gz LINMLGBTERPYEX-UHFFFAOYSA-N 0 0 440.934 5.396 50 30 IKEARN Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102417610 557301874 /nfs/dbraw/zinc/30/18/74/557301874.db2.gz XONFRYCWKCCEQZ-DHRITJCHSA-N 0 0 433.851 6.306 50 30 IKEARN COc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000102417224 557301900 /nfs/dbraw/zinc/30/19/00/557301900.db2.gz UBRRZMIJUNROLO-AFUMVMLFSA-N 0 0 449.304 6.207 50 30 IKEARN CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C3OCCO3)c2)cc1 ZINC000102453870 557302440 /nfs/dbraw/zinc/30/24/40/557302440.db2.gz OWDSEBUYFVQYLU-UHFFFAOYSA-N 0 0 440.584 6.896 50 30 IKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC000102643499 557304597 /nfs/dbraw/zinc/30/45/97/557304597.db2.gz IVLPLGXVTUYFOW-PZGXJGMVSA-N 0 0 438.571 6.479 50 30 IKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C=CNc1ccc(Br)cc1 ZINC000100109130 557304808 /nfs/dbraw/zinc/30/48/08/557304808.db2.gz FXWLSQIMOYUMDX-ZHACJKMWSA-N 0 0 433.758 6.343 50 30 IKEARN COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@H](c3ccccc3)C2)cc1 ZINC000102960395 557311088 /nfs/dbraw/zinc/31/10/88/557311088.db2.gz KYNOUCMSUPMWLO-BJKOFHAPSA-N 0 0 427.504 5.128 50 30 IKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002842043 557313421 /nfs/dbraw/zinc/31/34/21/557313421.db2.gz MQCUGHOMRDCERI-OAQYLSRUSA-N 0 0 444.512 5.181 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000103151172 557313510 /nfs/dbraw/zinc/31/35/10/557313510.db2.gz YWMICQGFRCHBFS-QHZZAZJUSA-N 0 0 439.540 5.459 50 30 IKEARN Cc1cccc(N=C2C=C(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 ZINC000103321585 557314664 /nfs/dbraw/zinc/31/46/64/557314664.db2.gz BBXRIIAIOYPUKD-QLYXXIJNSA-N 0 0 436.920 5.019 50 30 IKEARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2c(c1)OCCO2 ZINC000100117644 557314956 /nfs/dbraw/zinc/31/49/56/557314956.db2.gz VHXBRGQYPOBSKD-YBNBZSSTSA-N 0 0 438.527 5.414 50 30 IKEARN O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Br)cc2)sc2c1CCCC2 ZINC000103583441 557316747 /nfs/dbraw/zinc/31/67/47/557316747.db2.gz PGQWBKKVGGWYCG-OYKKKHCWSA-N 0 0 439.378 6.392 50 30 IKEARN O=c1c(C=[NH+]C2CCCCCCC2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000102261300 557316948 /nfs/dbraw/zinc/31/69/48/557316948.db2.gz LCOQGMQPGYDEEH-YZSQISJMSA-N 0 0 430.577 5.974 50 30 IKEARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103760945 557318230 /nfs/dbraw/zinc/31/82/30/557318230.db2.gz IUCQQKDEQJTAID-BHGWPJFGSA-N 0 0 431.404 5.199 50 30 IKEARN CCc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCc1c(C)nn(CC)c1C ZINC000032971694 557319508 /nfs/dbraw/zinc/31/95/08/557319508.db2.gz FMOZUCSJFIJFRS-UHFFFAOYSA-N 0 0 437.975 5.134 50 30 IKEARN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1OC ZINC000002815604 557325524 /nfs/dbraw/zinc/32/55/24/557325524.db2.gz RSMVCGOMBPLBOA-HKWRFOASSA-N 0 0 443.952 5.583 50 30 IKEARN N#Cc1cccc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)c1 ZINC000014242605 557327765 /nfs/dbraw/zinc/32/77/65/557327765.db2.gz MOEWTDMLSRXXEF-UHFFFAOYSA-N 0 0 446.601 5.092 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102483599 557330716 /nfs/dbraw/zinc/33/07/16/557330716.db2.gz PBFONPZZAZUSLC-ZHHPLPSFSA-N 0 0 426.516 5.314 50 30 IKEARN CCCCC(NCCc1c(C)[nH]c2ccccc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100146924 557335182 /nfs/dbraw/zinc/33/51/82/557335182.db2.gz GWZIXCSOKOIGMM-UHFFFAOYSA-N 0 0 428.576 5.769 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2)cc1 ZINC000102495652 557335636 /nfs/dbraw/zinc/33/56/36/557335636.db2.gz NWZPFVLGNMYBSF-MRJHHRETSA-N 0 0 426.497 5.231 50 30 IKEARN COc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C ZINC000000838409 557339755 /nfs/dbraw/zinc/33/97/55/557339755.db2.gz FQLGDXDFPWGNGF-UHFFFAOYSA-N 0 0 425.897 5.095 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C ZINC000102520857 557352656 /nfs/dbraw/zinc/35/26/56/557352656.db2.gz IGKKIKNXSKMWIB-HOGKFDNTSA-N 0 0 446.572 5.818 50 30 IKEARN Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)nc3sc4c(c32)CCC4)cc1 ZINC000023406861 557352823 /nfs/dbraw/zinc/35/28/23/557352823.db2.gz HMDBGICISPUTHV-HNNXBMFYSA-N 0 0 436.606 5.224 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1 ZINC000102527632 557353778 /nfs/dbraw/zinc/35/37/78/557353778.db2.gz YLYSEOKMGHQHQR-LFVOPCPISA-N 0 0 432.526 5.293 50 30 IKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102586965 557356111 /nfs/dbraw/zinc/35/61/11/557356111.db2.gz QCSDCGJXIZDHRH-MOBKVPTQSA-N 0 0 449.934 5.852 50 30 IKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102603013 557358248 /nfs/dbraw/zinc/35/82/48/557358248.db2.gz JGIXGZPRIAAVOA-MOBKVPTQSA-N 0 0 432.907 5.032 50 30 IKEARN COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)n2)c1 ZINC000023461295 557360906 /nfs/dbraw/zinc/36/09/06/557360906.db2.gz LKDSIEBIFOSULW-UHFFFAOYSA-N 0 0 435.483 5.557 50 30 IKEARN Cc1ccc(-c2ccc(CCC(=O)NCc3ccco3)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023455051 557362189 /nfs/dbraw/zinc/36/21/89/557362189.db2.gz LHCPFFMJPSMLJS-UHFFFAOYSA-N 0 0 437.543 5.669 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000102667368 557362673 /nfs/dbraw/zinc/36/26/73/557362673.db2.gz XSBXVKJSHYYEQI-AYWGPLOBSA-N 0 0 437.536 5.014 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000102693934 557364566 /nfs/dbraw/zinc/36/45/66/557364566.db2.gz FBLPMMQKFOSGMI-NHFXJNLRSA-N 0 0 448.500 5.288 50 30 IKEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1 ZINC000044167710 557365247 /nfs/dbraw/zinc/36/52/47/557365247.db2.gz NTNLPAHRLIVOKJ-UHFFFAOYSA-N 0 0 442.563 5.484 50 30 IKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102705128 557366032 /nfs/dbraw/zinc/36/60/32/557366032.db2.gz ILMUDAQOQIFPLP-ZHHPLPSFSA-N 0 0 442.515 5.014 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102706628 557366841 /nfs/dbraw/zinc/36/68/41/557366841.db2.gz DHLXSACORIPVNB-MOBKVPTQSA-N 0 0 430.504 5.215 50 30 IKEARN COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O ZINC000524730585 557369151 /nfs/dbraw/zinc/36/91/51/557369151.db2.gz OFKGYDCNJYZQLI-CWGWECIMSA-N 0 0 441.483 5.622 50 30 biogenic IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000102728712 557370511 /nfs/dbraw/zinc/37/05/11/557370511.db2.gz YQYVRQNEOWQWCO-AYWGPLOBSA-N 0 0 442.471 5.479 50 30 IKEARN CCOc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000100223297 557372008 /nfs/dbraw/zinc/37/20/08/557372008.db2.gz BKSBJZRIXRIOKB-LMTJQJACSA-N 0 0 444.556 5.464 50 30 IKEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102714329 557374451 /nfs/dbraw/zinc/37/44/51/557374451.db2.gz FFAXGXFFLXBTER-MRJHHRETSA-N 0 0 434.467 5.046 50 30 IKEARN COc1cc(C(=O)/C(=C\c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000033920711 557384037 /nfs/dbraw/zinc/38/40/37/557384037.db2.gz XGLXGSZNGFDZKV-CPNJWEJPSA-N 0 0 429.472 5.586 50 30 IKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 ZINC000003113203 557385139 /nfs/dbraw/zinc/38/51/39/557385139.db2.gz COCYCKVUHGDJMU-BRJLIKDPSA-N 0 0 425.271 6.339 50 30 IKEARN N#Cc1c(SC/C=C\c2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000102784832 557387887 /nfs/dbraw/zinc/38/78/87/557387887.db2.gz IDFYAPSUCOWTBB-YWEYNIOJSA-N 0 0 428.557 7.293 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102799496 557389895 /nfs/dbraw/zinc/38/98/95/557389895.db2.gz OHNABPLQJBPFML-JBCNATCCSA-N 0 0 448.544 5.292 50 30 IKEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102802891 557391296 /nfs/dbraw/zinc/39/12/96/557391296.db2.gz LIPAXNJFABKUHE-SELCWUDQSA-N 0 0 445.327 5.072 50 30 IKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)N2CC)cc1 ZINC000100259607 557396173 /nfs/dbraw/zinc/39/61/73/557396173.db2.gz VSSYOJGSZNFLTL-GOESLVMASA-N 0 0 446.576 5.512 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000102873916 557396246 /nfs/dbraw/zinc/39/62/46/557396246.db2.gz DDQXZYQKEWLMJM-JBCNATCCSA-N 0 0 444.487 5.370 50 30 IKEARN C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccc(C)c1 ZINC000013955925 557397780 /nfs/dbraw/zinc/39/77/80/557397780.db2.gz MMXCMHHSPYZXCI-UHFFFAOYSA-N 0 0 440.572 5.897 50 30 IKEARN COc1cc(/C=C2/CC/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC ZINC000033437939 557397937 /nfs/dbraw/zinc/39/79/37/557397937.db2.gz SIGQVFHJILUFKR-DUGOVBPYSA-N 0 0 449.330 5.858 50 30 IKEARN O=C1N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]([NH+]2CCCC2)C12CCCCC2 ZINC000033435809 557398015 /nfs/dbraw/zinc/39/80/15/557398015.db2.gz WOMTWXKWWUQOJQ-ISNHSLPUSA-N 0 0 445.651 5.815 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102859685 557399813 /nfs/dbraw/zinc/39/98/13/557399813.db2.gz UWMZZDQZVQILKT-JBCNATCCSA-N 0 0 448.862 5.183 50 30 IKEARN Cc1ccc(CN2c3ccccc3C(=NNc3c(Cl)cc(Cl)cc3Cl)C2=O)cc1 ZINC000100322671 557399937 /nfs/dbraw/zinc/39/99/37/557399937.db2.gz CUYMDWRPOWQJBT-LHLOQNFPSA-N 0 0 444.749 6.318 50 30 IKEARN O=C(Nc1ccc(Cl)cc1)C(N=Nc1ccc(Cl)cc1)=NNc1ccc(Cl)cc1 ZINC000100401549 557402044 /nfs/dbraw/zinc/40/20/44/557402044.db2.gz LRVSHCOCHAACCB-WYKZTKDVSA-N 0 0 446.725 6.795 50 30 IKEARN O=C(C=CNc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000100401627 557402095 /nfs/dbraw/zinc/40/20/95/557402095.db2.gz QGNAOXHJIRRLGN-ZHACJKMWSA-N 0 0 432.734 7.034 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102862254 557402861 /nfs/dbraw/zinc/40/28/61/557402861.db2.gz IUMNLIPDPAHJGZ-AYWGPLOBSA-N 0 0 431.488 5.034 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102865455 557404262 /nfs/dbraw/zinc/40/42/62/557404262.db2.gz OQGFORKXTOCTTI-MRJHHRETSA-N 0 0 444.487 5.370 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000102866508 557404335 /nfs/dbraw/zinc/40/43/35/557404335.db2.gz SBBXHXHFEBWASW-YDJIHCHBSA-N 0 0 430.460 5.062 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000102882307 557408368 /nfs/dbraw/zinc/40/83/68/557408368.db2.gz RNPXVCHPKMMSBO-OYHNWAKOSA-N 0 0 427.887 6.469 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102925308 557409754 /nfs/dbraw/zinc/40/97/54/557409754.db2.gz YZYOGDQIWSWHSP-JBCNATCCSA-N 0 0 448.544 5.093 50 30 IKEARN COc1cc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc(OC)c1OC ZINC000102926262 557410112 /nfs/dbraw/zinc/41/01/12/557410112.db2.gz RGTFLSSVQLDBIG-OAQYLSRUSA-N 0 0 445.515 5.490 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C ZINC000102927746 557410376 /nfs/dbraw/zinc/41/03/76/557410376.db2.gz XFPDXDFVYXJGAY-MRJHHRETSA-N 0 0 446.572 5.684 50 30 IKEARN Oc1ccc(/N=C/C=C/c2cccc(Br)c2)cc1-c1nc2ccccc2s1 ZINC000100497211 557410560 /nfs/dbraw/zinc/41/05/60/557410560.db2.gz AZIFYQDMFJNOQK-UAZDYKOFSA-N 0 0 435.346 6.847 50 30 IKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000033554776 557411142 /nfs/dbraw/zinc/41/11/42/557411142.db2.gz YXTPEHBSPSFMKJ-ZRBLBEILSA-N 0 0 425.488 5.171 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl ZINC000102930994 557412589 /nfs/dbraw/zinc/41/25/89/557412589.db2.gz HJHGJWDSOMTVAL-MRJHHRETSA-N 0 0 438.310 5.928 50 30 IKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)nc2c(C)c1 ZINC000102932773 557413080 /nfs/dbraw/zinc/41/30/80/557413080.db2.gz RLERMIWFBYDRCK-ASBZNUFUSA-N 0 0 430.485 5.132 50 30 IKEARN N#Cc1c2c(sc1NC(=O)Cc1csc(-c3ccc(Cl)cc3Cl)n1)CCC2 ZINC000061111995 557413225 /nfs/dbraw/zinc/41/32/25/557413225.db2.gz XXBKCSXNILFYCM-UHFFFAOYSA-N 0 0 434.373 5.720 50 30 IKEARN NC1=C(c2nc3ccccc3s2)C(=O)[C@@H](c2ccccc2)N1CCc1ccc(Cl)cc1 ZINC000102948889 557413637 /nfs/dbraw/zinc/41/36/37/557413637.db2.gz BFEJYERATGLZED-JOCHJYFZSA-N 0 0 445.975 5.446 50 30 IKEARN CCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)CC1CCCCC1 ZINC000102999677 557415132 /nfs/dbraw/zinc/41/51/32/557415132.db2.gz RAQOUSHRGVONMY-UHFFFAOYSA-N 0 0 433.637 6.251 50 30 IKEARN CCCCCCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1cc(C)on1 ZINC000103000683 557415178 /nfs/dbraw/zinc/41/51/78/557415178.db2.gz RVKJHBUCMVHTMB-UHFFFAOYSA-N 0 0 435.653 6.497 50 30 IKEARN CCCCCCCCCCCCCC(=O)NCc1ccc(-c2ccccc2)c2ccncc12 ZINC000103000854 557415181 /nfs/dbraw/zinc/41/51/81/557415181.db2.gz QSVIOXVEEQGFTL-UHFFFAOYSA-N 0 0 444.663 8.219 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(C)C ZINC000102990942 557415648 /nfs/dbraw/zinc/41/56/48/557415648.db2.gz YFTABQKCPPTMNK-UHFFFAOYSA-N 0 0 446.632 6.014 50 30 IKEARN CCCCCCCC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)CC)cc1 ZINC000102991553 557415731 /nfs/dbraw/zinc/41/57/31/557415731.db2.gz UMCXXWZUXHLONC-UHFFFAOYSA-N 0 0 449.588 5.444 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C1CC1 ZINC000102991135 557415734 /nfs/dbraw/zinc/41/57/34/557415734.db2.gz RDUJPMCUQVCNGF-UHFFFAOYSA-N 0 0 426.626 5.628 50 30 IKEARN CCCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C1CC1 ZINC000102991139 557415753 /nfs/dbraw/zinc/41/57/53/557415753.db2.gz HCPKDCYANODJAE-UHFFFAOYSA-N 0 0 440.653 5.937 50 30 IKEARN CCCCCCCOc1ccc(C(=O)N2CCC(c3cn(C)c4ccc(C)cc34)CC2)cc1 ZINC000103016927 557416419 /nfs/dbraw/zinc/41/64/19/557416419.db2.gz SZIIFWLXRGJEFM-UHFFFAOYSA-N 0 0 446.635 6.856 50 30 IKEARN CCCCCCCCC(=O)N(CC(=O)N(Cc1cccn1C)Cc1ccccc1)C1CC1 ZINC000103405685 557435923 /nfs/dbraw/zinc/43/59/23/557435923.db2.gz FEKQMACXKKZJSJ-UHFFFAOYSA-N 0 0 437.628 5.296 50 30 IKEARN Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1 ZINC000103746860 557441179 /nfs/dbraw/zinc/44/11/79/557441179.db2.gz ZFRALANELFGRLF-ROMGYVFFSA-N 0 0 447.581 5.662 50 30 IKEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)CCCC/C1=C/c1ccc(Cl)cc1Cl ZINC000103871260 557441978 /nfs/dbraw/zinc/44/19/78/557441978.db2.gz RVCZFIMQQWQFTP-VULZFCBJSA-N 0 0 426.170 7.910 50 30 IKEARN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103847883 557442128 /nfs/dbraw/zinc/44/21/28/557442128.db2.gz GWJRFJYXWFNIAX-HNENSFHCSA-N 0 0 425.915 7.608 50 30 IKEARN Brc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)cc1 ZINC000012123542 557528038 /nfs/dbraw/zinc/52/80/38/557528038.db2.gz MZLYJDQTRITRKC-UHFFFAOYSA-N 0 0 437.160 5.781 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2Cl)cc1C ZINC000044858934 557538072 /nfs/dbraw/zinc/53/80/72/557538072.db2.gz AZLORJPHXQEAOE-QHCPKHFHSA-N 0 0 446.938 5.428 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000044858817 557538091 /nfs/dbraw/zinc/53/80/91/557538091.db2.gz MMRRFQVNMZCMQB-QHCPKHFHSA-N 0 0 426.520 5.102 50 30 IKEARN CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 ZINC000044859018 557538324 /nfs/dbraw/zinc/53/83/24/557538324.db2.gz BGSVWTIYZFRPOW-DEOSSOPVSA-N 0 0 426.520 5.028 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2C)cc1 ZINC000044859382 557538494 /nfs/dbraw/zinc/53/84/94/557538494.db2.gz FIZDVYYNKNRNCE-XMMPIXPASA-N 0 0 440.547 5.410 50 30 IKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(Cl)cc2)cc1C ZINC000044859309 557538564 /nfs/dbraw/zinc/53/85/64/557538564.db2.gz PKLYIZKICICVOF-HSZRJFAPSA-N 0 0 446.938 5.428 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2ccc(Cl)cc2)C1 ZINC000044859233 557538575 /nfs/dbraw/zinc/53/85/75/557538575.db2.gz OOEODYTVDKWZEP-QFIPXVFZSA-N 0 0 446.938 5.447 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@@H]2c1cccs1 ZINC000044973616 557541696 /nfs/dbraw/zinc/54/16/96/557541696.db2.gz RSXMWSWDELGHFV-LJQANCHMSA-N 0 0 448.617 5.613 50 30 IKEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(OC)c(OC)c2)NCc2ccncc2)cc1 ZINC000045940377 557548862 /nfs/dbraw/zinc/54/88/62/557548862.db2.gz NZUGZJNIBOSLPW-SFHVURJKSA-N 0 0 446.551 5.010 50 30 IKEARN CC[C@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000045940432 557548870 /nfs/dbraw/zinc/54/88/70/557548870.db2.gz ABKPMXPREWLUPG-INIZCTEOSA-N 0 0 438.934 5.595 50 30 IKEARN CCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc([C@@H](C)CC)cc2)cc1 ZINC000045940397 557548888 /nfs/dbraw/zinc/54/88/88/557548888.db2.gz QPMQWDBMOYDOTH-IBGZPJMESA-N 0 0 430.552 5.392 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)SC1=S ZINC000002977724 557656479 /nfs/dbraw/zinc/65/64/79/557656479.db2.gz CYBJUOYFIFZCOW-IWIPYMOSSA-N 0 0 440.593 6.230 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 ZINC000002978062 557666621 /nfs/dbraw/zinc/66/66/21/557666621.db2.gz ZKKNTWLVCALTMT-QHCPKHFHSA-N 0 0 447.608 5.946 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC[C@@H]1COc2ccccc2O1 ZINC000000851159 557830329 /nfs/dbraw/zinc/83/03/29/557830329.db2.gz PEQIIJIMSHPZBD-HNNXBMFYSA-N 0 0 428.435 5.571 50 30 IKEARN N#C[C@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC2c3ccccc3C1c1ccccc12 ZINC000000850342 557830656 /nfs/dbraw/zinc/83/06/56/557830656.db2.gz MZHSLOSHZGMASS-BDCLJRGUSA-N 0 0 441.534 6.560 50 30 IKEARN Cc1c(/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000000852002 557830986 /nfs/dbraw/zinc/83/09/86/557830986.db2.gz YNWCYTDBTOASTG-MZJWZYIUSA-N 0 0 425.410 5.514 50 30 IKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000854104 557831005 /nfs/dbraw/zinc/83/10/05/557831005.db2.gz BYIRBTICBVTIIR-DEOSSOPVSA-N 0 0 432.520 5.214 50 30 biogenic IKEARN Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@H]12 ZINC000000858988 557831617 /nfs/dbraw/zinc/83/16/17/557831617.db2.gz PPJFANUQDXSZTQ-NFSQQYCZSA-N 0 0 426.516 5.656 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000253501158 560038854 /nfs/dbraw/zinc/03/88/54/560038854.db2.gz UOCUEIOMIAYZNI-REUPPRSCSA-N 0 0 428.613 5.468 50 30 biogenic,in-vitro IKEARN C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 ZINC000001034730 562920108 /nfs/dbraw/zinc/92/01/08/562920108.db2.gz FXDZKNUOWHTUJT-UHFFFAOYSA-N 0 0 446.557 5.646 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccccc2F)nc(-c2cccs2)cc1C(F)(F)F ZINC000001215624 562920993 /nfs/dbraw/zinc/92/09/93/562920993.db2.gz IBOSBZHLMPPZOS-UHFFFAOYSA-N 0 0 437.443 5.570 50 30 IKEARN C=CCn1c(=O)c2c(nc1SCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000001794885 562924651 /nfs/dbraw/zinc/92/46/51/562924651.db2.gz KSEGLGJSSBNJML-UHFFFAOYSA-N 0 0 428.601 6.147 50 30 biogenic IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Br)cc3)sc2C1 ZINC000002082040 562925699 /nfs/dbraw/zinc/92/56/99/562925699.db2.gz GINRSMLGSRKRLT-AWEZNQCLSA-N 0 0 431.399 6.176 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002626101 562928667 /nfs/dbraw/zinc/92/86/67/562928667.db2.gz BNECKOINJCNNCK-UHFFFAOYSA-N 0 0 441.988 5.208 50 30 IKEARN Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000003052414 562932344 /nfs/dbraw/zinc/93/23/44/562932344.db2.gz RIHNDAULZBHZKY-BHGWPJFGSA-N 0 0 439.846 5.434 50 30 IKEARN N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2cc3ccccc3o2)n1 ZINC000003372227 562935002 /nfs/dbraw/zinc/93/50/02/562935002.db2.gz OSMHXMASHJDOCM-UHFFFAOYSA-N 0 0 435.281 5.225 50 30 IKEARN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000003671903 562937653 /nfs/dbraw/zinc/93/76/53/562937653.db2.gz NYARXXACJSSEKL-UZUQRXQVSA-N 0 0 428.985 5.703 50 30 IKEARN C=CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000006181447 562946387 /nfs/dbraw/zinc/94/63/87/562946387.db2.gz IHFYMLJXXMZEMN-UHFFFAOYSA-N 0 0 432.520 5.516 50 30 IKEARN COc1ccc2ccccc2c1[C@H]1N=C(SCc2ccc(F)cc2)NC(C)=C1C(C)=O ZINC000008424861 562949354 /nfs/dbraw/zinc/94/93/54/562949354.db2.gz NOBPYJFWIRGTQQ-DEOSSOPVSA-N 0 0 434.536 5.784 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000008590156 562951484 /nfs/dbraw/zinc/95/14/84/562951484.db2.gz HAOAGNMKVDOQGF-UHFFFAOYSA-N 0 0 445.441 5.817 50 30 IKEARN Cc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CCc4ccccc43)c3ccccc23)cc1 ZINC000008611809 562958771 /nfs/dbraw/zinc/95/87/71/562958771.db2.gz SACYANIVAVEYTE-LECGRMGRSA-N 0 0 436.555 5.269 50 30 IKEARN FC(F)(F)c1cccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)c1 ZINC000008681169 562961627 /nfs/dbraw/zinc/96/16/27/562961627.db2.gz PADXYYGFOOEZSF-UHFFFAOYSA-N 0 0 426.238 6.479 50 30 IKEARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000009433195 562970852 /nfs/dbraw/zinc/97/08/52/562970852.db2.gz YEBLZTWALSQZMT-DHIUTWEWSA-N 0 0 429.545 5.195 50 30 IKEARN CN1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1 ZINC000033692503 563084623 /nfs/dbraw/zinc/08/46/23/563084623.db2.gz KHBXHLSTIOLHQI-GONBZBRSSA-N 0 0 447.170 5.193 50 30 IKEARN COc1ccc(C[NH+]=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)cc1 ZINC000097967090 563200367 /nfs/dbraw/zinc/20/03/67/563200367.db2.gz LRTNLTFTYFUQPS-BRJLIKDPSA-N 0 0 446.454 5.224 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000097967102 568615482 /nfs/dbraw/zinc/61/54/82/568615482.db2.gz DEGBJJIGYOULQQ-XLNRJJMWSA-N 0 0 426.557 6.457 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(C[C@H]1CCCO1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O ZINC000000902510 568636388 /nfs/dbraw/zinc/63/63/88/568636388.db2.gz JBDPQRRMJBNPBM-QGZVFWFLSA-N 0 0 449.591 5.257 50 30 IKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2Cc1cccc(F)c1 ZINC000025143885 568639964 /nfs/dbraw/zinc/63/99/64/568639964.db2.gz JWDRXYJELIQBJC-UHFFFAOYSA-N 0 0 445.519 5.564 50 30 IKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1-c1ccc(C#N)cc1 ZINC000025144379 568640744 /nfs/dbraw/zinc/64/07/44/568640744.db2.gz AOHXYPINWNNLEE-UHFFFAOYSA-N 0 0 441.506 6.208 50 30 IKEARN Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2csc(-c3ccccc3)n2)cc1C ZINC000000945296 568643364 /nfs/dbraw/zinc/64/33/64/568643364.db2.gz NFMZZNWEHXESRO-IZZNHLLZSA-N 0 0 441.552 6.329 50 30 IKEARN CN1c2ccccc2S/C1=C/C(=O)CCCCC(=O)/C=C1/Sc2ccccc2N1C ZINC000211028037 568644626 /nfs/dbraw/zinc/64/46/26/568644626.db2.gz HNDDHEMDAHTJRE-DFEHQXHXSA-N 0 0 436.602 5.852 50 30 IKEARN CC(=O)/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1 ZINC000000968958 568647255 /nfs/dbraw/zinc/64/72/55/568647255.db2.gz JOTJXTUQXLFDJK-UWVJOHFNSA-N 0 0 444.343 5.103 50 30 IKEARN COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c(C#N)c1C ZINC000000996140 568648252 /nfs/dbraw/zinc/64/82/52/568648252.db2.gz IIAGDACGXBCXJP-UHFFFAOYSA-N 0 0 431.473 5.084 50 30 IKEARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)c1 ZINC000000998156 568648262 /nfs/dbraw/zinc/64/82/62/568648262.db2.gz ZIUIEXMWJMNWCL-UHFFFAOYSA-N 0 0 434.561 6.355 50 30 IKEARN N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1 ZINC000000981448 568648754 /nfs/dbraw/zinc/64/87/54/568648754.db2.gz KSEKEIZJSKVVQT-JMIUGGIZSA-N 0 0 438.867 5.847 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000000988717 568649051 /nfs/dbraw/zinc/64/90/51/568649051.db2.gz APCLDDMGYLAZJK-CUYJMHBOSA-N 0 0 437.524 5.167 50 30 IKEARN COc1ccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 ZINC000000989249 568649085 /nfs/dbraw/zinc/64/90/85/568649085.db2.gz IWPHIAJEQFKOPY-UHFFFAOYSA-N 0 0 434.464 5.684 50 30 IKEARN CN(C(=O)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N)c1ccccc1 ZINC000000999249 568649547 /nfs/dbraw/zinc/64/95/47/568649547.db2.gz RVURBWHWYDWEJL-UHFFFAOYSA-N 0 0 425.513 5.635 50 30 IKEARN CCOC(=O)c1sc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c(C#N)c1C ZINC000000998314 568649561 /nfs/dbraw/zinc/64/95/61/568649561.db2.gz WLBMUFXBPATAGL-UHFFFAOYSA-N 0 0 438.505 5.146 50 30 IKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)n1 ZINC000001030387 568653774 /nfs/dbraw/zinc/65/37/74/568653774.db2.gz QNXSERSNWPPBTJ-UHFFFAOYSA-N 0 0 436.540 5.722 50 30 IKEARN N#Cc1c(F)cccc1N(Cc1cccnc1)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000001048678 568653903 /nfs/dbraw/zinc/65/39/03/568653903.db2.gz PYZKESKTGKTNID-UHFFFAOYSA-N 0 0 431.323 5.803 50 30 IKEARN CCOC(=O)c1c(C)c(C#N)c(NC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000001046973 568653946 /nfs/dbraw/zinc/65/39/46/568653946.db2.gz AQJQACKGHYNUCJ-UHFFFAOYSA-N 0 0 442.302 5.393 50 30 IKEARN N#Cc1c(OCC(F)(F)F)ccc(SCC(=O)c2ccccc2)c1OCC(F)(F)F ZINC000001040830 568654095 /nfs/dbraw/zinc/65/40/95/568654095.db2.gz NKSZIWFPGFKVPO-UHFFFAOYSA-N 0 0 449.372 5.415 50 30 IKEARN N#Cc1c(SCC(=O)c2ccc(F)cc2)nsc1SCC(=O)c1ccc(F)cc1 ZINC000001045466 568654106 /nfs/dbraw/zinc/65/41/06/568654106.db2.gz IECBSRBZPZTUKJ-UHFFFAOYSA-N 0 0 446.525 5.243 50 30 IKEARN CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2C#N)CC1 ZINC000001072800 568654682 /nfs/dbraw/zinc/65/46/82/568654682.db2.gz JUSCRIJDNSNCQI-UHFFFAOYSA-N 0 0 429.383 5.307 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c1C#N ZINC000001073486 568654734 /nfs/dbraw/zinc/65/47/34/568654734.db2.gz HYDGSNIAIWJAEE-UHFFFAOYSA-N 0 0 426.545 5.970 50 30 IKEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccncc3)nc3c(C)c(C)ccc23)c1C#N ZINC000001068315 568655606 /nfs/dbraw/zinc/65/56/06/568655606.db2.gz BDFQKDUIMPIAOK-UHFFFAOYSA-N 0 0 426.545 5.970 50 30 IKEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1Cl ZINC000001079882 568657001 /nfs/dbraw/zinc/65/70/01/568657001.db2.gz DEMUMECVKQQPIA-LBPRGKRZSA-N 0 0 436.758 5.692 50 30 IKEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)cc1 ZINC000025424839 568657448 /nfs/dbraw/zinc/65/74/48/568657448.db2.gz LHJXPGMKENRDSJ-UHFFFAOYSA-N 0 0 431.706 6.203 50 30 IKEARN COc1cc(C2=C3C(=O)CC(C)(C)C[C@@H]3Nc3ccc4ncccc4c32)ccc1OC(C)=O ZINC000001072440 568657669 /nfs/dbraw/zinc/65/76/69/568657669.db2.gz ZYXMJPUTWGUMEF-FQEVSTJZSA-N 0 0 442.515 5.154 50 30 IKEARN N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000001120972 568660159 /nfs/dbraw/zinc/66/01/59/568660159.db2.gz LOPVJMSFQKBHKZ-UHFFFAOYSA-N 0 0 448.349 5.256 50 30 IKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000001103542 568660404 /nfs/dbraw/zinc/66/04/04/568660404.db2.gz LZEHYRKJLJNDJP-HSZRJFAPSA-N 0 0 444.506 5.297 50 30 IKEARN CS[C@H]1CCCC[C@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000001145234 568661111 /nfs/dbraw/zinc/66/11/11/568661111.db2.gz JYUVZCUGGYUEOC-WMZOPIPTSA-N 0 0 444.569 5.829 50 30 IKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3nc(-c4ccc5ccccc5c4)oc3c1)OCO2 ZINC000015133610 568663828 /nfs/dbraw/zinc/66/38/28/568663828.db2.gz FJAYYOBNIXPJNY-LGJNPRDNSA-N 0 0 437.411 6.036 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CCc2ccccn2)c1 ZINC000001160511 568663988 /nfs/dbraw/zinc/66/39/88/568663988.db2.gz ZOCXOGCTSFVDBW-UHFFFAOYSA-N 0 0 435.552 6.142 50 30 IKEARN N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3ccccc3Cl)c2)C1=O ZINC000034735399 568737589 /nfs/dbraw/zinc/73/75/89/568737589.db2.gz JMXANVDPNVAKBI-UHFFFAOYSA-N 0 0 444.922 5.296 50 30 IKEARN C=CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 ZINC000001821946 568741688 /nfs/dbraw/zinc/74/16/88/568741688.db2.gz CKFBEFCPOOEJPY-UHFFFAOYSA-N 0 0 430.573 5.554 50 30 IKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)cc1 ZINC000002066840 568742574 /nfs/dbraw/zinc/74/25/74/568742574.db2.gz LEWAGCDJPBWOJU-QHCPKHFHSA-N 0 0 425.569 5.423 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Oc3ccccc3)s2)cc1 ZINC000003323912 568746016 /nfs/dbraw/zinc/74/60/16/568746016.db2.gz QDEOUVOIXCJZRL-UHFFFAOYSA-N 0 0 444.541 5.747 50 30 IKEARN C=CCSc1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 ZINC000003431782 568749014 /nfs/dbraw/zinc/74/90/14/568749014.db2.gz FRPBZZFCVYJVTA-UHFFFAOYSA-N 0 0 426.592 5.448 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1C1CCCCC1 ZINC000003433676 568749405 /nfs/dbraw/zinc/74/94/05/568749405.db2.gz HIRCSJDLYBKVKG-UHFFFAOYSA-N 0 0 434.993 5.213 50 30 IKEARN C=CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003655451 568752964 /nfs/dbraw/zinc/75/29/64/568752964.db2.gz DWKPTNDODJAHJV-UHFFFAOYSA-N 0 0 431.875 6.134 50 30 IKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000003666440 568753916 /nfs/dbraw/zinc/75/39/16/568753916.db2.gz ZQGOIHPVFKKDCR-LFVJCYFKSA-N 0 0 444.556 5.864 50 30 IKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Cl)ccc1O[C@@H]2c1ccccc1 ZINC000003668705 568754124 /nfs/dbraw/zinc/75/41/24/568754124.db2.gz ACYKWABLGUABAR-XMMPIXPASA-N 0 0 435.995 7.152 50 30 IKEARN CC(N=Nc1nc2ccccc2n1Cc1ccccc1)N=Nc1ccc(Br)cc1 ZINC000003944784 568755086 /nfs/dbraw/zinc/75/50/86/568755086.db2.gz KGJOXUUCOZFXIN-HJSWUCLESA-N 0 0 447.340 6.376 50 30 IKEARN O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000004118322 568758498 /nfs/dbraw/zinc/75/84/98/568758498.db2.gz RZVWOBYKWHSBLJ-LZWSPWQCSA-N 0 0 433.312 5.657 50 30 IKEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000031854463 568758507 /nfs/dbraw/zinc/75/85/07/568758507.db2.gz LAJCVTZFNQXPLE-OYKKKHCWSA-N 0 0 430.489 5.743 50 30 IKEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)c(Cl)c1 ZINC000004017672 568758530 /nfs/dbraw/zinc/75/85/30/568758530.db2.gz GKAWLAILRMFUEH-VUTHCHCSSA-N 0 0 436.898 7.066 50 30 IKEARN N#Cc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(C#N)c(C#N)c2)cc1C#N ZINC000001233134 568758546 /nfs/dbraw/zinc/75/85/46/568758546.db2.gz HWLBSWFURYESCV-UHFFFAOYSA-N 0 0 438.446 6.425 50 30 IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000004027531 568758895 /nfs/dbraw/zinc/75/88/95/568758895.db2.gz UOCUEIOMIAYZNI-NKLALCCJSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000004027530 568758907 /nfs/dbraw/zinc/75/89/07/568758907.db2.gz UOCUEIOMIAYZNI-DFYREPLXSA-N 0 0 428.613 5.468 50 30 biogenic IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000004048245 568759868 /nfs/dbraw/zinc/75/98/68/568759868.db2.gz FPATUPQCSJXTIT-SLJQUXCSSA-N 0 0 443.597 6.482 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004062256 568760029 /nfs/dbraw/zinc/76/00/29/568760029.db2.gz RPJYQERFYOCLIV-WINIVTDRSA-N 0 0 444.962 6.718 50 30 IKEARN O=C(c1ccc(Cl)cc1)C1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O ZINC000263616722 568776913 /nfs/dbraw/zinc/77/69/13/568776913.db2.gz KEXVCQFFPJYXCU-UHFFFAOYSA-N 0 0 431.847 5.268 50 30 IKEARN C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000001297724 568778769 /nfs/dbraw/zinc/77/87/69/568778769.db2.gz GSAJOYCTDXCTOH-SFHVURJKSA-N 0 0 426.607 5.076 50 30 IKEARN Cc1cc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000083309858 568779501 /nfs/dbraw/zinc/77/95/01/568779501.db2.gz ALIODALURXVDNP-SRZZPIQSSA-N 0 0 439.943 6.087 50 30 IKEARN Clc1ccc(COc2ccccc2C=NN=c2[nH]c3ccccc3s2)c(Cl)c1 ZINC000004133067 568781302 /nfs/dbraw/zinc/78/13/02/568781302.db2.gz VGRAYMLUGFWSIZ-WYMPLXKRSA-N 0 0 428.344 6.628 50 30 IKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C\c2ccccc2)COC(C)(C)C4)cc1 ZINC000032120400 568781764 /nfs/dbraw/zinc/78/17/64/568781764.db2.gz JVVBGAUUMSLVNP-WGARJPEWSA-N 0 0 444.560 5.053 50 30 IKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000012719941 568782853 /nfs/dbraw/zinc/78/28/53/568782853.db2.gz SDYMIDMUFXWPCF-NHTHQGPPSA-N 0 0 438.514 6.415 50 30 IKEARN CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(CC)cc2)cc1 ZINC000045940352 568783603 /nfs/dbraw/zinc/78/36/03/568783603.db2.gz RAXPGZDWLVBIBN-UHFFFAOYSA-N 0 0 430.552 5.221 50 30 IKEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc3c(c1)OCO3)N=C(SCc1ccccc1F)N2 ZINC000001384528 568784239 /nfs/dbraw/zinc/78/42/39/568784239.db2.gz IERBLXBUYYMVPN-JOCHJYFZSA-N 0 0 444.487 5.096 50 30 IKEARN O=C1c2ccccc2C2=C1[C@H](c1ccc3c(c1)OCO3)N=C(SCc1ccccc1F)N2 ZINC000001384527 568784297 /nfs/dbraw/zinc/78/42/97/568784297.db2.gz IERBLXBUYYMVPN-QFIPXVFZSA-N 0 0 444.487 5.096 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000016731114 568792562 /nfs/dbraw/zinc/79/25/62/568792562.db2.gz UTPRYMKBYHTWKB-HXUWFJFHSA-N 0 0 425.843 5.159 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1 ZINC000001421901 568793200 /nfs/dbraw/zinc/79/32/00/568793200.db2.gz NWKGFKGZRJFJDX-OAHLLOKOSA-N 0 0 427.595 5.202 50 30 IKEARN CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 ZINC000001423605 568793558 /nfs/dbraw/zinc/79/35/58/568793558.db2.gz HIOLYXVTOUANHY-CQSZACIVSA-N 0 0 445.585 5.341 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/c1ccccc1C ZINC000105003891 568793564 /nfs/dbraw/zinc/79/35/64/568793564.db2.gz ADNVSXDVQBDWNQ-UFGLDMCJSA-N 0 0 448.375 5.448 50 30 IKEARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2 ZINC000001424709 568793748 /nfs/dbraw/zinc/79/37/48/568793748.db2.gz WGADOOZKZYOCEQ-LMKMVOKYSA-N 0 0 436.467 5.515 50 30 IKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCCC2 ZINC000001429598 568794328 /nfs/dbraw/zinc/79/43/28/568794328.db2.gz ZEFVFTZAZMPPCK-LJQANCHMSA-N 0 0 448.563 5.945 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000001429659 568794472 /nfs/dbraw/zinc/79/44/72/568794472.db2.gz BRYSJWLHPYPQGP-GOSISDBHSA-N 0 0 448.563 5.801 50 30 IKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1OC ZINC000001431055 568794513 /nfs/dbraw/zinc/79/45/13/568794513.db2.gz KIYJJXRAVPWJGD-ZMOGYAJESA-N 0 0 437.293 6.025 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1cccs1 ZINC000001430887 568794517 /nfs/dbraw/zinc/79/45/17/568794517.db2.gz IRGBDBQSGKBNNT-HNNXBMFYSA-N 0 0 436.602 5.724 50 30 IKEARN CCc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1 ZINC000001432337 568795127 /nfs/dbraw/zinc/79/51/27/568795127.db2.gz IJVGFXGSURVCEL-HXUWFJFHSA-N 0 0 444.600 5.979 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000001435016 568795882 /nfs/dbraw/zinc/79/58/82/568795882.db2.gz XLXGZQTVYLVWPF-WYMPLXKRSA-N 0 0 437.293 6.031 50 30 IKEARN C=CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)c1nc2c(s1)CCCC2 ZINC000084274886 568796713 /nfs/dbraw/zinc/79/67/13/568796713.db2.gz TZEAOYPCQCFPRV-UHFFFAOYSA-N 0 0 441.647 5.912 50 30 IKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4ccc(F)cc4Cl)nc3c1)OCO2 ZINC000001435202 568798837 /nfs/dbraw/zinc/79/88/37/568798837.db2.gz ZYGUDOOMVKWSOX-PGGKNCGUSA-N 0 0 439.786 5.675 50 30 IKEARN C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000084638139 568799437 /nfs/dbraw/zinc/79/94/37/568799437.db2.gz BLTIHWGPYWAVMY-FQEVSTJZSA-N 0 0 431.458 5.380 50 30 IKEARN C=CCc1c(C)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)[nH]c1=O ZINC000003856138 568803613 /nfs/dbraw/zinc/80/36/13/568803613.db2.gz HPTNAWQFGGONEB-UHFFFAOYSA-N 0 0 435.936 5.532 50 30 IKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)C(C)C ZINC000001439923 568804779 /nfs/dbraw/zinc/80/47/79/568804779.db2.gz BOTROSLQYSNYBY-HHHXNRCGSA-N 0 0 441.527 6.083 50 30 IKEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C(C)(C)C)C3 ZINC000008432065 568812884 /nfs/dbraw/zinc/81/28/84/568812884.db2.gz JQHKDFZWAHJFST-OAHLLOKOSA-N 0 0 440.634 5.885 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(CCC=C(C)C)C[C@@H]1C)Nc1ccccc1-2 ZINC000008452654 568812914 /nfs/dbraw/zinc/81/29/14/568812914.db2.gz VFNQPQLDBNDLTA-MFSJNOQSSA-N 0 0 448.636 6.666 50 30 IKEARN COc1cc(C(F)(F)F)nc2ccc(C#CCOC(=O)Nc3cccc(Cl)c3)cc21 ZINC000008648519 568815292 /nfs/dbraw/zinc/81/52/92/568815292.db2.gz FQQWMDUBBKAWBZ-UHFFFAOYSA-N 0 0 434.801 5.516 50 30 IKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc2ncccc2c1 ZINC000008715183 568816093 /nfs/dbraw/zinc/81/60/93/568816093.db2.gz WXSBEEZAIQYFKO-UHFFFAOYSA-N 0 0 427.360 6.278 50 30 IKEARN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000008781479 568816276 /nfs/dbraw/zinc/81/62/76/568816276.db2.gz VVFSOUCFJSKHDW-QOMWVZHYSA-N 0 0 430.507 6.239 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 ZINC000001450644 568818007 /nfs/dbraw/zinc/81/80/07/568818007.db2.gz SQFGOWVGXSKYLP-NRFANRHFSA-N 0 0 444.512 5.543 50 30 IKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001450491 568818055 /nfs/dbraw/zinc/81/80/55/568818055.db2.gz GPZYWWTWTRLGPW-JOCHJYFZSA-N 0 0 446.503 5.072 50 30 IKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 ZINC000001450645 568818114 /nfs/dbraw/zinc/81/81/14/568818114.db2.gz SQFGOWVGXSKYLP-OAQYLSRUSA-N 0 0 444.512 5.543 50 30 IKEARN C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000009260932 568818428 /nfs/dbraw/zinc/81/84/28/568818428.db2.gz PVCJOXXOGQHQPR-LPYMAVHISA-N 0 0 448.544 5.319 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009500061 568818896 /nfs/dbraw/zinc/81/88/96/568818896.db2.gz VTMLKHLQEKTIMG-UHFFFAOYSA-N 0 0 441.000 5.858 50 30 IKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1OC ZINC000009480082 568819031 /nfs/dbraw/zinc/81/90/31/568819031.db2.gz QUWTZUIKMAMHDK-UHFFFAOYSA-N 0 0 442.972 5.141 50 30 IKEARN CC1(C)CC(=O)C(c2cc(-c3ccccc3)n(-c3ccccc3N)c2-c2ccccc2)C(=O)C1 ZINC000006061931 568820409 /nfs/dbraw/zinc/82/04/09/568820409.db2.gz GRZFLWGVLFRBJB-UHFFFAOYSA-N 0 0 448.566 7.052 50 30 IKEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000006077273 568821273 /nfs/dbraw/zinc/82/12/73/568821273.db2.gz IROPHWKZMNPUBU-KOSHJBKYSA-N 0 0 441.556 5.143 50 30 IKEARN CN(C)c1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000006077146 568821289 /nfs/dbraw/zinc/82/12/89/568821289.db2.gz DRNJSODQIMEPOL-SANMLTNESA-N 0 0 441.531 6.124 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S ZINC000013546296 568824101 /nfs/dbraw/zinc/82/41/01/568824101.db2.gz OWOMSCIWILFZOC-GZTJUZNOSA-N 0 0 448.978 5.787 50 30 IKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000013803636 568824141 /nfs/dbraw/zinc/82/41/41/568824141.db2.gz HSMMODISRSTMKV-UHFFFAOYSA-N 0 0 436.581 5.008 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000001481046 568824565 /nfs/dbraw/zinc/82/45/65/568824565.db2.gz MAZMYUIRJFIAFD-PIIWDFAUSA-N 0 0 440.518 6.055 50 30 IKEARN C=CCn1c(C)nnc1SCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000013990113 568824743 /nfs/dbraw/zinc/82/47/43/568824743.db2.gz GYVWJBYEPMLJMI-UHFFFAOYSA-N 0 0 435.578 5.088 50 30 IKEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 ZINC000085581324 568825352 /nfs/dbraw/zinc/82/53/52/568825352.db2.gz NMXMIARACFPANC-UHFFFAOYSA-N 0 0 448.929 5.709 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)c1C ZINC000085581400 568825374 /nfs/dbraw/zinc/82/53/74/568825374.db2.gz JWWZQYODFIKTDU-UHFFFAOYSA-N 0 0 428.511 5.364 50 30 IKEARN C=CCn1c(CN(C)Cc2cccc(-c3ccccc3C)c2)nnc1SC[C@@H]1CCCO1 ZINC000014994193 568827625 /nfs/dbraw/zinc/82/76/25/568827625.db2.gz MNOYHYIPFMHJQF-QHCPKHFHSA-N 0 0 448.636 5.343 50 30 IKEARN C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000001015276 568832776 /nfs/dbraw/zinc/83/27/76/568832776.db2.gz KOFFAKITKZDDMI-HZHRSRAPSA-N 0 0 431.513 5.650 50 30 IKEARN C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000001098052 568832809 /nfs/dbraw/zinc/83/28/09/568832809.db2.gz XJDBXVZCKXNGOH-UHFFFAOYSA-N 0 0 443.981 5.862 50 30 IKEARN C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(C)cc2c1=O ZINC000001122215 568833119 /nfs/dbraw/zinc/83/31/19/568833119.db2.gz STCHSXHAFZYGOS-UHFFFAOYSA-N 0 0 431.391 5.296 50 30 IKEARN C#CCOc1nc(N(c2ccccc2)c2ccccc2)nc(-n2c(C)nc3ccccc32)n1 ZINC000001796020 568834092 /nfs/dbraw/zinc/83/40/92/568834092.db2.gz USJZTYSDEILLFD-UHFFFAOYSA-N 0 0 432.487 5.001 50 30 IKEARN C#CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001906490 568834318 /nfs/dbraw/zinc/83/43/18/568834318.db2.gz CBMWTJIYKQXKJH-UHFFFAOYSA-N 0 0 426.585 5.691 50 30 biogenic IKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(O)c(OCC)c1)Nc1ccccc1-2 ZINC000002073646 568834497 /nfs/dbraw/zinc/83/44/97/568834497.db2.gz OXSLXYDRHPUFRX-LJQANCHMSA-N 0 0 442.928 5.078 50 30 IKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OCCC)N(C(C)=O)c1ccccc1-2 ZINC000002113705 568834535 /nfs/dbraw/zinc/83/45/35/568834535.db2.gz URRABKAIJCGFKU-HSZRJFAPSA-N 0 0 448.548 5.050 50 30 IKEARN C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000002099705 568834554 /nfs/dbraw/zinc/83/45/54/568834554.db2.gz ZHMHTLPHAAKZPY-YVLHZVERSA-N 0 0 436.291 5.381 50 30 IKEARN C#CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002117657 568834670 /nfs/dbraw/zinc/83/46/70/568834670.db2.gz ISSYGQRVUKSIKP-UHFFFAOYSA-N 0 0 428.557 5.001 50 30 biogenic IKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C ZINC000002242072 568834826 /nfs/dbraw/zinc/83/48/26/568834826.db2.gz NNJLNKZQJCJZME-UHFFFAOYSA-N 0 0 432.471 5.189 50 30 IKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000002240905 568834843 /nfs/dbraw/zinc/83/48/43/568834843.db2.gz VWECLXQUTYPNPL-UHFFFAOYSA-N 0 0 440.783 6.296 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1OC ZINC000002200770 568834854 /nfs/dbraw/zinc/83/48/54/568834854.db2.gz YNNYLZUSEGXQDF-KRWDZBQOSA-N 0 0 436.581 5.384 50 30 IKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002292163 568834873 /nfs/dbraw/zinc/83/48/73/568834873.db2.gz ZBYISUQVRYYTTR-ZDUSSCGKSA-N 0 0 445.009 5.397 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000002240942 568834881 /nfs/dbraw/zinc/83/48/81/568834881.db2.gz WPQCMZYUWUGHDU-UHFFFAOYSA-N 0 0 437.327 5.308 50 30 IKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1cccc(C(F)(F)F)c1)CCCC3 ZINC000002336173 568835205 /nfs/dbraw/zinc/83/52/05/568835205.db2.gz WFNWRFGXSIQSNH-UHFFFAOYSA-N 0 0 436.524 5.834 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1C ZINC000002363366 568835241 /nfs/dbraw/zinc/83/52/41/568835241.db2.gz RXOJLYHRDPPXLK-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccc(Cl)c1 ZINC000002447541 568835706 /nfs/dbraw/zinc/83/57/06/568835706.db2.gz JSCSVCSBKMPVPP-UHFFFAOYSA-N 0 0 426.973 5.639 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1 ZINC000002454164 568835989 /nfs/dbraw/zinc/83/59/89/568835989.db2.gz JHHKYHRFIXQUHT-UHFFFAOYSA-N 0 0 433.364 5.477 50 30 IKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(C)c(Cl)c2)c1O ZINC000001509902 568836115 /nfs/dbraw/zinc/83/61/15/568836115.db2.gz OQLIYUXTIFIWAA-FBCYGCLPSA-N 0 0 433.527 5.638 50 30 IKEARN O=C(Nc1nnc(/N=C/c2ccc(Br)s2)s1)c1ccc(Cl)cc1 ZINC000001509847 568836123 /nfs/dbraw/zinc/83/61/23/568836123.db2.gz PQBMTMGMALAKQZ-REZTVBANSA-N 0 0 427.736 5.018 50 30 IKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000018194228 568838238 /nfs/dbraw/zinc/83/82/38/568838238.db2.gz MRRRBEAXPHDOCP-NRFANRHFSA-N 0 0 442.346 5.303 50 30 IKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2Cl)nc1 ZINC000027532839 568838568 /nfs/dbraw/zinc/83/85/68/568838568.db2.gz DRPXVZFRVWTWGG-NRFANRHFSA-N 0 0 442.346 5.303 50 30 IKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2Cl)n1 ZINC000027532735 568838587 /nfs/dbraw/zinc/83/85/87/568838587.db2.gz IDVCFAKZRPSEMC-JOCHJYFZSA-N 0 0 435.955 5.286 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1ccco1 ZINC000015826246 568840709 /nfs/dbraw/zinc/84/07/09/568840709.db2.gz GIPNFANJLQXWMG-DEOSSOPVSA-N 0 0 427.504 6.128 50 30 IKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000025694982 568842772 /nfs/dbraw/zinc/84/27/72/568842772.db2.gz DHFHSIULJLOUCM-XMMPIXPASA-N 0 0 449.522 5.182 50 30 IKEARN C=C[C@@H](COCSC)C[C@@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 ZINC000043762862 568843106 /nfs/dbraw/zinc/84/31/06/568843106.db2.gz QRKKLUUKPHEPNI-MNAJGRROSA-N 0 0 436.658 5.855 50 30 IKEARN C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CCC23SCCS3)CC[C@H]1C)C1SCCS1 ZINC000043762232 568843107 /nfs/dbraw/zinc/84/31/07/568843107.db2.gz CPGWNLKFCZHRGO-JKMAKKBCSA-N 0 0 442.781 6.439 50 30 IKEARN C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CCC23SCCS3)CC[C@@H]1C)C1SCCS1 ZINC000043762233 568843110 /nfs/dbraw/zinc/84/31/10/568843110.db2.gz CPGWNLKFCZHRGO-IAECCPNBSA-N 0 0 442.781 6.439 50 30 IKEARN C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CCC23SCCS3)CC[C@@H]1C)C1SCCS1 ZINC000043762231 568843122 /nfs/dbraw/zinc/84/31/22/568843122.db2.gz CPGWNLKFCZHRGO-AXNOTKAXSA-N 0 0 442.781 6.439 50 30 IKEARN C=C[C@H](COCSC)C[C@@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1 ZINC000043762860 568843155 /nfs/dbraw/zinc/84/31/55/568843155.db2.gz QRKKLUUKPHEPNI-PGAFUCCMSA-N 0 0 436.658 5.855 50 30 IKEARN CCCCCCCCC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 ZINC000100727515 568843306 /nfs/dbraw/zinc/84/33/06/568843306.db2.gz NYIMPZNBVYBROG-MRXNPFEDSA-N 0 0 428.809 5.023 50 30 IKEARN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(C)C)cc1N ZINC000101016947 568843549 /nfs/dbraw/zinc/84/35/49/568843549.db2.gz SIIVTNVVZIFVLS-UHFFFAOYSA-N 0 0 440.694 6.379 50 30 IKEARN CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(C)cccc1CC ZINC000100856274 568843553 /nfs/dbraw/zinc/84/35/53/568843553.db2.gz DJBNSRQICRBJIA-UHFFFAOYSA-N 0 0 430.721 8.940 50 30 IKEARN C=C1C[C@@H]2[C@@H](C[C@H](C)[C@H]2OCc2ccc(OC)cc2)[C@@]2(O)[C@H]1C[C@@H]1C(C)(C)CC(=O)[C@@]12C ZINC000071786756 568843556 /nfs/dbraw/zinc/84/35/56/568843556.db2.gz QIHUPRXUAFZFNA-IDBUGFEZSA-N 0 0 438.608 5.185 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000101019755 568843707 /nfs/dbraw/zinc/84/37/07/568843707.db2.gz BTRRJBQMDMYZLY-UHFFFAOYSA-N 0 0 435.696 9.554 50 30 IKEARN C=CCNC(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1 ZINC000015855601 568844986 /nfs/dbraw/zinc/84/49/86/568844986.db2.gz BIPIQBZJHZFACR-UYTDBDHRSA-N 0 0 432.545 5.021 50 30 IKEARN CCOc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000006143202 568845251 /nfs/dbraw/zinc/84/52/51/568845251.db2.gz JTJCHXCDPWBXQO-UHFFFAOYSA-N 0 0 432.527 6.401 50 30 IKEARN O=C(/C=C/c1cc2ccccc2o1)c1cc(Br)ccc1OCc1ccccc1 ZINC000006148129 568846742 /nfs/dbraw/zinc/84/67/42/568846742.db2.gz DHFSLMMZWIQXHD-VAWYXSNFSA-N 0 0 433.301 6.670 50 30 IKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017098720 568850801 /nfs/dbraw/zinc/85/08/01/568850801.db2.gz HHPYCBDJNVOXNL-ZDUSSCGKSA-N 0 0 434.005 6.402 50 30 IKEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NC1CCCCCC1 ZINC000015867224 568850915 /nfs/dbraw/zinc/85/09/15/568850915.db2.gz AMNUINMVOITLRY-AREMUKBSSA-N 0 0 433.552 5.099 50 30 IKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000017099001 568851144 /nfs/dbraw/zinc/85/11/44/568851144.db2.gz FFCDSDUTZZCIIW-UHFFFAOYSA-N 0 0 434.546 5.276 50 30 IKEARN C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1csc(C)c1-c1ccccc1 ZINC000017102726 568851177 /nfs/dbraw/zinc/85/11/77/568851177.db2.gz GKNKRMPKOLDLDP-UHFFFAOYSA-N 0 0 438.622 5.319 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1csc(C)c1 ZINC000017102205 568851258 /nfs/dbraw/zinc/85/12/58/568851258.db2.gz SBWIACPFRAWYIX-UHFFFAOYSA-N 0 0 438.500 5.251 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S ZINC000019799516 568855011 /nfs/dbraw/zinc/85/50/11/568855011.db2.gz IRRXSMCJLXUQLK-KQWNVCNZSA-N 0 0 448.613 5.806 50 30 IKEARN C=CC[C@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C(=O)Nc1ccccc1 ZINC000019851490 568855372 /nfs/dbraw/zinc/85/53/72/568855372.db2.gz HDXYEAZGUNXZCQ-HSZRJFAPSA-N 0 0 427.976 5.214 50 30 IKEARN C=CCn1c(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)nnc1-c1ccco1 ZINC000023202074 568859414 /nfs/dbraw/zinc/85/94/14/568859414.db2.gz SHJNPLQVRNZBQM-UHFFFAOYSA-N 0 0 446.492 5.030 50 30 IKEARN C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2c(s1)CCCC2 ZINC000023653644 568860142 /nfs/dbraw/zinc/86/01/42/568860142.db2.gz ZDEBPEPWGUAMGN-UHFFFAOYSA-N 0 0 446.985 5.037 50 30 IKEARN COC(=O)c1ccc(/C=C/c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n32)cc1 ZINC000015981135 568861966 /nfs/dbraw/zinc/86/19/66/568861966.db2.gz NTYBSZYEHYCYGQ-DTQAZKPQSA-N 0 0 429.479 5.983 50 30 IKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1OC ZINC000027015750 568862956 /nfs/dbraw/zinc/86/29/56/568862956.db2.gz DDQNIFKJTLUBNI-RQZHXJHFSA-N 0 0 441.556 5.896 50 30 IKEARN C=CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000027489064 568863662 /nfs/dbraw/zinc/86/36/62/568863662.db2.gz NGXZIJVSPYQWFT-XMMPIXPASA-N 0 0 433.338 6.873 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000016034260 568867590 /nfs/dbraw/zinc/86/75/90/568867590.db2.gz TZXVUJFCIMGZSW-NXCFDTQHSA-N 0 0 449.485 5.119 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000016034262 568867681 /nfs/dbraw/zinc/86/76/81/568867681.db2.gz TZXVUJFCIMGZSW-GSDHBNRESA-N 0 0 449.485 5.119 50 30 IKEARN CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2sc3c(c2C#N)CCC3)cc1 ZINC000016161517 568872066 /nfs/dbraw/zinc/87/20/66/568872066.db2.gz YTDWINQFWKKFPV-UHFFFAOYSA-N 0 0 428.557 5.720 50 30 IKEARN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000016196190 568872406 /nfs/dbraw/zinc/87/24/06/568872406.db2.gz WFPCETNNZLDDSG-ZDLGFXPLSA-N 0 0 436.316 5.808 50 30 IKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)OC3CCCCC3)n2)cc1 ZINC000006246032 568880650 /nfs/dbraw/zinc/88/06/50/568880650.db2.gz NQPRLWIAXBBGSA-UHFFFAOYSA-N 0 0 442.584 6.564 50 30 IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009433835 568883432 /nfs/dbraw/zinc/88/34/32/568883432.db2.gz YQOXTSAJEXQPOE-HSZRJFAPSA-N 0 0 447.462 5.016 50 30 IKEARN COc1cc(C(=O)/C=C/c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000013523682 568888518 /nfs/dbraw/zinc/88/85/18/568888518.db2.gz LSWQYZBNXYWGQI-ACCUITESSA-N 0 0 448.475 5.285 50 30 IKEARN CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001738075 568889403 /nfs/dbraw/zinc/88/94/03/568889403.db2.gz JWFURPRJMADYPO-QINSGFPZSA-N 0 0 441.416 5.042 50 30 IKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000016035564 568894071 /nfs/dbraw/zinc/89/40/71/568894071.db2.gz LZOJAUBIMREAQP-WUXMJOGZSA-N 0 0 441.386 5.893 50 30 IKEARN O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000015979675 568894086 /nfs/dbraw/zinc/89/40/86/568894086.db2.gz YGWPNMBKQYDKMF-QHHAFSJGSA-N 0 0 432.288 5.739 50 30 IKEARN C=CCn1c(SCCOc2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000001746349 568904206 /nfs/dbraw/zinc/90/42/06/568904206.db2.gz RZMOXRKWUMFEPI-UHFFFAOYSA-N 0 0 440.634 5.601 50 30 IKEARN CCCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000001769336 568905945 /nfs/dbraw/zinc/90/59/45/568905945.db2.gz LERXWLIUWBKEHR-WYMLVPIESA-N 0 0 438.593 6.118 50 30 IKEARN CCCCCCCOc1ccc(-c2nc(-c3ccc(Br)cc3)cc(=O)o2)cc1 ZINC000001827129 568915776 /nfs/dbraw/zinc/91/57/76/568915776.db2.gz DMAZIQZNGDPDMI-UHFFFAOYSA-N 0 0 442.353 6.481 50 30 IKEARN Cc1nc2sc3c(c2c(SCC(=O)Nc2sc4c(c2C#N)CCCC4)n1)CCC3 ZINC000001896199 568917608 /nfs/dbraw/zinc/91/76/08/568917608.db2.gz LGRGDGBNQOPSST-UHFFFAOYSA-N 0 0 440.619 5.031 50 30 IKEARN CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Oc2ccccc2)cc1 ZINC000026841466 568918068 /nfs/dbraw/zinc/91/80/68/568918068.db2.gz BOMAOFOTBQZVIL-DEOSSOPVSA-N 0 0 443.499 5.394 50 30 IKEARN CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 ZINC000016575981 568921521 /nfs/dbraw/zinc/92/15/21/568921521.db2.gz UPVPVPJSIQMNDG-UHFFFAOYSA-N 0 0 433.870 6.535 50 30 IKEARN CCCCc1n[n-]c(=S)n1N=Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000001915878 568922483 /nfs/dbraw/zinc/92/24/83/568922483.db2.gz VBRUEOPAWCRCPT-WYMPLXKRSA-N 0 0 448.951 5.546 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Cl)cc2c1OCOC2 ZINC000016577965 568922828 /nfs/dbraw/zinc/92/28/28/568922828.db2.gz CKOVCUBTEMOSJB-VWLOTQADSA-N 0 0 445.946 6.669 50 30 IKEARN O=[N+]([O-])c1cc(/N=C/c2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl ZINC000001951253 568923722 /nfs/dbraw/zinc/92/37/22/568923722.db2.gz YDFIIXUMXHTUDA-ASIDMNOUSA-N 0 0 443.246 6.311 50 30 IKEARN COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000064473920 568930041 /nfs/dbraw/zinc/93/00/41/568930041.db2.gz FYKAUHPJXYCUIM-UHFFFAOYSA-N 0 0 448.954 5.240 50 30 IKEARN CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccccc31)O2 ZINC000002025782 568931389 /nfs/dbraw/zinc/93/13/89/568931389.db2.gz REKLLOKKSPBPBZ-GDLZYMKVSA-N 0 0 426.604 7.789 50 30 IKEARN CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccccc31)O2 ZINC000002025789 568931469 /nfs/dbraw/zinc/93/14/69/568931469.db2.gz REKLLOKKSPBPBZ-LJAQVGFWSA-N 0 0 426.604 7.789 50 30 IKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC ZINC000002028929 568934599 /nfs/dbraw/zinc/93/45/99/568934599.db2.gz SFQJTSIUDXSYRW-DEOSSOPVSA-N 0 0 439.596 5.813 50 30 IKEARN O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccccc1)c1ccccc1 ZINC000004231425 568939796 /nfs/dbraw/zinc/93/97/96/568939796.db2.gz NHWUJCNIZBFDKH-YZSQISJMSA-N 0 0 425.513 5.380 50 30 IKEARN CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000006733084 568968512 /nfs/dbraw/zinc/96/85/12/568968512.db2.gz NXIUQVDDGSOMDX-QFIPXVFZSA-N 0 0 427.548 5.848 50 30 IKEARN Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@@H]12 ZINC000169684196 569000183 /nfs/dbraw/zinc/00/01/83/569000183.db2.gz PPJFANUQDXSZTQ-INLZGFCBSA-N 0 0 426.516 5.656 50 30 IKEARN CN(C)c1ccnc(Nc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1C#N ZINC000036382155 569092662 /nfs/dbraw/zinc/09/26/62/569092662.db2.gz QJSOVYZFVSONJJ-UHFFFAOYSA-N 0 0 433.821 5.622 50 30 IKEARN Cc1ccsc1CN(Cc1ccco1)c1oc(-c2cccc3ccccc32)nc1C#N ZINC000170623783 569148415 /nfs/dbraw/zinc/14/84/15/569148415.db2.gz ZLSFMDGGBCIDNP-UHFFFAOYSA-N 0 0 425.513 6.536 50 30 IKEARN N#CCc1ccc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 ZINC000009910488 569150433 /nfs/dbraw/zinc/15/04/33/569150433.db2.gz LZPHMDIMECNIGU-UHFFFAOYSA-N 0 0 436.587 5.664 50 30 IKEARN COc1ccc(-c2c3c(N)c(C(=O)c4ccc(C)cc4)sc3nc(C)c2C#N)cc1OC ZINC000009910400 569150475 /nfs/dbraw/zinc/15/04/75/569150475.db2.gz ROJWOABUEYCKCF-UHFFFAOYSA-N 0 0 443.528 5.282 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Sc1ccc([N+](=O)[O-])cc1C=O ZINC000013573902 569155743 /nfs/dbraw/zinc/15/57/43/569155743.db2.gz XVFPWLNDPFJZHP-UHFFFAOYSA-N 0 0 437.480 6.159 50 30 IKEARN N#Cc1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nc(-c2cccs2)cc1C(F)(F)F ZINC000013574434 569155759 /nfs/dbraw/zinc/15/57/59/569155759.db2.gz VLIYPCSEVDCHET-UHFFFAOYSA-N 0 0 435.408 5.572 50 30 IKEARN Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000013579597 569156299 /nfs/dbraw/zinc/15/62/99/569156299.db2.gz RNYNJDQAANMJIG-UHFFFAOYSA-N 0 0 430.529 5.145 50 30 IKEARN COc1ccc(-c2csc(N=NC3C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1 ZINC000013814904 569157297 /nfs/dbraw/zinc/15/72/97/569157297.db2.gz YVCXIROPPVUFHA-VWLOTQADSA-N 0 0 441.556 6.467 50 30 IKEARN CCOC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N ZINC000016805582 569162168 /nfs/dbraw/zinc/16/21/68/569162168.db2.gz QXVQUTAOHCJBPQ-UHFFFAOYSA-N 0 0 445.260 5.057 50 30 IKEARN CCSc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc(C(F)(F)F)c1C#N ZINC000016733344 569160475 /nfs/dbraw/zinc/16/04/75/569160475.db2.gz DTXSQRYLIRHWEA-UHFFFAOYSA-N 0 0 448.897 6.983 50 30 IKEARN CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 ZINC000016729031 569160508 /nfs/dbraw/zinc/16/05/08/569160508.db2.gz UGBNZPZDBMGBRN-UHFFFAOYSA-N 0 0 448.897 6.983 50 30 IKEARN O=C1/C(=C\c2ccc(Br)s2)CCC/C1=C/c1ccc(Br)s1 ZINC000020115365 569166358 /nfs/dbraw/zinc/16/63/58/569166358.db2.gz TVEAESGOBIRZPF-WGEIWTTOSA-N 0 0 444.213 6.555 50 30 IKEARN Cc1[nH]c2ccc(Cl)cc2c1CCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000016977227 569168923 /nfs/dbraw/zinc/16/89/23/569168923.db2.gz BSHOGHKHSCCABH-UHFFFAOYSA-N 0 0 427.879 5.969 50 30 IKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c1 ZINC000008984704 569174717 /nfs/dbraw/zinc/17/47/17/569174717.db2.gz UIFYOTJHGRPWPN-VULFUBBASA-N 0 0 443.846 7.067 50 30 IKEARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002081751 569177194 /nfs/dbraw/zinc/17/71/94/569177194.db2.gz CULMPLVZYPQTPO-UHFFFAOYSA-N 0 0 437.568 6.665 50 30 IKEARN Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)c1 ZINC000002082203 569177232 /nfs/dbraw/zinc/17/72/32/569177232.db2.gz JYQLWEQFKRWXBZ-QGZVFWFLSA-N 0 0 437.568 6.521 50 30 IKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000002086279 569177351 /nfs/dbraw/zinc/17/73/51/569177351.db2.gz VQPVWWRIJNKDHO-LBPRGKRZSA-N 0 0 431.945 5.975 50 30 IKEARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O ZINC000002098394 569179414 /nfs/dbraw/zinc/17/94/14/569179414.db2.gz PBXOTQWYLMQFLF-OYKKKHCWSA-N 0 0 444.483 5.663 50 30 biogenic IKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)c1 ZINC000002103695 569180058 /nfs/dbraw/zinc/18/00/58/569180058.db2.gz IHRNXPJWAIMQEC-UUYOSTAYSA-N 0 0 437.289 5.653 50 30 biogenic IKEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002453564 569180867 /nfs/dbraw/zinc/18/08/67/569180867.db2.gz OAUAVBCLGOXHET-UHFFFAOYSA-N 0 0 434.609 5.776 50 30 IKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S ZINC000002533063 569180921 /nfs/dbraw/zinc/18/09/21/569180921.db2.gz UHBOETHASHIRCZ-MOSHPQCFSA-N 0 0 435.549 5.374 50 30 IKEARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000252448863 569183894 /nfs/dbraw/zinc/18/38/94/569183894.db2.gz FHIHDASURXFVSB-OMSPMETCSA-N 0 0 444.585 7.913 50 30 IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O ZINC000002128137 569184168 /nfs/dbraw/zinc/18/41/68/569184168.db2.gz FRBVDOPMDIZHET-PSHHWHLWSA-N 0 0 444.870 5.883 50 30 biogenic IKEARN CCCCCCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 ZINC000002138379 569185293 /nfs/dbraw/zinc/18/52/93/569185293.db2.gz GZOLCLJYUZVNFN-HPXJJZNJSA-N 0 0 446.635 6.371 50 30 biogenic IKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O ZINC000002135464 569185346 /nfs/dbraw/zinc/18/53/46/569185346.db2.gz KYAGIFOYOBVIJX-PSHHWHLWSA-N 0 0 428.415 5.368 50 30 biogenic IKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O ZINC000002135470 569185410 /nfs/dbraw/zinc/18/54/10/569185410.db2.gz KYAGIFOYOBVIJX-IZVPMIMASA-N 0 0 428.415 5.368 50 30 biogenic IKEARN Cc1cccc(NC(=S)N/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)c1 ZINC000002553292 569185901 /nfs/dbraw/zinc/18/59/01/569185901.db2.gz KAYPECWNGRJNIE-WPWMEQJKSA-N 0 0 439.540 5.688 50 30 IKEARN C=CCOc1ccc(Br)cc1/C=C1/SC(=N)N(c2ccc(F)cc2)C1=O ZINC000002155154 569187600 /nfs/dbraw/zinc/18/76/00/569187600.db2.gz XPDIZTQXAOYALJ-CDLNYGKDSA-N 0 0 433.302 5.209 50 30 IKEARN O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3F)cc1)Nc1ccc3ccccc3c12 ZINC000002191669 569190684 /nfs/dbraw/zinc/19/06/84/569190684.db2.gz GNCZFYYXNDJFPJ-PMERELPUSA-N 0 0 449.525 7.231 50 30 IKEARN N#Cc1ccccc1Cn1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc21 ZINC000002209188 569191956 /nfs/dbraw/zinc/19/19/56/569191956.db2.gz KYZHDALYBFZPPU-FYJGNVAPSA-N 0 0 436.898 6.196 50 30 IKEARN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)SC1=Nc1ccccc1 ZINC000252591393 569192477 /nfs/dbraw/zinc/19/24/77/569192477.db2.gz BAZHUGCCVDXIAJ-QWKKMKHHSA-N 0 0 437.952 5.381 50 30 IKEARN Cc1ccc2oc(-c3ccc(N=Cc4cc(C)cc(Br)c4O)cc3O)nc2c1 ZINC000252591194 569192535 /nfs/dbraw/zinc/19/25/35/569192535.db2.gz AYWLYDJECWPBRF-UHFFFAOYSA-N 0 0 437.293 6.036 50 30 IKEARN COCCN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)SC1=Nc1ccccc1 ZINC000252591392 569192574 /nfs/dbraw/zinc/19/25/74/569192574.db2.gz BAZHUGCCVDXIAJ-LIKMOULWSA-N 0 0 437.952 5.381 50 30 IKEARN O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252593555 569192762 /nfs/dbraw/zinc/19/27/62/569192762.db2.gz BKVSGKFSOGKEMG-OAQYLSRUSA-N 0 0 427.451 6.052 50 30 IKEARN CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl ZINC000252593058 569192773 /nfs/dbraw/zinc/19/27/73/569192773.db2.gz BISOAEKHCGVFAS-ONCLNOLOSA-N 0 0 442.009 6.280 50 30 IKEARN CCOc1ccc(/C=C2/SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC ZINC000252593812 569192846 /nfs/dbraw/zinc/19/28/46/569192846.db2.gz BMJMLUVREAWAQT-OAMOUCEHSA-N 0 0 436.455 5.347 50 30 IKEARN Brc1cccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000252593478 569192859 /nfs/dbraw/zinc/19/28/59/569192859.db2.gz BKGCJBMQNKPMLM-UHFFFAOYSA-N 0 0 430.309 5.414 50 30 IKEARN CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000252593508 569192866 /nfs/dbraw/zinc/19/28/66/569192866.db2.gz BKLPEKOJKKUVLX-DEOSSOPVSA-N 0 0 438.358 5.761 50 30 IKEARN COc1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1OC ZINC000252594642 569192960 /nfs/dbraw/zinc/19/29/60/569192960.db2.gz BUEYLKHZRGSIHI-UHFFFAOYSA-N 0 0 426.303 6.305 50 30 IKEARN CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1cccc2ccccc21 ZINC000252594296 569192984 /nfs/dbraw/zinc/19/29/84/569192984.db2.gz BQLAPSVLVYMZJW-QHCPKHFHSA-N 0 0 439.540 5.583 50 30 IKEARN Cc1ccc2nc(-c3ccc(N=Cc4ccc(-c5cccc(Cl)c5)o4)cc3)sc2c1 ZINC000252594991 569193045 /nfs/dbraw/zinc/19/30/45/569193045.db2.gz BWVWUVLRNZZABV-UHFFFAOYSA-N 0 0 428.944 7.936 50 30 IKEARN O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)S/C1=C/c1cccc(C(F)(F)F)c1 ZINC000252594875 569193070 /nfs/dbraw/zinc/19/30/70/569193070.db2.gz BWLFGIDXLHWSEC-WBRVZVRESA-N 0 0 444.265 5.606 50 30 IKEARN C=CCN1c2ccccc2/C(=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)C1=O ZINC000252595045 569193077 /nfs/dbraw/zinc/19/30/77/569193077.db2.gz BXXRDAYKUQBRGG-OHHJCTMOSA-N 0 0 437.524 5.398 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252596075 569193191 /nfs/dbraw/zinc/19/31/91/569193191.db2.gz CGSSCFISYSKLIY-OMSSWJLUSA-N 0 0 435.892 6.057 50 30 IKEARN COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C ZINC000252596055 569193198 /nfs/dbraw/zinc/19/31/98/569193198.db2.gz CGGREFCLEAARCV-HHHXNRCGSA-N 0 0 437.564 7.403 50 30 IKEARN C=C(C)Cn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002206218 569193211 /nfs/dbraw/zinc/19/32/11/569193211.db2.gz JZKAWKJBNZLLGL-UHFFFAOYSA-N 0 0 444.625 6.135 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1 ZINC000252595876 569193215 /nfs/dbraw/zinc/19/32/15/569193215.db2.gz CETBOSDRFADZJF-SIFMURAYSA-N 0 0 445.588 6.117 50 30 IKEARN COc1ccc(N=C2S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000252597780 569193404 /nfs/dbraw/zinc/19/34/04/569193404.db2.gz CVLCOTMAMDSXPO-DRIWLZCMSA-N 0 0 434.492 5.652 50 30 IKEARN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)SC1=Nc1ccccc1 ZINC000252600893 569193595 /nfs/dbraw/zinc/19/35/95/569193595.db2.gz DVEURUIBUFCIJC-ZRAGWZJNSA-N 0 0 425.513 5.371 50 30 IKEARN CCOc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252599924 569193650 /nfs/dbraw/zinc/19/36/50/569193650.db2.gz DMVNZPBABRIATL-SIFMURAYSA-N 0 0 428.557 6.511 50 30 IKEARN Oc1ccc(Cc2ccccc2Cl)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000252601403 569193793 /nfs/dbraw/zinc/19/37/93/569193793.db2.gz DZUAXGVASOYPKK-UHFFFAOYSA-N 0 0 438.914 7.195 50 30 IKEARN Cc1ccsc1/C=C1\SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000252602449 569194012 /nfs/dbraw/zinc/19/40/12/569194012.db2.gz FIJWMXCSVRBIGI-WPCCGSCNSA-N 0 0 432.614 7.099 50 30 IKEARN Cc1ccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000252603422 569194089 /nfs/dbraw/zinc/19/40/89/569194089.db2.gz FQVLSWDMJUPTCT-QUUTUTFFSA-N 0 0 440.612 7.346 50 30 IKEARN CCOc1ccc(C(CCCCCCCC(=NO)c2ccc(OCC)cc2)=NO)cc1 ZINC000252603231 569194150 /nfs/dbraw/zinc/19/41/50/569194150.db2.gz FOUGSWFUINRTOL-UHFFFAOYSA-N 0 0 426.557 6.272 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)ccc1Cl ZINC000252604182 569194273 /nfs/dbraw/zinc/19/42/73/569194273.db2.gz FXVWHACBOFDDJZ-MRXNPFEDSA-N 0 0 440.327 5.113 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)ccc1Cl ZINC000252604181 569194312 /nfs/dbraw/zinc/19/43/12/569194312.db2.gz FXVWHACBOFDDJZ-INIZCTEOSA-N 0 0 440.327 5.113 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C ZINC000252605665 569194367 /nfs/dbraw/zinc/19/43/67/569194367.db2.gz GLNJMEZRLIUPJR-WMNDBZMJSA-N 0 0 432.501 5.229 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252606331 569194515 /nfs/dbraw/zinc/19/45/15/569194515.db2.gz GRDGUXROMHEQPC-DNKROPNVSA-N 0 0 428.557 6.326 50 30 IKEARN S=C1N(c2ccccc2)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252606994 569194556 /nfs/dbraw/zinc/19/45/56/569194556.db2.gz GXEVEEXXLMAMHC-UHFFFAOYSA-N 0 0 432.552 6.759 50 30 IKEARN CCN(CC)c1ccc2cc(-c3csc(NN=Cc4ccc(OC)cc4)n3)c(=O)oc2c1 ZINC000252606561 569194594 /nfs/dbraw/zinc/19/45/94/569194594.db2.gz GTJBEUKKECHZAI-UHFFFAOYSA-N 0 0 448.548 5.217 50 30 IKEARN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1cccc(C)c1 ZINC000252607182 569194694 /nfs/dbraw/zinc/19/46/94/569194694.db2.gz GZDFUFJCLKDMIW-CUCKYGFWSA-N 0 0 425.579 5.388 50 30 IKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn32)o1 ZINC000252611964 569197271 /nfs/dbraw/zinc/19/72/71/569197271.db2.gz IOULCBCYJNRBJR-UHFFFAOYSA-N 0 0 426.432 6.130 50 30 IKEARN COc1ccc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 ZINC000252610860 569197320 /nfs/dbraw/zinc/19/73/20/569197320.db2.gz IEXXONXICYJMNB-SUOSWRNOSA-N 0 0 429.545 5.570 50 30 IKEARN C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O ZINC000252613254 569197377 /nfs/dbraw/zinc/19/73/77/569197377.db2.gz JACQLCOQEXLMCM-GXVPZIMRSA-N 0 0 448.588 6.066 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000252613754 569197425 /nfs/dbraw/zinc/19/74/25/569197425.db2.gz JDTZZLWRDILTTD-UHFFFAOYSA-N 0 0 443.300 6.867 50 30 IKEARN O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000252617378 569197611 /nfs/dbraw/zinc/19/76/11/569197611.db2.gz KRMHUPHTIHZVRU-UHFFFAOYSA-N 0 0 446.721 5.936 50 30 IKEARN Nc1ccccc1N=C1C=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C1=O ZINC000252616655 569197701 /nfs/dbraw/zinc/19/77/01/569197701.db2.gz KCWZGDITJUVXIB-UHFFFAOYSA-N 0 0 430.511 5.978 50 30 IKEARN COc1ccc(N2C(SC)=NC(=Nc3ccc(Cl)cc3)C23CCC(C)CC3)cc1 ZINC000252616303 569197711 /nfs/dbraw/zinc/19/77/11/569197711.db2.gz JZCBHVKCCIGOQQ-UHFFFAOYSA-N 0 0 428.001 6.567 50 30 IKEARN CN1c2cc(Cl)ccc2S/C1=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252618125 569197945 /nfs/dbraw/zinc/19/79/45/569197945.db2.gz LEGFWWCGZGFWME-CVJJEBQVSA-N 0 0 449.988 6.519 50 30 IKEARN Cc1ccc2oc(-c3cccc(N=Cc4ccc(OC(=O)c5ccco5)cc4)c3C)nc2c1 ZINC000252618641 569198154 /nfs/dbraw/zinc/19/81/54/569198154.db2.gz LJEOQQZUIRIEJU-UHFFFAOYSA-N 0 0 436.467 6.674 50 30 IKEARN CC[C@@H](C)Oc1c(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC ZINC000252619144 569198164 /nfs/dbraw/zinc/19/81/64/569198164.db2.gz LNIFIALKAWDNAG-QASFRJFQSA-N 0 0 440.565 5.123 50 30 IKEARN Cc1[nH]c2ccccc2c1C=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000252619406 569198166 /nfs/dbraw/zinc/19/81/66/569198166.db2.gz LOQGFQMILICOSK-UHFFFAOYSA-N 0 0 427.573 6.097 50 30 IKEARN COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3ccccc3)N(c3ccccc3)C1=O)S2 ZINC000252619645 569198540 /nfs/dbraw/zinc/19/85/40/569198540.db2.gz LRTLXHFKGLXMSR-CSFSZXLXSA-N 0 0 445.569 5.874 50 30 IKEARN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C)c(C)c1 ZINC000252619874 569198720 /nfs/dbraw/zinc/19/87/20/569198720.db2.gz LTLKXHYORSIHQV-NARSBJQYSA-N 0 0 442.584 6.506 50 30 IKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(OC)c(Br)c4)ccc3o2)cc1 ZINC000252619959 569198745 /nfs/dbraw/zinc/19/87/45/569198745.db2.gz LUXANNRSYYJYCU-UHFFFAOYSA-N 0 0 437.293 6.025 50 30 IKEARN Cc1ccc(N=NC(N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C(C)C)cc1 ZINC000252620724 569199303 /nfs/dbraw/zinc/19/93/03/569199303.db2.gz MKOYMYUJFTUVRX-UHFFFAOYSA-N 0 0 434.547 7.284 50 30 IKEARN Cc1cccc(N=C2S/C(=C\c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C ZINC000252620927 569201564 /nfs/dbraw/zinc/20/15/64/569201564.db2.gz MPHGYVPESXJXRT-HGNJTZEFSA-N 0 0 440.366 5.781 50 30 IKEARN Cc1ccccc1N=C1S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C ZINC000252621022 569201628 /nfs/dbraw/zinc/20/16/28/569201628.db2.gz MRDUCHUHMFQMJK-NARSBJQYSA-N 0 0 426.585 7.235 50 30 IKEARN O=C(NCc1ccccc1)c1c(N=Cc2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000252621182 569201662 /nfs/dbraw/zinc/20/16/62/569201662.db2.gz MUQBGVONZVWWRL-UHFFFAOYSA-N 0 0 432.545 5.079 50 30 IKEARN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000252621531 569201680 /nfs/dbraw/zinc/20/16/80/569201680.db2.gz NAPOFXOYNJXIQX-GUGSDYAWSA-N 0 0 444.556 6.216 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C(C)C)cc1 ZINC000252621864 569201722 /nfs/dbraw/zinc/20/17/22/569201722.db2.gz NIHKSWNBESYGTQ-QHCPKHFHSA-N 0 0 449.620 6.080 50 30 IKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O ZINC000252621798 569201745 /nfs/dbraw/zinc/20/17/45/569201745.db2.gz NGXRSFDDJYYEKR-GCNWNYGFSA-N 0 0 444.556 6.216 50 30 IKEARN C(=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1ccccc1 ZINC000252621910 569201756 /nfs/dbraw/zinc/20/17/56/569201756.db2.gz NJYHHTCFAHCIPJ-NSOVKSMOSA-N 0 0 428.579 7.315 50 30 IKEARN CCOc1cc(C=NNc2ccc(Br)cc2)cc(Br)c1OC ZINC000252622666 569201937 /nfs/dbraw/zinc/20/19/37/569201937.db2.gz NZYOMTIPYJXZGK-UHFFFAOYSA-N 0 0 428.124 5.065 50 30 IKEARN CCc1ccc(N=C2S/C(=C/c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252623232 569202131 /nfs/dbraw/zinc/20/21/31/569202131.db2.gz OMVXEYJMJIXGKS-MPVWDOOLSA-N 0 0 432.614 6.990 50 30 IKEARN Clc1ccc2[nH]c3c(c2c1)CCCC3=NN=C1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000252623434 569202133 /nfs/dbraw/zinc/20/21/33/569202133.db2.gz ORICKPRFFDPIKK-UHFFFAOYSA-N 0 0 435.358 6.822 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252623233 569202135 /nfs/dbraw/zinc/20/21/35/569202135.db2.gz OMVXEYJMJIXGKS-ZYITZIQLSA-N 0 0 432.614 6.990 50 30 IKEARN COc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O ZINC000252623757 569202164 /nfs/dbraw/zinc/20/21/64/569202164.db2.gz OYOOXVFUTXGTNZ-JXJWTFEASA-N 0 0 430.529 5.826 50 30 IKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)o1 ZINC000252623719 569202170 /nfs/dbraw/zinc/20/21/70/569202170.db2.gz OXUQISYJXBUFNT-APOQOXIPSA-N 0 0 435.461 5.097 50 30 IKEARN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(Cl)cc1 ZINC000252623709 569202189 /nfs/dbraw/zinc/20/21/89/569202189.db2.gz OXQMEXUSNHIDJV-QCRKUUAFSA-N 0 0 431.970 5.343 50 30 IKEARN Cc1ccc2c(c1)/C(=C1/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C1=O)C(=O)N2 ZINC000252624122 569202558 /nfs/dbraw/zinc/20/25/58/569202558.db2.gz PGTGMJXKKDIUMY-SHXUIJRESA-N 0 0 439.540 5.743 50 30 IKEARN CC(=O)c1ccc(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)cc1 ZINC000252624706 569202866 /nfs/dbraw/zinc/20/28/66/569202866.db2.gz PTIWGBQPYJNAKU-GCZSNCSJSA-N 0 0 448.316 6.021 50 30 IKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1cccc(C(C)=O)c1 ZINC000252624526 569202887 /nfs/dbraw/zinc/20/28/87/569202887.db2.gz PPRTURXVOAQUBA-QFIPXVFZSA-N 0 0 449.576 5.159 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1cccc(C(C)=O)c1 ZINC000252624525 569202892 /nfs/dbraw/zinc/20/28/92/569202892.db2.gz PPRTURXVOAQUBA-JOCHJYFZSA-N 0 0 449.576 5.159 50 30 IKEARN Cc1nc2cc(N=Cc3ccc(Br)c([N+](=O)[O-])c3)ccc2n1Cc1ccccc1 ZINC000252625330 569203153 /nfs/dbraw/zinc/20/31/53/569203153.db2.gz QHPDNENGOCDLED-UHFFFAOYSA-N 0 0 449.308 5.814 50 30 IKEARN COc1ccc(C=Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1Br ZINC000252625940 569203173 /nfs/dbraw/zinc/20/31/73/569203173.db2.gz QSKVIGSLLCJWQV-UHFFFAOYSA-N 0 0 437.293 6.031 50 30 IKEARN CC(=NOC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000252626114 569203183 /nfs/dbraw/zinc/20/31/83/569203183.db2.gz QWWRJVFHVPGQED-UHFFFAOYSA-N 0 0 436.555 7.223 50 30 IKEARN Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000252625887 569203200 /nfs/dbraw/zinc/20/32/00/569203200.db2.gz QRJJEGAJXVEBNE-UHFFFAOYSA-N 0 0 429.134 6.118 50 30 investigational IKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252626255 569203314 /nfs/dbraw/zinc/20/33/14/569203314.db2.gz QZFGQBJWAPWRSN-MJBUPYINSA-N 0 0 425.340 6.802 50 30 IKEARN O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)Nc1ccccc1F ZINC000252626557 569203315 /nfs/dbraw/zinc/20/33/15/569203315.db2.gz RBDMPKMBAGHIQX-UHFFFAOYSA-N 0 0 437.521 5.622 50 30 IKEARN Cc1ccc([C@]2(C(F)(F)F)NC(=S)N(c3ccccc3)C(=Nc3ccccc3)O2)cc1 ZINC000252626581 569203386 /nfs/dbraw/zinc/20/33/86/569203386.db2.gz RBRWXIOFTJHVEM-QFIPXVFZSA-N 0 0 441.478 5.809 50 30 IKEARN Cc1ccccc1N=C1S/C(=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C ZINC000252626887 569203400 /nfs/dbraw/zinc/20/34/00/569203400.db2.gz RHQRPBLOUIICFI-HDRSTDRBSA-N 0 0 445.500 6.169 50 30 IKEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc2ccccc21 ZINC000252628106 569203581 /nfs/dbraw/zinc/20/35/81/569203581.db2.gz SIDJDATZBYQNHC-QFIPXVFZSA-N 0 0 431.561 5.437 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000252628449 569203602 /nfs/dbraw/zinc/20/36/02/569203602.db2.gz SQKWGNBLDPPRJC-NARSBJQYSA-N 0 0 443.616 6.677 50 30 IKEARN CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(OCC)cc1 ZINC000252628206 569203610 /nfs/dbraw/zinc/20/36/10/569203610.db2.gz SKXGJPMPICTUNM-KGXUUABDSA-N 0 0 440.565 5.507 50 30 IKEARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000252628548 569203633 /nfs/dbraw/zinc/20/36/33/569203633.db2.gz SSOHTJSQYFYSSO-ZNCAUEQNSA-N 0 0 428.557 5.850 50 30 IKEARN CCc1ccc(N=C2S/C(=C\c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252628518 569203635 /nfs/dbraw/zinc/20/36/35/569203635.db2.gz SRZZRVYDVLHOKV-GGNNGZDKSA-N 0 0 440.612 7.237 50 30 IKEARN CCc1ccccc1N=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 ZINC000252628270 569203696 /nfs/dbraw/zinc/20/36/96/569203696.db2.gz SMEIBFKIOWIDLV-ZQXLJOGCSA-N 0 0 434.561 5.914 50 30 IKEARN O=[N+]([O-])c1cccc(/C=C/C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000252628699 569203723 /nfs/dbraw/zinc/20/37/23/569203723.db2.gz SVVNCOSUAMKAGP-XAVUPTSGSA-N 0 0 448.276 6.581 50 30 IKEARN COc1cccc(C=Nc2ccc(-c3ccc(N=Cc4cccc(OC)c4)c(C)c3)cc2C)c1 ZINC000252628837 569203736 /nfs/dbraw/zinc/20/37/36/569203736.db2.gz SZEIUSDFULKYCP-UHFFFAOYSA-N 0 0 448.566 7.489 50 30 IKEARN COc1cc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O ZINC000252628810 569203766 /nfs/dbraw/zinc/20/37/66/569203766.db2.gz SYGYADBSIGVFRH-ZQXLJOGCSA-N 0 0 430.529 5.826 50 30 IKEARN c1ccc(N=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1 ZINC000252629050 569203772 /nfs/dbraw/zinc/20/37/72/569203772.db2.gz TXPDBMSODBCQAQ-UZKHZQDVSA-N 0 0 444.648 7.517 50 30 IKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1c(C)cccc1C ZINC000252628938 569203791 /nfs/dbraw/zinc/20/37/91/569203791.db2.gz TVEUZCVLQJDPAK-OAQYLSRUSA-N 0 0 435.593 5.573 50 30 IKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C ZINC000252628814 569203824 /nfs/dbraw/zinc/20/38/24/569203824.db2.gz SYKIJTGLLQMAQW-DNKROPNVSA-N 0 0 444.556 6.291 50 30 IKEARN COc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1OC(C)C ZINC000252629283 569203881 /nfs/dbraw/zinc/20/38/81/569203881.db2.gz UCQHXBRMZRORQK-UHFFFAOYSA-N 0 0 444.700 5.186 50 30 IKEARN CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OC)c1 ZINC000252629602 569203903 /nfs/dbraw/zinc/20/39/03/569203903.db2.gz UJUOMSBOBXQIEM-LAJNNLEESA-N 0 0 439.581 5.174 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1cc(Cl)ccc1C ZINC000252630135 569204044 /nfs/dbraw/zinc/20/40/44/569204044.db2.gz UVGSRIKXBAAQKN-GOSISDBHSA-N 0 0 429.973 5.245 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000252630693 569204117 /nfs/dbraw/zinc/20/41/17/569204117.db2.gz VDLYBHHNMHNKHX-UHFFFAOYSA-N 0 0 427.264 5.914 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1 ZINC000252631155 569204488 /nfs/dbraw/zinc/20/44/88/569204488.db2.gz VIWOCADVAOAYEJ-IRZHRRCCSA-N 0 0 426.538 5.117 50 30 IKEARN COc1ccc(N=CC2=C(c3cccs3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1 ZINC000252630930 569204499 /nfs/dbraw/zinc/20/44/99/569204499.db2.gz VFZJJXPBAFCJGD-MHZLTWQESA-N 0 0 437.564 7.403 50 30 IKEARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1/N=C/c1cccs1 ZINC000002220628 569204558 /nfs/dbraw/zinc/20/45/58/569204558.db2.gz ONUYUWSVNCCVTC-BRJLIKDPSA-N 0 0 446.923 5.016 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(CC)c2)c1=O ZINC000002222350 569204574 /nfs/dbraw/zinc/20/45/74/569204574.db2.gz HGSPGQDGLAHDPM-UHFFFAOYSA-N 0 0 439.563 5.816 50 30 IKEARN COC(=O)c1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000252631833 569204595 /nfs/dbraw/zinc/20/45/95/569204595.db2.gz VMWGBDZMGOXHLP-GQUXDKRHSA-N 0 0 442.540 5.899 50 30 IKEARN CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4cccnc4)nc3c2)c1O ZINC000252632050 569204840 /nfs/dbraw/zinc/20/48/40/569204840.db2.gz VPDUYAZYMYLVJF-UHFFFAOYSA-N 0 0 438.281 5.507 50 30 IKEARN CC(C)(C)c1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(F)cc5)o4)ccc3o2)cc1 ZINC000252632222 569204900 /nfs/dbraw/zinc/20/49/00/569204900.db2.gz VQYWPMZHMQMNHQ-UHFFFAOYSA-N 0 0 438.502 7.942 50 30 IKEARN Clc1ccc(-c2ccc(C=Nc3ccc4oc(-c5ccccc5)nc4c3)o2)c(Cl)c1 ZINC000252632799 569204921 /nfs/dbraw/zinc/20/49/21/569204921.db2.gz VXBTWDQTPZPEPN-UHFFFAOYSA-N 0 0 433.294 7.812 50 30 IKEARN Brc1ccc2nc(N=NCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000252632915 569205047 /nfs/dbraw/zinc/20/50/47/569205047.db2.gz VXWVVGAYIPTIMX-UHFFFAOYSA-N 0 0 443.308 5.382 50 30 IKEARN CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccc(C)c(C)c1 ZINC000252632671 569205050 /nfs/dbraw/zinc/20/50/50/569205050.db2.gz VWJDRYKVGRMRDT-LJQANCHMSA-N 0 0 429.973 5.245 50 30 IKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252633836 569206079 /nfs/dbraw/zinc/20/60/79/569206079.db2.gz WHAQREIOMFWERS-MJBUPYINSA-N 0 0 431.388 6.930 50 30 IKEARN COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000252634596 569206904 /nfs/dbraw/zinc/20/69/04/569206904.db2.gz WOWVYLDBBKOZML-GCNWNYGFSA-N 0 0 444.556 6.129 50 30 IKEARN CC(C)(C)c1cc(N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000252635727 569207915 /nfs/dbraw/zinc/20/79/15/569207915.db2.gz WZZZRMIDDQGNHY-UHFFFAOYSA-N 0 0 437.668 8.038 50 30 IKEARN CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C/c3cccc(Br)c3)S1)C2 ZINC000252636178 569208065 /nfs/dbraw/zinc/20/80/65/569208065.db2.gz XGBYPXJUPDRINW-NUHLCPQHSA-N 0 0 432.387 5.211 50 30 IKEARN CCOc1ccc(N=C2S/C(=C\c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000252638116 569208183 /nfs/dbraw/zinc/20/81/83/569208183.db2.gz XZNYWKZYTUABSV-MMKHHPBPSA-N 0 0 444.556 6.293 50 30 IKEARN Cc1ccc(N=C2S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252638032 569208236 /nfs/dbraw/zinc/20/82/36/569208236.db2.gz XYYLBIODGXJWHQ-UYJNXHFOSA-N 0 0 426.585 7.235 50 30 IKEARN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=Nc1ccccc1 ZINC000252638266 569208313 /nfs/dbraw/zinc/20/83/13/569208313.db2.gz YAQQDEQVRJHYNY-CMEWOCMCSA-N 0 0 431.561 5.345 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000252639570 569208492 /nfs/dbraw/zinc/20/84/92/569208492.db2.gz YMCXLLPIHSKVQS-LSQMVHIFSA-N 0 0 437.524 5.167 50 30 IKEARN CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000252639569 569208554 /nfs/dbraw/zinc/20/85/54/569208554.db2.gz YMCPRNQLKXTWCB-UHFFFAOYSA-N 0 0 437.293 6.112 50 30 IKEARN C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O ZINC000252640269 569208682 /nfs/dbraw/zinc/20/86/82/569208682.db2.gz YSLXPAUGCBPIFW-JXJWTFEASA-N 0 0 446.528 5.527 50 30 IKEARN COc1ccc(OC)c(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 ZINC000252640616 569208729 /nfs/dbraw/zinc/20/87/29/569208729.db2.gz YVSUAAIWHCGNFG-GUGSDYAWSA-N 0 0 444.556 6.129 50 30 IKEARN CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252641483 569209382 /nfs/dbraw/zinc/20/93/82/569209382.db2.gz ZDCKDNINEZLETI-GVFZAWILSA-N 0 0 426.538 5.204 50 30 IKEARN O=[N+]([O-])c1cc(C=Nc2ccc3sc(-c4ccc(Cl)cc4)nc3c2)ccc1Cl ZINC000252642512 569209444 /nfs/dbraw/zinc/20/94/44/569209444.db2.gz ZMPNGLHGFGEGBT-UHFFFAOYSA-N 0 0 428.300 6.929 50 30 IKEARN COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 ZINC000252642741 569209459 /nfs/dbraw/zinc/20/94/59/569209459.db2.gz ZPCSONYMHSEOKG-GUGSDYAWSA-N 0 0 444.556 6.129 50 30 IKEARN O=[N+]([O-])c1ccc(/C=C/C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000252644135 569209599 /nfs/dbraw/zinc/20/95/99/569209599.db2.gz ZZTDCIIRPGOJRR-VOGNUWCJSA-N 0 0 438.270 7.126 50 30 IKEARN O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\C1=Cc2ccccc2OC1 ZINC000002230947 569210397 /nfs/dbraw/zinc/21/03/97/569210397.db2.gz RKKCASPPSLYVJF-MSXFZWOLSA-N 0 0 427.412 5.109 50 30 IKEARN CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000002914929 569212799 /nfs/dbraw/zinc/21/27/99/569212799.db2.gz RHNBRQVHDQNTMP-OEAKJJBVSA-N 0 0 433.485 5.902 50 30 IKEARN O=C(Nc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(F)c1 ZINC000003082698 569213140 /nfs/dbraw/zinc/21/31/40/569213140.db2.gz NUMXVEZCWGSGCP-UHFFFAOYSA-N 0 0 445.281 5.628 50 30 IKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1 ZINC000003085175 569213179 /nfs/dbraw/zinc/21/31/79/569213179.db2.gz TZSLCILXKHLQFZ-BHGWPJFGSA-N 0 0 425.257 6.161 50 30 IKEARN O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)o1 ZINC000003144713 569213300 /nfs/dbraw/zinc/21/33/00/569213300.db2.gz ZTWDQNAHYITOAE-VULFUBBASA-N 0 0 443.846 7.067 50 30 IKEARN CC(=O)c1ccc(N2C(=S)N=C(Nc3ccccc3C)C23CCC(C(C)(C)C)CC3)cc1 ZINC000027471931 569213978 /nfs/dbraw/zinc/21/39/78/569213978.db2.gz DNSSVUFIXPZXGV-UHFFFAOYSA-N 0 0 447.648 6.597 50 30 IKEARN Cc1ccc(NC2=NC(=S)N(c3cccc(Cl)c3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000027471965 569214002 /nfs/dbraw/zinc/21/40/02/569214002.db2.gz WPAUPWMNOCFCLI-UHFFFAOYSA-N 0 0 440.056 7.048 50 30 IKEARN O=C(/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000027474050 569214172 /nfs/dbraw/zinc/21/41/72/569214172.db2.gz SHRIWFBMSXEZQC-POICXBNUSA-N 0 0 431.333 6.196 50 30 IKEARN O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000002246797 569214506 /nfs/dbraw/zinc/21/45/06/569214506.db2.gz XXQXNPFDFHFSKC-IBGZPJMESA-N 0 0 429.701 6.180 50 30 IKEARN C=C(C)Cn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002252924 569215060 /nfs/dbraw/zinc/21/50/60/569215060.db2.gz FGZZJNGRXDXLLI-UHFFFAOYSA-N 0 0 442.628 6.455 50 30 IKEARN N#Cc1c2c(c(-c3ccc(Cl)cc3)nc1SCc1nc3ccccc3[nH]1)CCCC2 ZINC000002256143 569215214 /nfs/dbraw/zinc/21/52/14/569215214.db2.gz NVRFNVMLOCHGRI-UHFFFAOYSA-N 0 0 430.964 6.321 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000002261075 569215671 /nfs/dbraw/zinc/21/56/71/569215671.db2.gz HNCZVNSWRRRRSL-UHJWXMBMSA-N 0 0 444.398 5.473 50 30 IKEARN CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000002260457 569215710 /nfs/dbraw/zinc/21/57/10/569215710.db2.gz RGFJLHSGFCIJKQ-JYAWBRCSSA-N 0 0 439.581 5.037 50 30 IKEARN CSc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 ZINC000027500033 569216423 /nfs/dbraw/zinc/21/64/23/569216423.db2.gz BOMAVHIAQDSVEG-HNEFAFEWSA-N 0 0 430.598 6.834 50 30 IKEARN O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1 ZINC000002256879 569216974 /nfs/dbraw/zinc/21/69/74/569216974.db2.gz OAMPGTZPOVSCHJ-IBGZPJMESA-N 0 0 429.701 6.180 50 30 IKEARN CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000009805290 569217009 /nfs/dbraw/zinc/21/70/09/569217009.db2.gz ZWOYZOAVXBSZMW-GTYOFVGBSA-N 0 0 444.578 7.425 50 30 IKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000002272785 569217723 /nfs/dbraw/zinc/21/77/23/569217723.db2.gz WDDNOCIFYYEXFM-UHFFFAOYSA-N 0 0 426.651 6.779 50 30 IKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)c1 ZINC000027520687 569218292 /nfs/dbraw/zinc/21/82/92/569218292.db2.gz AUJXYYKQTNPWDC-OYKKKHCWSA-N 0 0 439.540 5.646 50 30 IKEARN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cccc(N(C)C)c3)C[C@@]21C ZINC000071766907 569258538 /nfs/dbraw/zinc/25/85/38/569258538.db2.gz MREOZLCREPXSCQ-VBWGZTFCSA-N 0 0 429.604 5.407 50 30 IKEARN CCCCCCCCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2s1 ZINC000138165961 569262885 /nfs/dbraw/zinc/26/28/85/569262885.db2.gz RBYDFXAPMDTYEB-GQSCTRQFSA-N 0 0 440.634 6.060 50 30 IKEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(I)cc1C ZINC000002282130 569263353 /nfs/dbraw/zinc/26/33/53/569263353.db2.gz MEPXYGHXNMSPSP-SRZZPIQSSA-N 0 0 435.696 5.498 50 30 IKEARN Cc1ccccc1-n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccccc1Cl ZINC000002281252 569263370 /nfs/dbraw/zinc/26/33/70/569263370.db2.gz TXWBWALLNGXLGO-UHFFFAOYSA-N 0 0 437.890 5.660 50 30 IKEARN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1 ZINC000027527948 569263444 /nfs/dbraw/zinc/26/34/44/569263444.db2.gz PFEWZTWVQXTLCZ-KCENJROVSA-N 0 0 430.980 6.471 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1 ZINC000027527947 569263453 /nfs/dbraw/zinc/26/34/53/569263453.db2.gz PFEWZTWVQXTLCZ-ZMDPPLQJSA-N 0 0 430.980 6.471 50 30 IKEARN C=CCN1C(=O)/C(=C/c2ccccc2OCCSc2ccc(Cl)cc2)SC1=S ZINC000027527894 569263456 /nfs/dbraw/zinc/26/34/56/569263456.db2.gz VTJUTJBWERJEPM-RGEXLXHISA-N 0 0 448.034 5.898 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1 ZINC000027527945 569263502 /nfs/dbraw/zinc/26/35/02/569263502.db2.gz XGARXZOHWZUNPN-NFBCLFKXSA-N 0 0 428.605 6.832 50 30 IKEARN O=C1C=C(Cl)[C@H]2C=C(Nc3ccccc3)c3c(O)cc(Cl)c4cc(Cl)c1c2c43 ZINC000113498486 569263726 /nfs/dbraw/zinc/26/37/26/569263726.db2.gz WCNPWOWCHXMXAQ-GFCCVEGCSA-N 0 0 428.702 6.721 50 30 IKEARN C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)c1=O ZINC000002285288 569263851 /nfs/dbraw/zinc/26/38/51/569263851.db2.gz AWGDPKTYLLGOGP-UHFFFAOYSA-N 0 0 436.302 5.085 50 30 IKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000027533016 569266904 /nfs/dbraw/zinc/26/69/04/569266904.db2.gz LHWJUNDHHZXMFR-DEOSSOPVSA-N 0 0 445.563 5.031 50 30 IKEARN CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000027534764 569267760 /nfs/dbraw/zinc/26/77/60/569267760.db2.gz CUIUOADXVJYRCI-ZLFJWLGHSA-N 0 0 427.573 5.599 50 30 IKEARN C=C(C)Cn1c(SCOCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002293254 569268038 /nfs/dbraw/zinc/26/80/38/569268038.db2.gz XJRDXTOFQNKYIF-UHFFFAOYSA-N 0 0 438.637 6.111 50 30 IKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000239203317 569268639 /nfs/dbraw/zinc/26/86/39/569268639.db2.gz SDATYLAYECXQEA-UHFFFAOYSA-N 0 0 428.561 6.206 50 30 IKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000239235625 569268732 /nfs/dbraw/zinc/26/87/32/569268732.db2.gz WJDXEUVLCKVSDU-UHFFFAOYSA-N 0 0 442.588 5.993 50 30 IKEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000244678848 569269337 /nfs/dbraw/zinc/26/93/37/569269337.db2.gz ILHIFKKJWXBAAR-UHFFFAOYSA-N 0 0 447.586 5.211 50 30 IKEARN Oc1ccc(Br)cc1C=Nc1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000245328187 569269895 /nfs/dbraw/zinc/26/98/95/569269895.db2.gz SZIVGTACOXHNSB-UHFFFAOYSA-N 0 0 442.316 6.373 50 30 IKEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Br)=Cc2ccccc2)cc1 ZINC000252429477 569271229 /nfs/dbraw/zinc/27/12/29/569271229.db2.gz TYPNHNNGNDVJIU-LEGYYREDSA-N 0 0 441.398 5.801 50 30 IKEARN O=C(c1cc(F)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 ZINC000002306128 569271682 /nfs/dbraw/zinc/27/16/82/569271682.db2.gz AJJLZQJXFPNRAY-BJKOFHAPSA-N 0 0 440.854 5.247 50 30 IKEARN O=C(Oc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1 ZINC000002304437 569271725 /nfs/dbraw/zinc/27/17/25/569271725.db2.gz BTTZHCJIYPQQBD-UHFFFAOYSA-N 0 0 438.266 5.501 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(Br)c1 ZINC000002306145 569271796 /nfs/dbraw/zinc/27/17/96/569271796.db2.gz DSQADTIMDSAVQD-XMMPIXPASA-N 0 0 432.361 6.912 50 30 IKEARN N#Cc1c(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCCCCC2 ZINC000002316569 569272427 /nfs/dbraw/zinc/27/24/27/569272427.db2.gz YYSLMVJUEUZWBL-UHFFFAOYSA-N 0 0 448.411 5.168 50 30 IKEARN C=C(Br)CSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000002316272 569272478 /nfs/dbraw/zinc/27/24/78/569272478.db2.gz KPGIXEPMXHGITM-UHFFFAOYSA-N 0 0 434.428 6.072 50 30 IKEARN N#Cc1c(SCc2ccc([N+](=O)[O-])cc2)nsc1SCc1ccc([N+](=O)[O-])cc1 ZINC000002314005 569272622 /nfs/dbraw/zinc/27/26/22/569272622.db2.gz MORIEZVIIBHGJZ-UHFFFAOYSA-N 0 0 444.519 5.416 50 30 IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]12 ZINC000253502204 569272827 /nfs/dbraw/zinc/27/28/27/569272827.db2.gz MQYXUWHLBZFQQO-UJZGQTOSSA-N 0 0 426.729 8.025 50 30 in-vitro IKEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000253499235 569272874 /nfs/dbraw/zinc/27/28/74/569272874.db2.gz UILXPFRZQGQVFT-DFUZWZBHSA-N 0 0 442.546 6.174 50 30 biogenic IKEARN CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253505578 569273032 /nfs/dbraw/zinc/27/30/32/569273032.db2.gz GGQIDQJAIYDGEX-XANUVNBQSA-N 0 0 427.585 5.436 50 30 biogenic IKEARN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@@H]12 ZINC000253614948 569273474 /nfs/dbraw/zinc/27/34/74/569273474.db2.gz MQYXUWHLBZFQQO-ZYMJEMKZSA-N 0 0 426.729 8.025 50 30 in-vitro IKEARN C/C(CCc1oc2c(cc(C)cc2Br)c1-c1ccc(C)o1)=N\NC(N)=S ZINC000027572237 569273633 /nfs/dbraw/zinc/27/36/33/569273633.db2.gz DLNADPOIODKSMT-SSDVNMTOSA-N 0 0 434.359 5.214 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000002344068 569275285 /nfs/dbraw/zinc/27/52/85/569275285.db2.gz JWWCACHAGZHTNP-JTQLQIEISA-N 0 0 446.022 5.739 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 ZINC000257348102 569280062 /nfs/dbraw/zinc/28/00/62/569280062.db2.gz BKOGUJNRCSWUNA-CAMDWXRESA-N 0 0 446.653 5.473 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000257347752 569280065 /nfs/dbraw/zinc/28/00/65/569280065.db2.gz SUISKBUAOOSHAW-UTUHKOEASA-N 0 0 444.612 5.265 50 30 IKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C ZINC000257347753 569280072 /nfs/dbraw/zinc/28/00/72/569280072.db2.gz SUISKBUAOOSHAW-YUQWHXGPSA-N 0 0 444.612 5.265 50 30 IKEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@@]3(C)[C@@H]1CC2 ZINC000257348118 569280171 /nfs/dbraw/zinc/28/01/71/569280171.db2.gz BNXIOYCVQJVXLJ-JVRLNNHWSA-N 0 0 434.617 6.332 50 30 IKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257348900 569280247 /nfs/dbraw/zinc/28/02/47/569280247.db2.gz JVBJMRIVVNLPKI-HYUIFOCXSA-N 0 0 433.677 6.024 50 30 IKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348656 569280309 /nfs/dbraw/zinc/28/03/09/569280309.db2.gz HVEXIRSOIACQFA-HRHCCUOVSA-N 0 0 430.677 7.378 50 30 IKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1 ZINC000257350152 569280515 /nfs/dbraw/zinc/28/05/15/569280515.db2.gz VEEBKUQFPONGGR-ILZOKFJHSA-N 0 0 444.700 7.171 50 30 IKEARN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H]5O[C@@H]5[C@@]34C)[C@@H]12 ZINC000257350252 569280600 /nfs/dbraw/zinc/28/06/00/569280600.db2.gz VXMOMCPHHMOJSD-XREUUOGISA-N 0 0 440.712 7.300 50 30 IKEARN CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1 ZINC000257350339 569280680 /nfs/dbraw/zinc/28/06/80/569280680.db2.gz WKPPTKDUKHFXEE-IUJDGSGRSA-N 0 0 428.701 7.276 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC[C@H]43)C2)cc1 ZINC000257355593 569280715 /nfs/dbraw/zinc/28/07/15/569280715.db2.gz BMEDGGDZYCTQMO-SQKGDCJDSA-N 0 0 442.621 5.601 50 30 IKEARN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1 ZINC000257355594 569280739 /nfs/dbraw/zinc/28/07/39/569280739.db2.gz BMEDGGDZYCTQMO-UPZNCPJBSA-N 0 0 442.621 5.601 50 30 IKEARN C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@@H]2C)CC1=O ZINC000257356408 569280887 /nfs/dbraw/zinc/28/08/87/569280887.db2.gz HVPFVUHFUULZFU-ISVIALBYSA-N 0 0 434.693 5.641 50 30 IKEARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@]21C ZINC000257358971 569281002 /nfs/dbraw/zinc/28/10/02/569281002.db2.gz XRLBQELEYBVDHJ-SJMILKLISA-N 0 0 444.612 5.265 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002351980 569282823 /nfs/dbraw/zinc/28/28/23/569282823.db2.gz GYJHFIMPDCWRBR-UHFFFAOYSA-N 0 0 429.568 5.224 50 30 IKEARN CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253500188 569283445 /nfs/dbraw/zinc/28/34/45/569283445.db2.gz YSSYRCSUIQKJPD-JCEDDHLOSA-N 0 0 444.700 7.651 50 30 biogenic IKEARN CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000253501612 569283588 /nfs/dbraw/zinc/28/35/88/569283588.db2.gz NKJYZYWCGKSMSV-QCAXCJEWSA-N 0 0 442.640 6.360 50 30 IKEARN C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000253531731 569283951 /nfs/dbraw/zinc/28/39/51/569283951.db2.gz BZDQWOZFIUXHLF-YBMGUYPWSA-N 0 0 434.576 5.578 50 30 IKEARN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1 ZINC000253532007 569283996 /nfs/dbraw/zinc/28/39/96/569283996.db2.gz IKAYYSYGCHKPAB-RLOWHMFASA-N 0 0 443.716 6.987 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCc2cccnc2)c1Cc1ccc(Cl)cc1 ZINC000000638106 569284895 /nfs/dbraw/zinc/28/48/95/569284895.db2.gz VJZFKVHCGJMKLR-UHFFFAOYSA-N 0 0 437.934 5.919 50 30 IKEARN CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OCC)c1OCC ZINC000000655521 569284960 /nfs/dbraw/zinc/28/49/60/569284960.db2.gz ICSJIABNFIJZDY-CQSZACIVSA-N 0 0 428.554 5.193 50 30 IKEARN Cc1sc(NC(=O)c2cccc(I)c2)c(C#N)c1-c1ccccc1 ZINC000000680095 569285012 /nfs/dbraw/zinc/28/50/12/569285012.db2.gz FUPDSMKFZLJHPQ-UHFFFAOYSA-N 0 0 444.297 5.452 50 30 IKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(N(CC)CC)cc1 ZINC000006783354 569287798 /nfs/dbraw/zinc/28/77/98/569287798.db2.gz FVHTXFRNIZYBKQ-UHFFFAOYSA-N 0 0 425.580 6.600 50 30 IKEARN Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N ZINC000008430487 569289678 /nfs/dbraw/zinc/28/96/78/569289678.db2.gz NAMLXOBGISPGOC-BUBBNXEVSA-N 0 0 437.531 5.094 50 30 IKEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc(OCc2ccc(F)cc2)c1 ZINC000008426024 569289703 /nfs/dbraw/zinc/28/97/03/569289703.db2.gz NFFPZWIPSVSAMZ-UHFFFAOYSA-N 0 0 433.446 5.198 50 30 IKEARN COc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)c3c(c2C#N)CCCC3)cc1 ZINC000008385210 569289715 /nfs/dbraw/zinc/28/97/15/569289715.db2.gz FSDVDERWMJINQC-UHFFFAOYSA-N 0 0 432.520 5.622 50 30 IKEARN N#Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2 ZINC000008432274 569289724 /nfs/dbraw/zinc/28/97/24/569289724.db2.gz GRYABEUGUGJAEO-HSZRJFAPSA-N 0 0 432.614 6.751 50 30 IKEARN Cc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc(C)c3)nc3c2CCCC3)cc1 ZINC000008406227 569289726 /nfs/dbraw/zinc/28/97/26/569289726.db2.gz BMTFZXVPJMCUBL-UHFFFAOYSA-N 0 0 427.573 5.847 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 ZINC000008445797 569289752 /nfs/dbraw/zinc/28/97/52/569289752.db2.gz AASJSEIGEBESMM-UHFFFAOYSA-N 0 0 442.971 7.242 50 30 IKEARN CCCCSC[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N ZINC000008442336 569289765 /nfs/dbraw/zinc/28/97/65/569289765.db2.gz YGLCRZTWVACOAJ-JOCHJYFZSA-N 0 0 448.657 6.582 50 30 IKEARN COc1ccc(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)cc1 ZINC000008448441 569289783 /nfs/dbraw/zinc/28/97/83/569289783.db2.gz ROALRBSFPQLWEX-UHFFFAOYSA-N 0 0 448.594 6.394 50 30 IKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@H]1COc2ccccc2O1 ZINC000008443629 569289798 /nfs/dbraw/zinc/28/97/98/569289798.db2.gz PEYVOJFCBCGDDW-OAQYLSRUSA-N 0 0 436.536 6.219 50 30 IKEARN CS[C@@H]1CCCC[C@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008443525 569289808 /nfs/dbraw/zinc/28/98/08/569289808.db2.gz QIDCGABYEHXGCU-RSXGOPAZSA-N 0 0 446.641 6.416 50 30 IKEARN Cc1ccc(-c2c(C#N)c(SCC(=O)OCc3ccccc3)nc3c2CCCC3)cc1 ZINC000008443120 569289812 /nfs/dbraw/zinc/28/98/12/569289812.db2.gz CCRRLMDWDJZBJU-UHFFFAOYSA-N 0 0 428.557 5.643 50 30 IKEARN Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1 ZINC000008441038 569289824 /nfs/dbraw/zinc/28/98/24/569289824.db2.gz MTAMJZBMKMUXKA-UHFFFAOYSA-N 0 0 449.579 6.635 50 30 IKEARN CS[C@H]1CCCC[C@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008443529 569289828 /nfs/dbraw/zinc/28/98/28/569289828.db2.gz QIDCGABYEHXGCU-AHWVRZQESA-N 0 0 446.641 6.416 50 30 IKEARN N#Cc1c(SCCOc2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000008448440 569289830 /nfs/dbraw/zinc/28/98/30/569289830.db2.gz UIXMUOYRVOTHGQ-UHFFFAOYSA-N 0 0 432.545 6.659 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc(SCCC3OCCO3)c(C#N)c(-c3cccs3)c2C1 ZINC000008451235 569289966 /nfs/dbraw/zinc/28/99/66/569289966.db2.gz UYTOXDHIMRELBA-OAHLLOKOSA-N 0 0 428.623 5.688 50 30 IKEARN N#Cc1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCCCC2 ZINC000008455733 569289974 /nfs/dbraw/zinc/28/99/74/569289974.db2.gz RCBYIXNRIYIGFB-UHFFFAOYSA-N 0 0 435.401 7.053 50 30 IKEARN CCOc1nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c2c(-c2ccccc2)c1C#N ZINC000008706706 569290096 /nfs/dbraw/zinc/29/00/96/569290096.db2.gz SNSKKLCBXUODMY-UHFFFAOYSA-N 0 0 444.516 5.077 50 30 IKEARN Cc1ccc([S@@](=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1 ZINC000008781510 569290523 /nfs/dbraw/zinc/29/05/23/569290523.db2.gz FPUBFIBFUHAENF-NDEPHWFRSA-N 0 0 429.328 5.593 50 30 IKEARN CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000008816645 569290797 /nfs/dbraw/zinc/29/07/97/569290797.db2.gz CELJWOBRRCIZCG-UHFFFAOYSA-N 0 0 428.560 5.025 50 30 IKEARN Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000008857099 569291403 /nfs/dbraw/zinc/29/14/03/569291403.db2.gz OCXRYRIXDALDHC-ZGMCHLIBSA-N 0 0 442.317 6.806 50 30 IKEARN N#Cc1c2c(c(-c3cccc(C(F)(F)F)c3)nc1SCc1ccccc1Cl)CCC2 ZINC000008857316 569291460 /nfs/dbraw/zinc/29/14/60/569291460.db2.gz WMKPVPYPIOARMB-UHFFFAOYSA-N 0 0 444.909 7.073 50 30 IKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1c(Cl)cccc1Cl ZINC000008857398 569291566 /nfs/dbraw/zinc/29/15/66/569291566.db2.gz OVVNZNIXFCTBKY-UHFFFAOYSA-N 0 0 425.262 7.097 50 30 IKEARN Cc1c(C(=O)N/C=N/OCc2c(F)cccc2Cl)sc(C#N)c1-c1ccccc1 ZINC000008925817 569292439 /nfs/dbraw/zinc/29/24/39/569292439.db2.gz KQSVANSEYKWLOB-UHFFFAOYSA-N 0 0 427.888 5.278 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)nc1 ZINC000008964942 569292672 /nfs/dbraw/zinc/29/26/72/569292672.db2.gz BZQQVSFEXJEGBF-UHFFFAOYSA-N 0 0 434.468 5.135 50 30 IKEARN N#Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(F)c1 ZINC000009190297 569294063 /nfs/dbraw/zinc/29/40/63/569294063.db2.gz AWXZTHIHOOJRNR-UHFFFAOYSA-N 0 0 426.234 6.065 50 30 IKEARN C[C@@H](Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000009161335 569294090 /nfs/dbraw/zinc/29/40/90/569294090.db2.gz WVUHYZSQFIYXGI-CQSZACIVSA-N 0 0 442.462 6.264 50 30 IKEARN Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)c1 ZINC000002389414 569296248 /nfs/dbraw/zinc/29/62/48/569296248.db2.gz JUVVJOMXASNSLI-WKULSOCRSA-N 0 0 448.530 5.226 50 30 IKEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000009556352 569297302 /nfs/dbraw/zinc/29/73/02/569297302.db2.gz DDCPLBVVDMUMTL-UHFFFAOYSA-N 0 0 445.441 5.817 50 30 IKEARN N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000009556368 569297308 /nfs/dbraw/zinc/29/73/08/569297308.db2.gz KSRLBPUFXXYMOL-UHFFFAOYSA-N 0 0 449.404 5.648 50 30 IKEARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)no2)cc1 ZINC000009597828 569297408 /nfs/dbraw/zinc/29/74/08/569297408.db2.gz HODYNPFGZYSSKD-HNNXBMFYSA-N 0 0 435.549 5.687 50 30 IKEARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)no2)cc1 ZINC000009597827 569297410 /nfs/dbraw/zinc/29/74/10/569297410.db2.gz HODYNPFGZYSSKD-OAHLLOKOSA-N 0 0 435.549 5.687 50 30 IKEARN O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1 ZINC000002392931 569297964 /nfs/dbraw/zinc/29/79/64/569297964.db2.gz OVXVSIRWDWSKLO-JJFYIABZSA-N 0 0 443.257 6.010 50 30 IKEARN CCCCCCCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21 ZINC000002393562 569298130 /nfs/dbraw/zinc/29/81/30/569298130.db2.gz YSIVHXSECDPAID-UHFFFAOYSA-N 0 0 429.568 5.473 50 30 IKEARN O=C1SC[C@H](Cc2ccccc2)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F ZINC000002396083 569298443 /nfs/dbraw/zinc/29/84/43/569298443.db2.gz PYZXFBJYZYNMCU-VIFPVBQESA-N 0 0 435.311 5.502 50 30 IKEARN CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002399558 569298935 /nfs/dbraw/zinc/29/89/35/569298935.db2.gz XYIBSIIAOJFINJ-UHFFFAOYSA-N 0 0 429.499 5.393 50 30 IKEARN CCCCCCCCOc1ccc(/C=N/n2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1 ZINC000002406995 569300248 /nfs/dbraw/zinc/30/02/48/569300248.db2.gz SAHYVMBMRZNBDO-LQKURTRISA-N 0 0 434.515 5.638 50 30 IKEARN CCOC(=O)c1ccc(C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000002410646 569300775 /nfs/dbraw/zinc/30/07/75/569300775.db2.gz NCQDISQJHZPPLB-FPEJUQHSSA-N 0 0 430.529 5.242 50 30 IKEARN Cc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)o1 ZINC000002421115 569301938 /nfs/dbraw/zinc/30/19/38/569301938.db2.gz CJWNMWCWALCZOE-NHDPSOOVSA-N 0 0 439.261 5.228 50 30 IKEARN COc1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc(OC)c1OC ZINC000002424433 569302318 /nfs/dbraw/zinc/30/23/18/569302318.db2.gz QJBLREXFHTZXMP-FBHDLOMBSA-N 0 0 436.435 5.047 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)c1cccs1 ZINC000002428307 569302715 /nfs/dbraw/zinc/30/27/15/569302715.db2.gz BDDOOEWSJSHCBG-YVLHZVERSA-N 0 0 427.275 5.346 50 30 IKEARN COc1ccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C#N)cc3)N2)cc1 ZINC000080324774 569303006 /nfs/dbraw/zinc/30/30/06/569303006.db2.gz DOFKCSOVVDYOFQ-LADGPHEKSA-N 0 0 446.348 5.552 50 30 IKEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1 ZINC000011869593 569303069 /nfs/dbraw/zinc/30/30/69/569303069.db2.gz OWXVZQKTMABCDS-JLAGCLJESA-N 0 0 428.440 5.095 50 30 biogenic IKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000011868148 569303132 /nfs/dbraw/zinc/30/31/32/569303132.db2.gz GNQIEBDZKQFXEW-XYOKQWHBSA-N 0 0 431.702 6.762 50 30 IKEARN COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1OC ZINC000002431557 569303283 /nfs/dbraw/zinc/30/32/83/569303283.db2.gz XZSUCGBZQMNCIV-YVNNLAQVSA-N 0 0 440.854 5.692 50 30 IKEARN COc1ccc(CCNc2oc(COc3ccc(Cl)cc3Cl)nc2C#N)cc1OC ZINC000002439209 569304065 /nfs/dbraw/zinc/30/40/65/569304065.db2.gz NJYYZCMFGGKILB-UHFFFAOYSA-N 0 0 448.306 5.104 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1Cl ZINC000002450589 569304990 /nfs/dbraw/zinc/30/49/90/569304990.db2.gz KUHKWLKEIMHZTL-UHFFFAOYSA-N 0 0 426.973 5.639 50 30 IKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)nc1 ZINC000012958319 569305302 /nfs/dbraw/zinc/30/53/02/569305302.db2.gz QRRFKCDQXFSGKT-UHFFFAOYSA-N 0 0 440.277 6.633 50 30 IKEARN CC[C@H](Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(F)cc1 ZINC000013003446 569306078 /nfs/dbraw/zinc/30/60/78/569306078.db2.gz AGVIQJBWPPPGDB-NRFANRHFSA-N 0 0 448.523 5.163 50 30 IKEARN CC[C@@H](Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(F)cc1 ZINC000013003444 569306110 /nfs/dbraw/zinc/30/61/10/569306110.db2.gz AGVIQJBWPPPGDB-OAQYLSRUSA-N 0 0 448.523 5.163 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)NCCCCCc1nc(-c2cccs2)no1 ZINC000012998551 569306118 /nfs/dbraw/zinc/30/61/18/569306118.db2.gz FFLZUAIUFGDNPY-UHFFFAOYSA-N 0 0 442.544 5.480 50 30 IKEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070004374 569308231 /nfs/dbraw/zinc/30/82/31/569308231.db2.gz SPRPKEWDKVWIRV-QHCPKHFHSA-N 0 0 447.332 5.201 50 30 IKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c1C#N ZINC000013074981 569309227 /nfs/dbraw/zinc/30/92/27/569309227.db2.gz XDMWKYULMMEECC-UHFFFAOYSA-N 0 0 448.573 5.472 50 30 IKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CC[C@@H](c4ccccc4)C3)C2=O)cc1Cl ZINC000014943705 569316272 /nfs/dbraw/zinc/31/62/72/569316272.db2.gz YJUSQGMRFGOKHB-DQQTXVFNSA-N 0 0 429.951 5.563 50 30 IKEARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000328591509 569316979 /nfs/dbraw/zinc/31/69/79/569316979.db2.gz NOJSUQRFZNVUIH-QMHKHESXSA-N 0 0 428.454 6.272 50 30 IKEARN CC(C)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000328592493 569317215 /nfs/dbraw/zinc/31/72/15/569317215.db2.gz YJLIOOYMVZHWAN-GOTSBHOMSA-N 0 0 448.494 5.078 50 30 IKEARN O=C(Nc1ccc2nc(Cl)sc2c1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000328595143 569317701 /nfs/dbraw/zinc/31/77/01/569317701.db2.gz LXOFJJUAVIWQKC-UHFFFAOYSA-N 0 0 442.949 5.560 50 30 IKEARN C[C@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2s1 ZINC000328596275 569317899 /nfs/dbraw/zinc/31/78/99/569317899.db2.gz ACMXXXDIHBGZSY-IAGOWNOFSA-N 0 0 445.629 6.030 50 30 IKEARN CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(C(C)(C)C)cc2)C1=O ZINC000013940128 569321511 /nfs/dbraw/zinc/32/15/11/569321511.db2.gz BLFMUAKOVRKFSK-UYRXBGFRSA-N 0 0 441.980 6.181 50 30 IKEARN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(Cl)cc1C ZINC000019841855 569330208 /nfs/dbraw/zinc/33/02/08/569330208.db2.gz UGSHPRYSNZEWFT-UHFFFAOYSA-N 0 0 431.967 6.239 50 30 IKEARN N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(F)cc3Cl)o1)CCCCCC2 ZINC000019841262 569330239 /nfs/dbraw/zinc/33/02/39/569330239.db2.gz XKWIGLHYMFVUBQ-UHFFFAOYSA-N 0 0 425.891 5.826 50 30 IKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1C ZINC000019841794 569330244 /nfs/dbraw/zinc/33/02/44/569330244.db2.gz WDRGRQMFAHHTEK-UHFFFAOYSA-N 0 0 437.996 6.382 50 30 IKEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(F)cc1Cl ZINC000019841551 569330245 /nfs/dbraw/zinc/33/02/45/569330245.db2.gz RMTPDEIIPQRWGJ-UHFFFAOYSA-N 0 0 441.959 6.213 50 30 IKEARN CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 ZINC000019867686 569330783 /nfs/dbraw/zinc/33/07/83/569330783.db2.gz GLFSTRZNWIAVBZ-UHFFFAOYSA-N 0 0 432.574 5.453 50 30 IKEARN N#Cc1c(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)sc2c1CCCC2 ZINC000019881071 569331539 /nfs/dbraw/zinc/33/15/39/569331539.db2.gz JGVNLFXVTHMFCW-JOCHJYFZSA-N 0 0 449.963 5.203 50 30 IKEARN N#Cc1c(N)nc(SCC(=O)c2ccc3ccccc3c2)c(C#N)c1-c1cccc(F)c1 ZINC000019880124 569331545 /nfs/dbraw/zinc/33/15/45/569331545.db2.gz GJQNOWAGFFCBHU-UHFFFAOYSA-N 0 0 438.487 5.341 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1 ZINC000019880904 569331595 /nfs/dbraw/zinc/33/15/95/569331595.db2.gz HMALZEIAJQUTSL-VULFUBBASA-N 0 0 437.609 6.565 50 30 IKEARN COc1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1 ZINC000019940222 569332163 /nfs/dbraw/zinc/33/21/63/569332163.db2.gz WCZLPIXJBACFDP-UHFFFAOYSA-N 0 0 442.544 5.362 50 30 IKEARN CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc(Cl)cc3)c2C#N)cc1 ZINC000020028787 569332502 /nfs/dbraw/zinc/33/25/02/569332502.db2.gz DCDSYRNFGBUXQH-UHFFFAOYSA-N 0 0 448.935 5.101 50 30 IKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000020072391 569333676 /nfs/dbraw/zinc/33/36/76/569333676.db2.gz BYXZAQQCRJRABN-GSDHBNRESA-N 0 0 449.941 5.933 50 30 IKEARN C/C=C/C=C/C(=O)Nc1cccc(/C=C/C(=O)c2cccc(NC(=O)/C=C/C=C/C)c2)c1 ZINC000020075246 569333798 /nfs/dbraw/zinc/33/37/98/569333798.db2.gz QPTGFYCJPWPMKS-KSUZRXENSA-N 0 0 426.516 5.724 50 30 IKEARN CCOc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 ZINC000020115602 569335007 /nfs/dbraw/zinc/33/50/07/569335007.db2.gz ICAQDXGMJMSGTE-BFNWXZRRSA-N 0 0 438.567 7.098 50 30 IKEARN CCCCCOc1ccc(/C=C2\CCC/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000020115458 569335019 /nfs/dbraw/zinc/33/50/19/569335019.db2.gz FETMZSSJZUELET-SKTAYQSRSA-N 0 0 446.631 8.045 50 30 IKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1 ZINC000020134162 569335533 /nfs/dbraw/zinc/33/55/33/569335533.db2.gz PFWHAJLRLJTNSM-QHCPKHFHSA-N 0 0 430.577 5.518 50 30 IKEARN CCOc1ccc(/C=C2\CS/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC ZINC000020151915 569336509 /nfs/dbraw/zinc/33/65/09/569336509.db2.gz IHNGRUIGEDESGY-QBEGAQPDSA-N 0 0 426.534 5.242 50 30 IKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCCCC1 ZINC000020218944 569356848 /nfs/dbraw/zinc/35/68/48/569356848.db2.gz BCFUPQDSXPMZRW-UHFFFAOYSA-N 0 0 442.777 7.238 50 30 IKEARN COc1cc(-c2cc(NC(=Nc3ccc(C(C)C)cc3)SC)[nH]n2)cc(OC)c1OC ZINC000020440344 569365763 /nfs/dbraw/zinc/36/57/63/569365763.db2.gz OXMZMJJIKWGTQD-UHFFFAOYSA-N 0 0 440.569 5.689 50 30 IKEARN CCCn1c(=O)c(C(=O)/C=C\c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc21 ZINC000096265918 569388012 /nfs/dbraw/zinc/38/80/12/569388012.db2.gz LXGVUNIFUCHRLA-SSZFMOIBSA-N 0 0 427.931 6.628 50 30 IKEARN Cn1c(=O)c(C(=O)/C=C\c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc21 ZINC000096265920 569388204 /nfs/dbraw/zinc/38/82/04/569388204.db2.gz TZAOISQLDLBPLV-QINSGFPZSA-N 0 0 444.328 5.864 50 30 IKEARN N#Cc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2o1 ZINC000096279301 569389303 /nfs/dbraw/zinc/38/93/03/569389303.db2.gz RMBRSEZKNXSMEV-UHFFFAOYSA-N 0 0 445.283 5.441 50 30 IKEARN C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccc(C)cc1 ZINC000096290998 569391008 /nfs/dbraw/zinc/39/10/08/569391008.db2.gz KIEAXFMOBDKERE-UHFFFAOYSA-N 0 0 444.560 5.255 50 30 IKEARN C=CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1cccs1 ZINC000096291125 569391140 /nfs/dbraw/zinc/39/11/40/569391140.db2.gz DCBFUHOQACNERH-UHFFFAOYSA-N 0 0 436.562 5.008 50 30 IKEARN Cn1cc([C@@H](CC(=O)NCc2ccccc2)c2cccc(C#N)c2Cl)c2ccccc21 ZINC000096292485 569391363 /nfs/dbraw/zinc/39/13/63/569391363.db2.gz FBDLXDQCWQUDOW-QFIPXVFZSA-N 0 0 427.935 5.542 50 30 IKEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000096346566 569397193 /nfs/dbraw/zinc/39/71/93/569397193.db2.gz MVJQJXABALXQCO-OALUTQOASA-N 0 0 426.545 5.811 50 30 IKEARN COc1ccc(CN=Nc2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000096346758 569397195 /nfs/dbraw/zinc/39/71/95/569397195.db2.gz WTOBUACFJMTSPD-QQXSKIMKSA-N 0 0 442.544 5.825 50 30 IKEARN CCCCCNc1c(C#N)nc(Cc2ccccc2)c2c1CN(NCc1ccccc1)CC2 ZINC000096562369 569401157 /nfs/dbraw/zinc/40/11/57/569401157.db2.gz HSYGUTADXPIRIZ-UHFFFAOYSA-N 0 0 439.607 5.209 50 30 IKEARN C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000096580176 569401588 /nfs/dbraw/zinc/40/15/88/569401588.db2.gz NDUOGBOOMWANQY-UHFFFAOYSA-N 0 0 431.355 5.039 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000096592687 569401983 /nfs/dbraw/zinc/40/19/83/569401983.db2.gz APCLDDMGYLAZJK-SONWIMMPSA-N 0 0 437.524 5.167 50 30 IKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1 ZINC000096592688 569402006 /nfs/dbraw/zinc/40/20/06/569402006.db2.gz APCLDDMGYLAZJK-GIFXNVAJSA-N 0 0 437.524 5.167 50 30 IKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 ZINC000096592694 569402011 /nfs/dbraw/zinc/40/20/11/569402011.db2.gz WNSQAHIRDVOQCU-UCQKPKSFSA-N 0 0 425.513 5.337 50 30 IKEARN CC(C)(C)c1ccc(C(=O)N=C2c3ccccc3CN2c2cc(Cl)cc(Cl)c2)cc1 ZINC000254568779 569402916 /nfs/dbraw/zinc/40/29/16/569402916.db2.gz IWBZSSOVTIUCHP-UHFFFAOYSA-N 0 0 437.370 6.898 50 30 IKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000225597572 569405281 /nfs/dbraw/zinc/40/52/81/569405281.db2.gz DXRJBJUDWMWZPC-DTWQFKEOSA-N 0 0 436.596 5.185 50 30 IKEARN C=CCSc1nnc(N2C(=O)C[C@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1 ZINC000002504203 569406198 /nfs/dbraw/zinc/40/61/98/569406198.db2.gz XNSMVGXIAJTCIL-CQSZACIVSA-N 0 0 443.569 5.119 50 30 IKEARN CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000028052424 569406827 /nfs/dbraw/zinc/40/68/27/569406827.db2.gz YMVQRNONNZPEBD-XDHUDOTRSA-N 0 0 430.504 5.349 50 30 IKEARN CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000028052174 569406845 /nfs/dbraw/zinc/40/68/45/569406845.db2.gz PQEBVYHGFABDDH-WAIKUNEKSA-N 0 0 434.923 5.993 50 30 IKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1OC ZINC000028052523 569406853 /nfs/dbraw/zinc/40/68/53/569406853.db2.gz TWCIAMNXLKVWJP-UUOWRZLLSA-N 0 0 430.504 5.267 50 30 IKEARN Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051616 569406855 /nfs/dbraw/zinc/40/68/55/569406855.db2.gz ACQYNELHLXNPJA-KKSFZXQISA-N 0 0 435.321 5.704 50 30 IKEARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000028052310 569406859 /nfs/dbraw/zinc/40/68/59/569406859.db2.gz DMOJYYSNYXAHLQ-HTAPYJJXSA-N 0 0 448.906 5.381 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(F)cc4)ccc3C1=O)cn2C ZINC000028182467 569408692 /nfs/dbraw/zinc/40/86/92/569408692.db2.gz PUTWBNPATFHEOE-GATIEOLUSA-N 0 0 429.447 5.521 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C1=O)cn2C ZINC000028182464 569408735 /nfs/dbraw/zinc/40/87/35/569408735.db2.gz IEEHTOCTIXMTFH-ROTLSHHCSA-N 0 0 443.474 5.830 50 30 IKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4)c3C)C1=O)cn2C ZINC000028182516 569408752 /nfs/dbraw/zinc/40/87/52/569408752.db2.gz DLHKJDIVTWAODG-MXAYSNPKSA-N 0 0 425.484 5.691 50 30 IKEARN Cc1cc(Oc2cc(C#N)c(C#N)cc2Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl ZINC000002590135 569410000 /nfs/dbraw/zinc/41/00/00/569410000.db2.gz SMXQLAHBWOUGCB-UHFFFAOYSA-N 0 0 437.326 7.555 50 30 IKEARN CCC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc43)c(C#N)cc2C1 ZINC000215673469 569411243 /nfs/dbraw/zinc/41/12/43/569411243.db2.gz IPAFZAPWNDPTMC-IBGZPJMESA-N 0 0 444.604 5.773 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(Nc4ccccc4)s3)sc2C1 ZINC000002626941 569411809 /nfs/dbraw/zinc/41/18/09/569411809.db2.gz OXDHHQYCDWXIAB-LBPRGKRZSA-N 0 0 441.607 5.070 50 30 IKEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002633831 569412705 /nfs/dbraw/zinc/41/27/05/569412705.db2.gz ZMICPOIWOBFVNC-UHFFFAOYSA-N 0 0 438.401 5.756 50 30 IKEARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1/N=C/c1cccnc1Cl ZINC000215719610 569413532 /nfs/dbraw/zinc/41/35/32/569413532.db2.gz PGTXYAHKAXNBKU-WEPAEKJRSA-N 0 0 444.387 6.567 50 30 IKEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000215734153 569414636 /nfs/dbraw/zinc/41/46/36/569414636.db2.gz UCHLUDKLLRLIAY-UHFFFAOYSA-N 0 0 443.450 5.558 50 30 IKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000002653540 569415144 /nfs/dbraw/zinc/41/51/44/569415144.db2.gz NGCMESVYUHZREV-UHFFFAOYSA-N 0 0 448.910 5.692 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 ZINC000002663215 569416288 /nfs/dbraw/zinc/41/62/88/569416288.db2.gz FNGZKECVTJAOCU-INIZCTEOSA-N 0 0 446.528 5.332 50 30 IKEARN O=C1[C@H](Cc2cc(Cl)ccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002671085 569416604 /nfs/dbraw/zinc/41/66/04/569416604.db2.gz ZJLGJHFZDDYDPB-RCBZZLCRSA-N 0 0 427.356 6.372 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000002740258 569419198 /nfs/dbraw/zinc/41/91/98/569419198.db2.gz PRFSQXPENOLKOG-GFCCVEGCSA-N 0 0 429.010 6.891 50 30 IKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000002742230 569419822 /nfs/dbraw/zinc/41/98/22/569419822.db2.gz KMVQYZAWHWLFOY-UZUQRXQVSA-N 0 0 432.614 6.607 50 30 IKEARN N#Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2 ZINC000002746033 569419866 /nfs/dbraw/zinc/41/98/66/569419866.db2.gz GRYABEUGUGJAEO-QHCPKHFHSA-N 0 0 432.614 6.751 50 30 IKEARN CCN(CC)C(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)c(C#N)c1C ZINC000002747340 569419933 /nfs/dbraw/zinc/41/99/33/569419933.db2.gz IZHIRMHHCVGVKB-UHFFFAOYSA-N 0 0 431.970 5.531 50 30 IKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(Cl)cccc3Cl)sc2C1 ZINC000002750880 569420129 /nfs/dbraw/zinc/42/01/29/569420129.db2.gz AEFNJFRNTLIMGK-WTNCMQEWSA-N 0 0 433.404 6.729 50 30 IKEARN CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)sc2c1 ZINC000002755310 569420228 /nfs/dbraw/zinc/42/02/28/569420228.db2.gz JRIYDMKRUOBKEW-UHFFFAOYSA-N 0 0 429.592 5.238 50 30 IKEARN CCc1c(C)sc(NC(=O)c2c(C)n(-c3ccccc3)nc2-c2ccccc2)c1C#N ZINC000002754610 569420416 /nfs/dbraw/zinc/42/04/16/569420416.db2.gz XMJBDOAFHDETNP-UHFFFAOYSA-N 0 0 426.545 5.904 50 30 IKEARN Cc1c(C#N)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc1C(=O)N(C)C ZINC000002772641 569420729 /nfs/dbraw/zinc/42/07/29/569420729.db2.gz MFCAKOYNESSODM-UHFFFAOYSA-N 0 0 438.361 5.404 50 30 IKEARN COc1ccc(C=Nn2cn[nH]c2=S)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000002790082 569421382 /nfs/dbraw/zinc/42/13/82/569421382.db2.gz CKOHUIPDZOROKC-QPJQQBGISA-N 0 0 443.743 5.371 50 30 IKEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000002790103 569421428 /nfs/dbraw/zinc/42/14/28/569421428.db2.gz SVDISBPHDAEEKQ-QPSGOUHRSA-N 0 0 433.267 5.299 50 30 IKEARN C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002790828 569421532 /nfs/dbraw/zinc/42/15/32/569421532.db2.gz ZXFJQVARNFMMEO-QWHCGFSZSA-N 0 0 449.418 5.005 50 30 IKEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000002790329 569421827 /nfs/dbraw/zinc/42/18/27/569421827.db2.gz BYQRYXRKCRPQFJ-QPSGOUHRSA-N 0 0 433.267 5.299 50 30 IKEARN CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000002801645 569422295 /nfs/dbraw/zinc/42/22/95/569422295.db2.gz HELZYYZRTNHBFB-JTQLQIEISA-N 0 0 436.027 5.247 50 30 IKEARN CCCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)c1ccccc1)C(F)(F)F ZINC000670420943 569422965 /nfs/dbraw/zinc/42/29/65/569422965.db2.gz DBUAPPJYRIGNCY-NEPJUHHUSA-N 0 0 430.238 5.362 50 30 IKEARN CC(C)OC(=O)c1ccc(COC(=O)c2ccc(Oc3cccc(C#N)c3C#N)cc2)cc1 ZINC000002844988 569423234 /nfs/dbraw/zinc/42/32/34/569423234.db2.gz KXWMFKFDRLQCGX-UHFFFAOYSA-N 0 0 440.455 5.144 50 30 IKEARN COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(F)c1F ZINC000002879932 569423978 /nfs/dbraw/zinc/42/39/78/569423978.db2.gz LLOYOXZLGXCDFB-SECBINFHSA-N 0 0 440.462 5.588 50 30 IKEARN Cc1cc(C)c(C#N)c(SCCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1 ZINC000002889158 569424036 /nfs/dbraw/zinc/42/40/36/569424036.db2.gz ZOCHWCCVEXWTKD-UHFFFAOYSA-N 0 0 444.585 5.968 50 30 IKEARN N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(F)c1 ZINC000002884718 569424057 /nfs/dbraw/zinc/42/40/57/569424057.db2.gz SFGBQUPPCWFPCN-UHFFFAOYSA-N 0 0 428.250 5.509 50 30 IKEARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C#N)cc1F ZINC000002884804 569424090 /nfs/dbraw/zinc/42/40/90/569424090.db2.gz MDGHAUNMDYNASG-UHFFFAOYSA-N 0 0 429.451 5.890 50 30 IKEARN CCCCCCCCOc1ccc(/C=C2/N=C(/C=C/c3ccc(Cl)cc3)OC2=O)cc1 ZINC000002942436 569426756 /nfs/dbraw/zinc/42/67/56/569426756.db2.gz NJLKJPDFTKJZSY-IXTZJETLSA-N 0 0 437.967 7.089 50 30 IKEARN CCOCCCn1c(SCc2ccccc2C#N)nc2c3ccccc3sc2c1=O ZINC000002961983 569432718 /nfs/dbraw/zinc/43/27/18/569432718.db2.gz BJXQKTVNHXPKLM-UHFFFAOYSA-N 0 0 435.574 5.202 50 30 IKEARN N#Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1C1CCCCC1 ZINC000002962100 569432788 /nfs/dbraw/zinc/43/27/88/569432788.db2.gz AOONJPJYDWQTTE-UHFFFAOYSA-N 0 0 431.586 6.280 50 30 IKEARN CCc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2cccc(C)c2)C1=O ZINC000003041392 569438411 /nfs/dbraw/zinc/43/84/11/569438411.db2.gz ZNCQIBOGSUSJIL-COOPMVRXSA-N 0 0 442.588 5.103 50 30 IKEARN N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003041120 569438428 /nfs/dbraw/zinc/43/84/28/569438428.db2.gz BQTAVBOROCKGTL-UHFFFAOYSA-N 0 0 434.351 7.140 50 30 IKEARN Cc1cc(C)cc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)c1 ZINC000003041828 569438446 /nfs/dbraw/zinc/43/84/46/569438446.db2.gz WLJDNUAIFGXWIK-QYQHSDTDSA-N 0 0 448.979 5.194 50 30 IKEARN Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3cc(C)cc(C)c3)C2=O)c1 ZINC000003041753 569438463 /nfs/dbraw/zinc/43/84/63/569438463.db2.gz FQNXLYQSQAUYDJ-COOPMVRXSA-N 0 0 442.588 5.158 50 30 IKEARN CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000003041790 569438469 /nfs/dbraw/zinc/43/84/69/569438469.db2.gz GIXIONXSJOTLPB-COOPMVRXSA-N 0 0 442.588 5.103 50 30 IKEARN O=C1C[C@H](c2ccccc2)CC(Sc2ccccc2)=C1CS(=O)(=O)c1ccccc1 ZINC000003048690 569438904 /nfs/dbraw/zinc/43/89/04/569438904.db2.gz LATLKJNZKMSGOO-FQEVSTJZSA-N 0 0 434.582 5.653 50 30 IKEARN C=CCN1c2cc(C(=O)NCCc3ccc(C)cc3)ccc2Sc2ccccc2C1=O ZINC000003050276 569438968 /nfs/dbraw/zinc/43/89/68/569438968.db2.gz ITEUWBXKLJHMKH-UHFFFAOYSA-N 0 0 428.557 5.265 50 30 IKEARN N#Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Sc1cccc(C(F)(F)F)c1 ZINC000003104541 569440251 /nfs/dbraw/zinc/44/02/51/569440251.db2.gz RHEOIIJZQZNZCB-UHFFFAOYSA-N 0 0 432.854 6.634 50 30 IKEARN COc1cc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1 ZINC000254772125 569440295 /nfs/dbraw/zinc/44/02/95/569440295.db2.gz SOBZMVGVFNGCRI-UHFFFAOYSA-N 0 0 443.591 5.043 50 30 IKEARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc(Sc2ccc(Cl)cc2)c1C#N ZINC000003119781 569440403 /nfs/dbraw/zinc/44/04/03/569440403.db2.gz ZISZNVWSVBZXTN-UHFFFAOYSA-N 0 0 429.328 6.255 50 30 IKEARN CC(C)(C)c1cc(/C=N/N/C(=N/c2ccccc2)c2ccccn2)cc(C(C)(C)C)c1O ZINC000003114222 569440453 /nfs/dbraw/zinc/44/04/53/569440453.db2.gz MCQMZBZOQRAQSD-RDRPBHBLSA-N 0 0 428.580 6.084 50 30 IKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)sc2C1 ZINC000003187544 569441401 /nfs/dbraw/zinc/44/14/01/569441401.db2.gz IHTOWHBDBBZZOW-HNNXBMFYSA-N 0 0 436.964 6.229 50 30 IKEARN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O ZINC000003190935 569441507 /nfs/dbraw/zinc/44/15/07/569441507.db2.gz RLCAZDUOSIPMPK-BHGWPJFGSA-N 0 0 441.256 5.861 50 30 IKEARN CCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000003199727 569441619 /nfs/dbraw/zinc/44/16/19/569441619.db2.gz TZQBADPCDPPUGH-UHFFFAOYSA-N 0 0 432.483 6.571 50 30 IKEARN O=C(c1cc(Br)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc2ccccc2o1 ZINC000003219113 569441922 /nfs/dbraw/zinc/44/19/22/569441922.db2.gz QHMHFCVYDZWXGM-DNQXCXABSA-N 0 0 449.300 6.097 50 30 biogenic IKEARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000003250396 569442935 /nfs/dbraw/zinc/44/29/35/569442935.db2.gz OHTHBAXIZZKYRX-KRWDZBQOSA-N 0 0 430.529 5.456 50 30 IKEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C(C)C)cc1 ZINC000003259319 569443193 /nfs/dbraw/zinc/44/31/93/569443193.db2.gz HAXMEVVLRSIKNM-UHFFFAOYSA-N 0 0 440.572 6.230 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1C1CCCCC1 ZINC000003263180 569443321 /nfs/dbraw/zinc/44/33/21/569443321.db2.gz KFWALPZKNMNMCH-UHFFFAOYSA-N 0 0 438.569 5.557 50 30 IKEARN C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1C1CCCCC1 ZINC000003279390 569443775 /nfs/dbraw/zinc/44/37/75/569443775.db2.gz WKVPKIWNJJJROC-UHFFFAOYSA-N 0 0 448.592 6.035 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003282255 569443891 /nfs/dbraw/zinc/44/38/91/569443891.db2.gz BOTMURYODPOOEH-UHFFFAOYSA-N 0 0 431.565 5.031 50 30 IKEARN N#Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)oc(-c2ccco2)c1-c1ccco1 ZINC000003310278 569445381 /nfs/dbraw/zinc/44/53/81/569445381.db2.gz CNLBCNQINPDRIQ-UHFFFAOYSA-N 0 0 448.478 6.832 50 30 IKEARN N#Cc1c2c(sc1NC(=O)CSc1ncnc3scc(-c4ccccc4)c31)CCC2 ZINC000003348473 569447252 /nfs/dbraw/zinc/44/72/52/569447252.db2.gz UPJRENRPQFXIPP-UHFFFAOYSA-N 0 0 448.598 5.511 50 30 IKEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000003350952 569447386 /nfs/dbraw/zinc/44/73/86/569447386.db2.gz WYOZWHREAIRTFR-UHFFFAOYSA-N 0 0 440.495 5.345 50 30 IKEARN N#C[C@@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003366226 569448131 /nfs/dbraw/zinc/44/81/31/569448131.db2.gz KRVHDTCPMVGTAD-NFBKMPQASA-N 0 0 440.528 5.007 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000003397557 569449498 /nfs/dbraw/zinc/44/94/98/569449498.db2.gz KHVSMKNIPUPFTH-UHFFFAOYSA-N 0 0 428.542 5.621 50 30 IKEARN C=CCn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@@H]1COc2ccccc2O1 ZINC000003415011 569450224 /nfs/dbraw/zinc/45/02/24/569450224.db2.gz GGYXKZAFQSCDDZ-FQEVSTJZSA-N 0 0 448.573 5.392 50 30 IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1 ZINC000217800283 569453398 /nfs/dbraw/zinc/45/33/98/569453398.db2.gz REPYETNVMPJALL-XYUXXQEKSA-N 0 0 440.495 5.876 50 30 biogenic IKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1 ZINC000217824201 569453804 /nfs/dbraw/zinc/45/38/04/569453804.db2.gz CZGGGGKWSISETH-HQOKVJKCSA-N 0 0 434.394 5.031 50 30 biogenic IKEARN CC(C)c1ccc(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)cc1 ZINC000003587568 569454517 /nfs/dbraw/zinc/45/45/17/569454517.db2.gz JFBIQEXPISDTPS-DHRITJCHSA-N 0 0 428.964 5.773 50 30 IKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2Br)sc2c1CCCCCC2 ZINC000003617531 569454961 /nfs/dbraw/zinc/45/49/61/569454961.db2.gz LHZGWKAEIUEQOZ-UHFFFAOYSA-N 0 0 448.411 5.168 50 30 IKEARN Cc1c(C#N)c(NC(=O)c2cc(Br)ccc2Cl)sc1C(=O)OC(C)C ZINC000003613464 569454971 /nfs/dbraw/zinc/45/49/71/569454971.db2.gz OKULUOBXHDJGKI-UHFFFAOYSA-N 0 0 441.734 5.162 50 30 IKEARN CCC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC ZINC000003633804 569455435 /nfs/dbraw/zinc/45/54/35/569455435.db2.gz CYZNXHPBTVKKAQ-MHZLTWQESA-N 0 0 427.500 5.837 50 30 IKEARN CCCCN(CCOC(C)=O)c1ccc(/N=N/c2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1 ZINC000031476973 569456494 /nfs/dbraw/zinc/45/64/94/569456494.db2.gz ARSKJXYLLONUAJ-CYYJNZCTSA-N 0 0 448.483 5.232 50 30 IKEARN N#Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc1 ZINC000058614892 569456518 /nfs/dbraw/zinc/45/65/18/569456518.db2.gz XSTCAASOUYBHHC-UHFFFAOYSA-N 0 0 425.304 5.054 50 30 IKEARN Brc1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000003961011 569457230 /nfs/dbraw/zinc/45/72/30/569457230.db2.gz KGCMVMOWRIKSQC-BUVRLJJBSA-N 0 0 434.362 6.686 50 30 IKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1C ZINC000004065387 569458560 /nfs/dbraw/zinc/45/85/60/569458560.db2.gz HNEYUFJSHOMZMI-SLJQUXCSSA-N 0 0 449.645 6.610 50 30 IKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000004074961 569458628 /nfs/dbraw/zinc/45/86/28/569458628.db2.gz NSTOXWAGNZTKNY-SIBVEZHUSA-N 0 0 427.479 5.141 50 30 IKEARN Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)c1 ZINC000004109141 569459117 /nfs/dbraw/zinc/45/91/17/569459117.db2.gz KEUSPPSJYVNLFB-QDJRPKQISA-N 0 0 445.569 5.879 50 30 IKEARN Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(O)cc1 ZINC000004109139 569459137 /nfs/dbraw/zinc/45/91/37/569459137.db2.gz RVSPVHVYWIMLIF-QDJRPKQISA-N 0 0 445.569 5.879 50 30 IKEARN O=C(/C=C/c1cccs1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000004118394 569459559 /nfs/dbraw/zinc/45/95/59/569459559.db2.gz ARKMGMHJSPBTRC-CSKARUKUSA-N 0 0 439.341 5.719 50 30 IKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCC#N ZINC000004118884 569459649 /nfs/dbraw/zinc/45/96/49/569459649.db2.gz VRTXUZWVUALUEM-LSDFYIEESA-N 0 0 441.512 5.406 50 30 IKEARN COc1cc(CN=NC(=S)Nc2ccccc2)ccc1OCc1c(F)cccc1Cl ZINC000004136403 569460330 /nfs/dbraw/zinc/46/03/30/569460330.db2.gz GSRBEGZEXITSBO-DHRITJCHSA-N 0 0 443.931 5.799 50 30 IKEARN COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1OC ZINC000004186587 569460826 /nfs/dbraw/zinc/46/08/26/569460826.db2.gz UYEBIFMILBISNS-UHFFFAOYSA-N 0 0 428.517 5.115 50 30 IKEARN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1C#N ZINC000004195832 569460863 /nfs/dbraw/zinc/46/08/63/569460863.db2.gz DYPXCFODRQPUQN-CVKSISIWSA-N 0 0 428.517 5.592 50 30 IKEARN C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[NH+]1CCC(C)CC1 ZINC000004311475 569461969 /nfs/dbraw/zinc/46/19/69/569461969.db2.gz ZGHHYFNDDMTZKI-FRRISVFZSA-N 0 0 441.656 6.396 50 30 IKEARN CCc1cccc(NC(=NC(=O)c2cccc(OC)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437596 569462122 /nfs/dbraw/zinc/46/21/22/569462122.db2.gz DUAFRXSRZRKPAX-UHFFFAOYSA-N 0 0 440.547 5.180 50 30 biogenic IKEARN C=CCN(C(=O)CSc1nc2ccccc2o1)c1nc(-c2c[nH]c3ccccc32)cs1 ZINC000066409972 569462124 /nfs/dbraw/zinc/46/21/24/569462124.db2.gz YVZVHCBEMATGRA-UHFFFAOYSA-N 0 0 446.557 5.744 50 30 IKEARN Cc1cccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1 ZINC000066437610 569462132 /nfs/dbraw/zinc/46/21/32/569462132.db2.gz QQWAXRKSKJCLCC-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000066437742 569462168 /nfs/dbraw/zinc/46/21/68/569462168.db2.gz RKFWFGOHOHODIU-UHFFFAOYSA-N 0 0 446.938 5.271 50 30 IKEARN CCOc1ccccc1NC(=NC(=O)c1cccc(F)c1)NCCc1c[nH]c2ccccc12 ZINC000066437725 569462180 /nfs/dbraw/zinc/46/21/80/569462180.db2.gz IELQDJZEYWYVNV-UHFFFAOYSA-N 0 0 444.510 5.146 50 30 IKEARN Cc1ccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)cc1 ZINC000066437753 569462187 /nfs/dbraw/zinc/46/21/87/569462187.db2.gz GZXGUULVOVHCFL-UHFFFAOYSA-N 0 0 430.939 5.570 50 30 IKEARN CCOc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCCc1c[nH]c2ccccc12 ZINC000066437721 569462189 /nfs/dbraw/zinc/46/21/89/569462189.db2.gz CNWWCSYCYFTKRO-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 ZINC000066437718 569462211 /nfs/dbraw/zinc/46/22/11/569462211.db2.gz NMRFNBWCDQBMEC-UHFFFAOYSA-N 0 0 440.547 5.316 50 30 IKEARN CCCCCCCCCCCCS[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000008383736 569462653 /nfs/dbraw/zinc/46/26/53/569462653.db2.gz NJFWYAAGQUJNNQ-FQEVSTJZSA-N 0 0 444.468 7.279 50 30 IKEARN O=C(/C=C/c1ccccc1)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000008385413 569462699 /nfs/dbraw/zinc/46/26/99/569462699.db2.gz CZUHWWTWBZXVCQ-RGVLZGJSSA-N 0 0 428.491 6.967 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)NCCSc1ccccc1C ZINC000008398702 569463269 /nfs/dbraw/zinc/46/32/69/569463269.db2.gz NQACUUZDHUBUAE-UHFFFAOYSA-N 0 0 433.746 8.465 50 30 biogenic IKEARN C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000008396221 569463275 /nfs/dbraw/zinc/46/32/75/569463275.db2.gz JSSQYXQFNYPZFV-UHFFFAOYSA-N 0 0 432.347 5.601 50 30 IKEARN N#Cc1c(SCc2ccccc2F)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000008406093 569464009 /nfs/dbraw/zinc/46/40/09/569464009.db2.gz SGZUSRAQVXJDLU-UHFFFAOYSA-N 0 0 436.964 7.434 50 30 IKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000008441107 569464494 /nfs/dbraw/zinc/46/44/94/569464494.db2.gz ZJUVHRAXJNKCJF-UHFFFAOYSA-N 0 0 449.579 6.635 50 30 IKEARN CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc2ccccc12 ZINC000008717913 569471161 /nfs/dbraw/zinc/47/11/61/569471161.db2.gz XYKKRIJBBGADLH-VULFUBBASA-N 0 0 438.959 6.351 50 30 IKEARN CCOc1ccc2c(c1)C(=NNc1ccccc1Br)c1cc(OCC)ccc1-2 ZINC000008721883 569471767 /nfs/dbraw/zinc/47/17/67/569471767.db2.gz MFJLSQUEXOJLBF-UHFFFAOYSA-N 0 0 437.337 6.091 50 30 IKEARN C=CCNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 ZINC000008733605 569472524 /nfs/dbraw/zinc/47/25/24/569472524.db2.gz WLCRFCDVZCNTAE-UHFFFAOYSA-N 0 0 431.989 6.452 50 30 IKEARN COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000008761958 569474266 /nfs/dbraw/zinc/47/42/66/569474266.db2.gz LHZZMHLXKOFUGQ-QYQIQJBXSA-N 0 0 448.559 5.477 50 30 biogenic IKEARN Oc1ccc(/C=N/Cc2cccc(C(F)(F)F)c2)c(O)c1Cc1c(F)cccc1Cl ZINC000008762046 569474279 /nfs/dbraw/zinc/47/42/79/569474279.db2.gz XAZGXXRVQBIAOM-KVSWJAHQSA-N 0 0 437.820 6.119 50 30 IKEARN C=CCNc1nc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1C#N ZINC000008762237 569474309 /nfs/dbraw/zinc/47/43/09/569474309.db2.gz LMKDFHKWGHLRED-UHFFFAOYSA-N 0 0 426.467 5.924 50 30 IKEARN Cc1nc(C/C=N/OCc2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccc(Cl)cc2)c1C#N ZINC000008763267 569474406 /nfs/dbraw/zinc/47/44/06/569474406.db2.gz AMAFMYFHPRTUGT-LUOAPIJWSA-N 0 0 445.866 5.107 50 30 IKEARN COc1cccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c1OC ZINC000008771501 569475209 /nfs/dbraw/zinc/47/52/09/569475209.db2.gz OIGYMLUMOQCISE-NTCAYCPXSA-N 0 0 443.930 6.777 50 30 IKEARN Cc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1 ZINC000008782141 569475737 /nfs/dbraw/zinc/47/57/37/569475737.db2.gz WHSXIYYTOJLSJB-VULFUBBASA-N 0 0 435.980 6.454 50 30 IKEARN Fc1ccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1 ZINC000008782142 569475763 /nfs/dbraw/zinc/47/57/63/569475763.db2.gz AMPIJGOXLGTWHU-LGJNPRDNSA-N 0 0 439.943 6.285 50 30 IKEARN C=CCNC(=S)N=NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000008798159 569476401 /nfs/dbraw/zinc/47/64/01/569476401.db2.gz BAIFHFONQQJBDB-MSXFZWOLSA-N 0 0 438.380 5.366 50 30 IKEARN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000008809747 569476552 /nfs/dbraw/zinc/47/65/52/569476552.db2.gz KSBOFSXCICFQQR-AYQSFACRSA-N 0 0 427.504 7.014 50 30 IKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2 ZINC000008809787 569476597 /nfs/dbraw/zinc/47/65/97/569476597.db2.gz JAHNEERZSBIKFN-MCIQNMBGSA-N 0 0 433.382 7.879 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)o1 ZINC000008817538 569476926 /nfs/dbraw/zinc/47/69/26/569476926.db2.gz HBQGFLGBTVZPQP-OAQYLSRUSA-N 0 0 444.512 5.597 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008818144 569476965 /nfs/dbraw/zinc/47/69/65/569476965.db2.gz VHZOHYRWKVKIDZ-UPIFZZQJSA-N 0 0 445.902 5.531 50 30 IKEARN CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(-c2cccs2)n1 ZINC000008825878 569477517 /nfs/dbraw/zinc/47/75/17/569477517.db2.gz KGDOUGDCCRODFH-UHFFFAOYSA-N 0 0 449.351 5.053 50 30 IKEARN Cc1cccc(C)c1OP(=O)(NN=C1c2ccccc2NC1=O)Oc1c(C)cccc1C ZINC000008826590 569477545 /nfs/dbraw/zinc/47/75/45/569477545.db2.gz VHIOQTYZGOWZMZ-UHFFFAOYSA-N 0 0 449.447 5.432 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)sc1C ZINC000008836249 569478026 /nfs/dbraw/zinc/47/80/26/569478026.db2.gz SKDSIEVORVZBEE-LJQANCHMSA-N 0 0 438.936 5.505 50 30 IKEARN COc1cc(OC)c(OC)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000008844010 569478546 /nfs/dbraw/zinc/47/85/46/569478546.db2.gz XASHDOUKEFRSOZ-AFPJDJCSSA-N 0 0 438.336 5.589 50 30 IKEARN N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCc2ccccc2C1 ZINC000008844520 569478575 /nfs/dbraw/zinc/47/85/75/569478575.db2.gz IZNFJDJRSMUONW-UHFFFAOYSA-N 0 0 431.879 5.601 50 30 IKEARN CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 ZINC000008845925 569478903 /nfs/dbraw/zinc/47/89/03/569478903.db2.gz WRXVQXAIOSWQKY-UHFFFAOYSA-N 0 0 435.867 6.181 50 30 IKEARN COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(/N=C/c3ccc(C)cc3)c21 ZINC000008846647 569479167 /nfs/dbraw/zinc/47/91/67/569479167.db2.gz SEJPPBXUHMDEBF-DHRITJCHSA-N 0 0 431.517 6.385 50 30 IKEARN COc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000008854071 569479593 /nfs/dbraw/zinc/47/95/93/569479593.db2.gz DEZICCZLCIZYLH-UHFFFAOYSA-N 0 0 436.536 6.271 50 30 IKEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000008854740 569479615 /nfs/dbraw/zinc/47/96/15/569479615.db2.gz FNOYHEBTRUGYFK-HSZRJFAPSA-N 0 0 437.536 5.171 50 30 IKEARN Clc1ccc(CO/N=C/c2c(SCc3ccccc3)nc3sccn23)c(Cl)c1 ZINC000008855381 569479650 /nfs/dbraw/zinc/47/96/50/569479650.db2.gz XCIIFZMZOXFJEN-FOKLQQMPSA-N 0 0 448.400 6.546 50 30 IKEARN COc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)N/C=N/OCc1ccc(Cl)cc1 ZINC000008855353 569479700 /nfs/dbraw/zinc/47/97/00/569479700.db2.gz RGMDWTYXYYNUNN-UHFFFAOYSA-N 0 0 446.290 5.079 50 30 IKEARN Cc1ccc(CN=Nc2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)s2)cc1 ZINC000008867497 569480267 /nfs/dbraw/zinc/48/02/67/569480267.db2.gz FLBQMXJNQVLAEA-CVKSISIWSA-N 0 0 430.508 5.956 50 30 IKEARN C=CCc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(CC=C)C2=O)c1 ZINC000008872399 569480931 /nfs/dbraw/zinc/48/09/31/569480931.db2.gz LBUXNANMINAWKD-XLNRJJMWSA-N 0 0 437.586 5.260 50 30 IKEARN CC(C)(C)c1ccc(OCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008874756 569480974 /nfs/dbraw/zinc/48/09/74/569480974.db2.gz OQNKORADTQLUFK-NLRVBDNBSA-N 0 0 433.508 5.796 50 30 IKEARN Cc1ccccc1Nc1nc(N=NCc2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008872721 569480998 /nfs/dbraw/zinc/48/09/98/569480998.db2.gz JFVONQYVEFVXLQ-BUVRLJJBSA-N 0 0 440.467 5.021 50 30 IKEARN CNc1nc(N=NCc2cccc3ccccc32)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000008872943 569481001 /nfs/dbraw/zinc/48/10/01/569481001.db2.gz QYLLDAJXAXGQDC-UVHMKAGCSA-N 0 0 437.429 5.275 50 30 IKEARN CC[C@H](C)c1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000008874987 569481049 /nfs/dbraw/zinc/48/10/49/569481049.db2.gz ALPLUMUZFQUUBP-RUTRRBQKSA-N 0 0 447.535 6.402 50 30 IKEARN CC[C@@H](C)c1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000008874983 569481056 /nfs/dbraw/zinc/48/10/56/569481056.db2.gz ALPLUMUZFQUUBP-PZLSILOWSA-N 0 0 447.535 6.402 50 30 IKEARN COc1cccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)c1 ZINC000008876254 569481101 /nfs/dbraw/zinc/48/11/01/569481101.db2.gz KKBDZNJFNMHIIW-HXUWFJFHSA-N 0 0 429.516 5.064 50 30 biogenic IKEARN Cc1nnc(N=C(Nc2ccccc2)N2N=C(C)S[C@@H]2c2cccc3ccccc32)s1 ZINC000039365167 569481520 /nfs/dbraw/zinc/48/15/20/569481520.db2.gz XFVDJYLPGSKDJT-OAQYLSRUSA-N 0 0 444.589 6.180 50 30 IKEARN CSC(=S)[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000039931749 569482030 /nfs/dbraw/zinc/48/20/30/569482030.db2.gz GKAFHCYOKRXHOS-XMMPIXPASA-N 0 0 427.554 5.095 50 30 IKEARN CSC(=S)[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000039931750 569482092 /nfs/dbraw/zinc/48/20/92/569482092.db2.gz GKAFHCYOKRXHOS-DEOSSOPVSA-N 0 0 427.554 5.095 50 30 IKEARN FC(F)(F)c1cccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)c1 ZINC000039931732 569482097 /nfs/dbraw/zinc/48/20/97/569482097.db2.gz FNULKUVSWHSAFH-UHFFFAOYSA-N 0 0 437.918 6.486 50 30 IKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)c1C ZINC000008886300 569483241 /nfs/dbraw/zinc/48/32/41/569483241.db2.gz NWCLVJQCBKLLNE-JTSKRJEESA-N 0 0 449.624 5.671 50 30 IKEARN CCCOc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000008892467 569483453 /nfs/dbraw/zinc/48/34/53/569483453.db2.gz QRFJIXQSKWMRLJ-KMRXNPHXSA-N 0 0 449.550 7.180 50 30 IKEARN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000040049308 569483876 /nfs/dbraw/zinc/48/38/76/569483876.db2.gz YFHUGTGNTPUARE-SJORKVTESA-N 0 0 444.560 5.034 50 30 IKEARN O=C(/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1)c1ccccc1 ZINC000008915581 569485547 /nfs/dbraw/zinc/48/55/47/569485547.db2.gz ITKBAFZKQLIQIV-CAPFRKAQSA-N 0 0 425.871 7.165 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3C)ccc2C1=O ZINC000008917918 569486147 /nfs/dbraw/zinc/48/61/47/569486147.db2.gz OMJUPSSJNPSREE-ROTLSHHCSA-N 0 0 432.472 5.216 50 30 biogenic IKEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)c1 ZINC000008917993 569486170 /nfs/dbraw/zinc/48/61/70/569486170.db2.gz GJIBXGDDPKVINT-ZSVMCKMMSA-N 0 0 428.440 5.095 50 30 biogenic IKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008921366 569486827 /nfs/dbraw/zinc/48/68/27/569486827.db2.gz XDMMNKSTZOZEBT-NRFANRHFSA-N 0 0 448.544 5.448 50 30 IKEARN CN1CCc2c(sc(/N=C/c3ccccc3Cl)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000008923781 569487044 /nfs/dbraw/zinc/48/70/44/569487044.db2.gz HGTVCTQKXFJZAW-BRJLIKDPSA-N 0 0 444.387 6.046 50 30 IKEARN CN1CCc2c(sc(/N=C/c3ccccc3F)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000008923777 569487064 /nfs/dbraw/zinc/48/70/64/569487064.db2.gz JOZJHVDGWOSZEJ-BRJLIKDPSA-N 0 0 427.932 5.531 50 30 IKEARN Cc1ccc(NC=C2SC(=Nc3ccc(C4CCCCC4)cc3)N(C)C2=O)cc1Cl ZINC000008927952 569487342 /nfs/dbraw/zinc/48/73/42/569487342.db2.gz FEOYDAIPBVXBKG-VBMYQUNLSA-N 0 0 440.012 6.842 50 30 IKEARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)C=CC=Cc3ccccc3)C2=O)c1 ZINC000008927842 569487362 /nfs/dbraw/zinc/48/73/62/569487362.db2.gz PSFVPAFHAATMEL-OUKPMHHTSA-N 0 0 437.539 5.267 50 30 IKEARN Cc1c(C#N)c(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Br)cc1 ZINC000008934136 569487918 /nfs/dbraw/zinc/48/79/18/569487918.db2.gz ZAZGPSFUYLVTJS-UHFFFAOYSA-N 0 0 438.369 5.401 50 30 IKEARN Nc1ccc(Cc2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000008934596 569487966 /nfs/dbraw/zinc/48/79/66/569487966.db2.gz XPJRZJVEPMVSFQ-UHFFFAOYSA-N 0 0 437.543 5.048 50 30 IKEARN C=CCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000008934548 569487973 /nfs/dbraw/zinc/48/79/73/569487973.db2.gz FWFBMORQGDLJPJ-GOSISDBHSA-N 0 0 449.338 5.449 50 30 IKEARN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H]2c2cccs2)c1C#N ZINC000008936456 569488000 /nfs/dbraw/zinc/48/80/00/569488000.db2.gz ACGLIPLICULNBP-OAQYLSRUSA-N 0 0 436.556 5.001 50 30 IKEARN C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)cc1 ZINC000008952264 569490023 /nfs/dbraw/zinc/49/00/23/569490023.db2.gz RZKMYTZIOJIAPY-ZMOGYAJESA-N 0 0 446.370 5.030 50 30 IKEARN CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@H]1c1ccc(F)cc1 ZINC000008965001 569491245 /nfs/dbraw/zinc/49/12/45/569491245.db2.gz BTMOUTKVMTXKRI-SFHVURJKSA-N 0 0 440.927 5.774 50 30 IKEARN N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1 ZINC000040140470 569491638 /nfs/dbraw/zinc/49/16/38/569491638.db2.gz QZLAYNKWUAXCBM-KGLIPLIRSA-N 0 0 426.489 5.009 50 30 IKEARN C=CCN(C(=O)CSc1nnc(Cc2ccccc2)o1)c1nc(-c2ccccc2)cs1 ZINC000008966283 569491713 /nfs/dbraw/zinc/49/17/13/569491713.db2.gz IITVMJLXJKBFMV-UHFFFAOYSA-N 0 0 448.573 5.095 50 30 IKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000040152477 569493451 /nfs/dbraw/zinc/49/34/51/569493451.db2.gz FTGQIYPHKLMWPA-UHFFFAOYSA-N 0 0 447.523 5.671 50 30 IKEARN N#Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2Cl)Cc2cccc(F)c2)cc1 ZINC000040158293 569494544 /nfs/dbraw/zinc/49/45/44/569494544.db2.gz LHJHMHUWYODGKK-UHFFFAOYSA-N 0 0 425.866 5.131 50 30 IKEARN CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(C(F)(F)F)c2C1 ZINC000008992205 569495313 /nfs/dbraw/zinc/49/53/13/569495313.db2.gz PPYSDCPHSOLLIL-CQSZACIVSA-N 0 0 438.946 7.069 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)c2ccccc21 ZINC000008993395 569495428 /nfs/dbraw/zinc/49/54/28/569495428.db2.gz DQNPXMGSPSHECL-OFJVMFQISA-N 0 0 449.506 6.205 50 30 IKEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000009008751 569496273 /nfs/dbraw/zinc/49/62/73/569496273.db2.gz XTXKQCXRYHKGAZ-LJQANCHMSA-N 0 0 438.936 5.505 50 30 IKEARN Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009015443 569496726 /nfs/dbraw/zinc/49/67/26/569496726.db2.gz GGQVKOBJGQNUHL-ZHSJKAEUSA-N 0 0 440.455 5.086 50 30 IKEARN CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009019412 569496893 /nfs/dbraw/zinc/49/68/93/569496893.db2.gz DDCGVESJPRQDSU-UIAIJNLVSA-N 0 0 430.577 5.150 50 30 IKEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000009019927 569496993 /nfs/dbraw/zinc/49/69/93/569496993.db2.gz FUBHKXHBINXWTC-QFIPXVFZSA-N 0 0 433.891 5.440 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(Cl)cc1 ZINC000009042550 569497798 /nfs/dbraw/zinc/49/77/98/569497798.db2.gz LBSGRTAVMWOUBO-HXUWFJFHSA-N 0 0 448.872 6.045 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1 ZINC000009046408 569498370 /nfs/dbraw/zinc/49/83/70/569498370.db2.gz WITXNGJCWMBPKR-OAQYLSRUSA-N 0 0 444.487 5.527 50 30 IKEARN O=C(/C=C/c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1 ZINC000009075297 569500197 /nfs/dbraw/zinc/50/01/97/569500197.db2.gz PGZPXOLVWIKSEO-ZHACJKMWSA-N 0 0 440.421 5.024 50 30 IKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000009082830 569500548 /nfs/dbraw/zinc/50/05/48/569500548.db2.gz CYZDTEZSZIBLNC-MHZLTWQESA-N 0 0 446.591 6.419 50 30 IKEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000009095308 569501355 /nfs/dbraw/zinc/50/13/55/569501355.db2.gz BNQQRPLVSYHYJD-UHFFFAOYSA-N 0 0 443.934 5.737 50 30 IKEARN CCc1cccc(C)c1/N=C1/N=C(N2CCOCC2)N(c2ccc(C)cc2)C12CCCCC2 ZINC000009113833 569502543 /nfs/dbraw/zinc/50/25/43/569502543.db2.gz AXAIDBXKQHQGMY-PBBVDAKRSA-N 0 0 444.623 5.807 50 30 IKEARN CCOc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC ZINC000245309126 569502547 /nfs/dbraw/zinc/50/25/47/569502547.db2.gz BJDCCWRIZUGCMN-SNLUFJLXSA-N 0 0 436.548 5.967 50 30 IKEARN C=CCn1cc(OC(=O)CCCCC)c2c3nc4ccccc4n3c(CCCCC)nc21 ZINC000009124198 569504245 /nfs/dbraw/zinc/50/42/45/569504245.db2.gz CQPCPDAAKXBLTB-UHFFFAOYSA-N 0 0 432.568 6.242 50 30 IKEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000009124688 569504405 /nfs/dbraw/zinc/50/44/05/569504405.db2.gz GIOTYPOMJYHBOR-BXKMTCNYSA-N 0 0 426.907 5.500 50 30 IKEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000009124691 569504407 /nfs/dbraw/zinc/50/44/07/569504407.db2.gz GIOTYPOMJYHBOR-OSPHWJPCSA-N 0 0 426.907 5.500 50 30 IKEARN Cc1ccc(C[C@@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000009127133 569505092 /nfs/dbraw/zinc/50/50/92/569505092.db2.gz FTXQUHLYBKMXMY-XXBNENTESA-N 0 0 449.599 5.489 50 30 IKEARN Cc1ccc(C[C@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000009127136 569505113 /nfs/dbraw/zinc/50/51/13/569505113.db2.gz FTXQUHLYBKMXMY-WMZHIEFXSA-N 0 0 449.599 5.489 50 30 IKEARN CCc1ccc(-c2nc(C)c(C(=O)C=C3NCCc4cc(OC)c(OC)cc43)s2)cc1 ZINC000009129155 569505682 /nfs/dbraw/zinc/50/56/82/569505682.db2.gz KXYVMHWSVNSIQI-ZHZULCJRSA-N 0 0 434.561 5.068 50 30 IKEARN CN(C)c1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1 ZINC000009129367 569505706 /nfs/dbraw/zinc/50/57/06/569505706.db2.gz QXJIZEDAZFEIDY-OAQYLSRUSA-N 0 0 442.559 5.121 50 30 biogenic IKEARN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)c2c[nH]c3ccccc32)c1OC ZINC000009129464 569505748 /nfs/dbraw/zinc/50/57/48/569505748.db2.gz WOOGOCIEDKHGGR-OAQYLSRUSA-N 0 0 442.475 5.209 50 30 IKEARN CCc1nc2sc3c(c2c(=O)n1/N=C/c1c2ccccc2cc2ccccc21)CCCC3 ZINC000009144573 569507311 /nfs/dbraw/zinc/50/73/11/569507311.db2.gz VQDVPEUZVOLXPV-LQKURTRISA-N 0 0 437.568 6.088 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@H]2c1cccc(Br)c1 ZINC000009152906 569507902 /nfs/dbraw/zinc/50/79/02/569507902.db2.gz XKEPVSNMDWHMTM-IBGZPJMESA-N 0 0 448.364 6.040 50 30 IKEARN COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009152914 569507942 /nfs/dbraw/zinc/50/79/42/569507942.db2.gz KBQUSGHVQXUMDC-QFIPXVFZSA-N 0 0 443.547 5.603 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1ccccc1F ZINC000009159737 569508660 /nfs/dbraw/zinc/50/86/60/569508660.db2.gz JHWMCDOEEBXIEY-JAIQZWGSSA-N 0 0 439.236 5.424 50 30 IKEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)c(C)c2)CC1=O ZINC000009191678 569510640 /nfs/dbraw/zinc/51/06/40/569510640.db2.gz XHFWNDUQKMPAKG-IBGZPJMESA-N 0 0 437.971 5.359 50 30 IKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1 ZINC000009216571 569512145 /nfs/dbraw/zinc/51/21/45/569512145.db2.gz KHMPSGMVRIWTHT-UKILVPOCSA-N 0 0 427.460 5.402 50 30 IKEARN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc4cccnc43)c2C#N)cc1 ZINC000009222251 569512697 /nfs/dbraw/zinc/51/26/97/569512697.db2.gz SEHYZRUDIJDDCJ-UHFFFAOYSA-N 0 0 440.528 5.216 50 30 IKEARN Cc1cc(C)c(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c(Cl)c1 ZINC000009223522 569512978 /nfs/dbraw/zinc/51/29/78/569512978.db2.gz QDZPAGWMNMSOAI-UHFFFAOYSA-N 0 0 434.952 5.669 50 30 IKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009233996 569513941 /nfs/dbraw/zinc/51/39/41/569513941.db2.gz CATUEGNQZGESCX-OAQYLSRUSA-N 0 0 444.487 5.527 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009234756 569513962 /nfs/dbraw/zinc/51/39/62/569513962.db2.gz VKFFDQKYTSFJKJ-FQEVSTJZSA-N 0 0 430.485 5.289 50 30 IKEARN C=CCn1c2ccccc2nc1SCc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000009245340 569515259 /nfs/dbraw/zinc/51/52/59/569515259.db2.gz XEDDPPSYOVSQAQ-UHFFFAOYSA-N 0 0 448.617 5.769 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Br)cc1 ZINC000009246553 569515426 /nfs/dbraw/zinc/51/54/26/569515426.db2.gz KQWHDJSPWCHABU-LJQANCHMSA-N 0 0 434.333 5.387 50 30 IKEARN C=C(C)CSc1nn(CC(=C)C)c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000009250942 569515741 /nfs/dbraw/zinc/51/57/41/569515741.db2.gz FWJWDMASYPTBJP-UHFFFAOYSA-N 0 0 432.593 5.170 50 30 biogenic IKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 ZINC000009271117 569517787 /nfs/dbraw/zinc/51/77/87/569517787.db2.gz MCVJPECZYLSNJA-NRFANRHFSA-N 0 0 442.496 5.088 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009272349 569517896 /nfs/dbraw/zinc/51/78/96/569517896.db2.gz BFBQHFCODFMFJQ-FQEVSTJZSA-N 0 0 442.298 5.673 50 30 IKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1 ZINC000009272164 569517952 /nfs/dbraw/zinc/51/79/52/569517952.db2.gz DKVHLNFWHOMDQL-GORDUTHDSA-N 0 0 440.710 5.374 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009272964 569517976 /nfs/dbraw/zinc/51/79/76/569517976.db2.gz BNCHRZHHDKYFIN-QFIPXVFZSA-N 0 0 440.524 5.696 50 30 IKEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000009272871 569518027 /nfs/dbraw/zinc/51/80/27/569518027.db2.gz IRYULHGESAUXQR-NRFANRHFSA-N 0 0 448.316 5.540 50 30 IKEARN COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1 ZINC000009281037 569518587 /nfs/dbraw/zinc/51/85/87/569518587.db2.gz GATAVEFWMRFZKW-FMCGGJTJSA-N 0 0 438.838 5.366 50 30 IKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2ccccc2nc1Cl ZINC000009291166 569519816 /nfs/dbraw/zinc/51/98/16/569519816.db2.gz KYJHRUCURXVAEH-CCVNUDIWSA-N 0 0 438.922 5.878 50 30 IKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2Cl)CC1 ZINC000009291883 569519860 /nfs/dbraw/zinc/51/98/60/569519860.db2.gz LRDDZEVYDOZQAT-UHFFFAOYSA-N 0 0 441.966 5.376 50 30 IKEARN O=[N+]([O-])c1ccccc1-c1ccc(CN=Nc2ncnc3scc(-c4ccccc4)c32)o1 ZINC000009291752 569519880 /nfs/dbraw/zinc/51/98/80/569519880.db2.gz RFGYULNXBKUNBG-RPPGKUMJSA-N 0 0 441.472 5.973 50 30 IKEARN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000009305708 569521280 /nfs/dbraw/zinc/52/12/80/569521280.db2.gz LTLKXHYORSIHQV-BLEOTABNSA-N 0 0 442.584 6.506 50 30 IKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N[C@H](C)c2ccccc2)cc1 ZINC000009308085 569521451 /nfs/dbraw/zinc/52/14/51/569521451.db2.gz VDOMZKUFTRTACE-OAQYLSRUSA-N 0 0 430.555 6.740 50 30 IKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCCn2ccnc2)cc1 ZINC000009308153 569521453 /nfs/dbraw/zinc/52/14/53/569521453.db2.gz GNCZBMIBVFONFQ-UHFFFAOYSA-N 0 0 434.547 5.266 50 30 IKEARN Cc1c(C#N)c2nc3ccccc3n2c(NC2CCCCC2)c1Cc1ccccc1Cl ZINC000009308524 569521521 /nfs/dbraw/zinc/52/15/21/569521521.db2.gz GUINMQIAKLRUJN-UHFFFAOYSA-N 0 0 428.967 6.656 50 30 IKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009336854 569523468 /nfs/dbraw/zinc/52/34/68/569523468.db2.gz PFHTWKMAXNYENN-UHFFFAOYSA-N 0 0 448.979 5.537 50 30 IKEARN COc1cc(C(=O)N=C2Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000009340102 569523774 /nfs/dbraw/zinc/52/37/74/569523774.db2.gz XAXXPBMVXIXMNA-HSZRJFAPSA-N 0 0 443.503 5.253 50 30 IKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc3ccccc32)s1 ZINC000009339454 569523813 /nfs/dbraw/zinc/52/38/13/569523813.db2.gz ZTEXITHKHWRTMF-NRFANRHFSA-N 0 0 441.512 5.091 50 30 IKEARN O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000009341735 569523884 /nfs/dbraw/zinc/52/38/84/569523884.db2.gz ZHSXGZNCWRLPAZ-AMMSGCIUSA-N 0 0 437.278 6.228 50 30 IKEARN COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 ZINC000009344880 569524100 /nfs/dbraw/zinc/52/41/00/569524100.db2.gz XMHJAHMAVCZNBK-QAYGKXGKSA-N 0 0 449.580 5.049 50 30 IKEARN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 ZINC000009353283 569524935 /nfs/dbraw/zinc/52/49/35/569524935.db2.gz CAMUSEPURBNFJG-NTEUORMPSA-N 0 0 426.428 5.008 50 30 IKEARN CC(=O)c1c(-c2ccccc2)nc2c(C#N)c(C)n(-c3ccccc3)c2c1-c1ccccc1 ZINC000009353375 569524944 /nfs/dbraw/zinc/52/49/44/569524944.db2.gz UJOIYMNSRZBMPK-UHFFFAOYSA-N 0 0 427.507 6.742 50 30 IKEARN CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1 ZINC000009358285 569525588 /nfs/dbraw/zinc/52/55/88/569525588.db2.gz WYVIQTDQUKLAOC-HHHXNRCGSA-N 0 0 446.591 6.419 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009370880 569526880 /nfs/dbraw/zinc/52/68/80/569526880.db2.gz QHLYBKWHGDWSFG-NRFANRHFSA-N 0 0 438.310 6.085 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000009373813 569527090 /nfs/dbraw/zinc/52/70/90/569527090.db2.gz CTGSYTYMMWJPPE-NRFANRHFSA-N 0 0 444.487 5.527 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009373725 569527107 /nfs/dbraw/zinc/52/71/07/569527107.db2.gz VONWDIDJWONXBY-BVZFJXPGSA-N 0 0 439.511 5.097 50 30 IKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc(F)cc1)CCCC2 ZINC000009375586 569527183 /nfs/dbraw/zinc/52/71/83/569527183.db2.gz JQLDIHIIGNBHBX-UHFFFAOYSA-N 0 0 436.939 6.267 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl ZINC000009374861 569527224 /nfs/dbraw/zinc/52/72/24/569527224.db2.gz RGKVZZAQWZAPHF-OAQYLSRUSA-N 0 0 448.862 5.340 50 30 IKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009379858 569527804 /nfs/dbraw/zinc/52/78/04/569527804.db2.gz ALMHUHLBSFVWIG-JOCHJYFZSA-N 0 0 449.890 5.140 50 30 IKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1 ZINC000009380129 569527827 /nfs/dbraw/zinc/52/78/27/569527827.db2.gz RWXQMXUNKHPHCM-NRFANRHFSA-N 0 0 448.316 5.540 50 30 IKEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009380536 569527877 /nfs/dbraw/zinc/52/78/77/569527877.db2.gz STGLCLJCVUQQJK-HXUWFJFHSA-N 0 0 440.337 5.337 50 30 IKEARN COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000009380226 569527910 /nfs/dbraw/zinc/52/79/10/569527910.db2.gz MGLATFUNRHULEZ-OGNZMEIHSA-N 0 0 429.447 5.017 50 30 IKEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000009380693 569528013 /nfs/dbraw/zinc/52/80/13/569528013.db2.gz DQABYKGBWCPQHX-IBGZPJMESA-N 0 0 428.326 5.136 50 30 IKEARN N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4ccccc4Cl)o3)cc2)cc1 ZINC000009415022 569532105 /nfs/dbraw/zinc/53/21/05/569532105.db2.gz YRPMJQBUZUWBPI-UHFFFAOYSA-N 0 0 447.903 5.626 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1ccccc1Cl ZINC000009419626 569532531 /nfs/dbraw/zinc/53/25/31/569532531.db2.gz HIAXUMMNQYNGAQ-JAIQZWGSSA-N 0 0 447.295 5.377 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)N(c1ccccc1)c1ccccc1 ZINC000009419854 569532611 /nfs/dbraw/zinc/53/26/11/569532611.db2.gz UZVVTXSERABMND-ULJHMMPZSA-N 0 0 439.492 6.701 50 30 IKEARN CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 ZINC000009420591 569532670 /nfs/dbraw/zinc/53/26/70/569532670.db2.gz FBNASVVGMBAFSK-GFCCVEGCSA-N 0 0 427.536 5.130 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccco4)c3C)C2=O)c2cc(OC)ccc21 ZINC000009421892 569532778 /nfs/dbraw/zinc/53/27/78/569532778.db2.gz JERPKLSNTQTINY-FSJBWODESA-N 0 0 443.455 5.407 50 30 IKEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4)c3C)C1=O)cn2C ZINC000009421991 569532838 /nfs/dbraw/zinc/53/28/38/569532838.db2.gz DLHKJDIVTWAODG-DHRITJCHSA-N 0 0 425.484 5.691 50 30 IKEARN COc1cccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)c1 ZINC000009422447 569532839 /nfs/dbraw/zinc/53/28/39/569532839.db2.gz XSIAUQGZEQIJLK-UHFFFAOYSA-N 0 0 449.498 5.370 50 30 IKEARN Cc1c2c(ccc1OC(=O)c1ccccc1F)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009422695 569532873 /nfs/dbraw/zinc/53/28/73/569532873.db2.gz RZDOLDJTKJQRIO-YDZHTSKRSA-N 0 0 427.431 5.461 50 30 IKEARN Cc1c2c(ccc1OCc1ccc(Cl)cc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009422978 569532920 /nfs/dbraw/zinc/53/29/20/569532920.db2.gz VRYCFNBHOQHNDY-ZMOGYAJESA-N 0 0 429.903 6.335 50 30 IKEARN COc1ccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 ZINC000009423513 569532932 /nfs/dbraw/zinc/53/29/32/569532932.db2.gz SSXRZBWBNNBAIX-AFUMVMLFSA-N 0 0 425.484 5.691 50 30 IKEARN CCn1cc(/C=C2/Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c2ccccc21 ZINC000009423358 569532958 /nfs/dbraw/zinc/53/29/58/569532958.db2.gz ATJSAJFWWHJFQK-JFLMPSFJSA-N 0 0 437.539 6.782 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(OCC)cc2)C1=O ZINC000009434647 569534749 /nfs/dbraw/zinc/53/47/49/569534749.db2.gz RVVCUTSUDHDJGC-QGOAFFKASA-N 0 0 429.925 5.282 50 30 IKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009436532 569534915 /nfs/dbraw/zinc/53/49/15/569534915.db2.gz YXFZMSMIGYMCDQ-OAQYLSRUSA-N 0 0 437.879 5.110 50 30 IKEARN CCCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000009457633 569536768 /nfs/dbraw/zinc/53/67/68/569536768.db2.gz ZPBMBACIKDGMLR-AXMNZLFYSA-N 0 0 429.973 5.373 50 30 IKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009461025 569537045 /nfs/dbraw/zinc/53/70/45/569537045.db2.gz FXHGIRNXNZEHNV-OAQYLSRUSA-N 0 0 444.512 5.796 50 30 IKEARN CCCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000009461650 569537093 /nfs/dbraw/zinc/53/70/93/569537093.db2.gz NMMJOEFPUHGEBF-MLKPGFSBSA-N 0 0 445.588 5.873 50 30 IKEARN CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000009462448 569537284 /nfs/dbraw/zinc/53/72/84/569537284.db2.gz OOFYOLZPPLKISU-DRNJXZDHSA-N 0 0 430.371 5.083 50 30 IKEARN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000009464616 569537742 /nfs/dbraw/zinc/53/77/42/569537742.db2.gz GRPULRAITOAXSH-OAQYLSRUSA-N 0 0 448.862 5.340 50 30 IKEARN COc1ccc2c(c1)nc(SCC(=O)[C@H](C#N)c1nc(C)cs1)cc2-c1ccccc1 ZINC000009465038 569537880 /nfs/dbraw/zinc/53/78/80/569537880.db2.gz NYKLDOIUVRAZKW-FQEVSTJZSA-N 0 0 445.569 5.644 50 30 IKEARN C[C@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)Nc1sccc1C#N ZINC000009468964 569538763 /nfs/dbraw/zinc/53/87/63/569538763.db2.gz OPIKJLZJGMSRJN-AWEZNQCLSA-N 0 0 431.546 5.426 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000009472410 569538941 /nfs/dbraw/zinc/53/89/41/569538941.db2.gz CGNMNWIRDOOKSD-HSZRJFAPSA-N 0 0 447.506 5.803 50 30 IKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1F ZINC000009472402 569539004 /nfs/dbraw/zinc/53/90/04/569539004.db2.gz PLILWHSEBIIFHH-HXUWFJFHSA-N 0 0 425.843 5.159 50 30 IKEARN COc1cccc(-n2c3nc(SCC#N)n4c5ccccc5nc4c3sc2=S)c1 ZINC000009474076 569539063 /nfs/dbraw/zinc/53/90/63/569539063.db2.gz ZXPXRUIYJBYFAL-UHFFFAOYSA-N 0 0 435.559 5.242 50 30 IKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O ZINC000009476698 569539084 /nfs/dbraw/zinc/53/90/84/569539084.db2.gz OFJJUNUHELSILW-LUTOAVKISA-N 0 0 444.483 5.421 50 30 IKEARN O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1cccc(Cl)c1 ZINC000009486218 569539584 /nfs/dbraw/zinc/53/95/84/569539584.db2.gz XPGHZIMFXBSDLN-JAIQZWGSSA-N 0 0 447.295 5.377 50 30 IKEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)c1ccccc1 ZINC000009486257 569539602 /nfs/dbraw/zinc/53/96/02/569539602.db2.gz ZFANWYHKOXQKNJ-FBHDLOMBSA-N 0 0 434.831 5.042 50 30 IKEARN C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1C1CCCCC1 ZINC000009492073 569540491 /nfs/dbraw/zinc/54/04/91/569540491.db2.gz ZKCFLTBIRMLMFS-AWEZNQCLSA-N 0 0 429.615 5.280 50 30 IKEARN C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1C1CCCCC1 ZINC000009492072 569540515 /nfs/dbraw/zinc/54/05/15/569540515.db2.gz ZKCFLTBIRMLMFS-CQSZACIVSA-N 0 0 429.615 5.280 50 30 IKEARN C=CCn1c(COc2ccccc2F)nnc1SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009492127 569540530 /nfs/dbraw/zinc/54/05/30/569540530.db2.gz ALIAZMWIIPERKD-UHFFFAOYSA-N 0 0 441.572 5.060 50 30 IKEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009494405 569540916 /nfs/dbraw/zinc/54/09/16/569540916.db2.gz BDWARKGJTKUSIN-KRWDZBQOSA-N 0 0 429.611 5.233 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2Br)C1 ZINC000009495996 569541158 /nfs/dbraw/zinc/54/11/58/569541158.db2.gz BUCZZPGFJTTWJZ-FQEVSTJZSA-N 0 0 440.316 5.596 50 30 IKEARN CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2Br)C1 ZINC000009495998 569541184 /nfs/dbraw/zinc/54/11/84/569541184.db2.gz BUCZZPGFJTTWJZ-HXUWFJFHSA-N 0 0 440.316 5.596 50 30 IKEARN CN(Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)[C@@H]1CCCc2ccccc21 ZINC000009499138 569541418 /nfs/dbraw/zinc/54/14/18/569541418.db2.gz UHDLVPVHQBJGHS-JOCHJYFZSA-N 0 0 440.572 5.158 50 30 IKEARN C=CCn1c(SCC(=O)NCc2ccc(Cl)cc2Cl)nnc1C1CCCCC1 ZINC000009507799 569542145 /nfs/dbraw/zinc/54/21/45/569542145.db2.gz ULUJQQUOZIGKQF-UHFFFAOYSA-N 0 0 439.412 5.227 50 30 IKEARN CCCCCOc1ccc(/C=N/N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1 ZINC000009514057 569543152 /nfs/dbraw/zinc/54/31/52/569543152.db2.gz ZZZCASQHTLXFSC-MTNYMUFXSA-N 0 0 443.616 6.563 50 30 IKEARN CCOC(=O)[C@](C#N)(Cc1c(F)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000009530653 569545005 /nfs/dbraw/zinc/54/50/05/569545005.db2.gz OOSISOAQXUCCMB-KRWDZBQOSA-N 0 0 435.204 5.113 50 30 IKEARN CCOC(=O)[C@@](C#N)(Cc1c(F)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000009530655 569545027 /nfs/dbraw/zinc/54/50/27/569545027.db2.gz OOSISOAQXUCCMB-QGZVFWFLSA-N 0 0 435.204 5.113 50 30 IKEARN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)c1 ZINC000009530491 569545032 /nfs/dbraw/zinc/54/50/32/569545032.db2.gz CJICIXXDVDZADR-VROXFSQNSA-N 0 0 448.902 6.019 50 30 IKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1Cc1ccccc1)CCC3 ZINC000009553747 569546743 /nfs/dbraw/zinc/54/67/43/569546743.db2.gz FDQRMKXRVWOAHI-DHRITJCHSA-N 0 0 434.952 5.094 50 30 IKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3F)sc2C1 ZINC000009553777 569546752 /nfs/dbraw/zinc/54/67/52/569546752.db2.gz YTFOFHPHFLKROS-CYBMUJFWSA-N 0 0 429.586 5.427 50 30 IKEARN Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009575284 569547927 /nfs/dbraw/zinc/54/79/27/569547927.db2.gz SCVOZDPFOPEBOP-YEJXKQKISA-N 0 0 441.314 5.954 50 30 IKEARN N#Cc1cccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 ZINC000009584120 569549325 /nfs/dbraw/zinc/54/93/25/569549325.db2.gz VZAKXLBXBGTEHZ-UHFFFAOYSA-N 0 0 426.910 5.207 50 30 IKEARN COc1ccc2c(c1)nc(SCC(=O)Nc1sccc1C#N)cc2-c1ccccc1 ZINC000009593841 569550458 /nfs/dbraw/zinc/55/04/58/569550458.db2.gz ZDSLJQJBRFRBJD-UHFFFAOYSA-N 0 0 431.542 5.574 50 30 IKEARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597277 569550860 /nfs/dbraw/zinc/55/08/60/569550860.db2.gz ZBAISACIXZAJKW-JOCHJYFZSA-N 0 0 442.563 5.352 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@@H](c3cccc(Cl)c3)C12 ZINC000009597396 569550928 /nfs/dbraw/zinc/55/09/28/569550928.db2.gz WVALXGHEJZMJIN-FQEVSTJZSA-N 0 0 440.931 5.385 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@H]2c1ccc(Br)cc1 ZINC000009597504 569550929 /nfs/dbraw/zinc/55/09/29/569550929.db2.gz LMXNIIPRPXQZDN-IBGZPJMESA-N 0 0 448.364 6.040 50 30 IKEARN CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597341 569550947 /nfs/dbraw/zinc/55/09/47/569550947.db2.gz RRBLGNUYBZGXNA-HSZRJFAPSA-N 0 0 440.591 5.906 50 30 IKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000009601022 569551527 /nfs/dbraw/zinc/55/15/27/569551527.db2.gz YDSDGVVXZWVWDR-JRPXNJEYSA-N 0 0 445.518 6.636 50 30 IKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@@H](c3cccs3)C12 ZINC000009608550 569552135 /nfs/dbraw/zinc/55/21/35/569552135.db2.gz NRXZLRQOWQBRAK-SFHVURJKSA-N 0 0 428.970 5.307 50 30 IKEARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009608806 569552185 /nfs/dbraw/zinc/55/21/85/569552185.db2.gz ZRZQVYAFRNBQQO-QGZVFWFLSA-N 0 0 427.545 5.002 50 30 IKEARN C=CCn1c2ccccc2nc1SCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009609741 569552447 /nfs/dbraw/zinc/55/24/47/569552447.db2.gz NAMDDMJRMHHDQM-QGZVFWFLSA-N 0 0 448.617 5.330 50 30 IKEARN CCC1=Nc2ccccc2NC(=NC(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009614641 569553148 /nfs/dbraw/zinc/55/31/48/569553148.db2.gz FVVMCHXBZDNGSR-XMMPIXPASA-N 0 0 427.504 5.635 50 30 IKEARN N#Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000009635608 569554688 /nfs/dbraw/zinc/55/46/88/569554688.db2.gz RBGSJPPYPYKLIH-UHFFFAOYSA-N 0 0 437.450 5.512 50 30 IKEARN N#Cc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1 ZINC000009664817 569557450 /nfs/dbraw/zinc/55/74/50/569557450.db2.gz RPVKRKSFFOSTGE-UHFFFAOYSA-N 0 0 436.298 5.526 50 30 IKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(N(CC)CC)cc2)C1=O ZINC000009721113 569563368 /nfs/dbraw/zinc/56/33/68/569563368.db2.gz MEQUTJZTPBHKBG-PGMHBOJBSA-N 0 0 436.577 5.385 50 30 IKEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccc(OC)cc4)nn32)cc1 ZINC000009731769 569564687 /nfs/dbraw/zinc/56/46/87/569564687.db2.gz PADYTMQKGGZNIK-HSZRJFAPSA-N 0 0 444.535 5.011 50 30 IKEARN COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000009731751 569564689 /nfs/dbraw/zinc/56/46/89/569564689.db2.gz PICFJCZRKKWVTR-OAQYLSRUSA-N 0 0 434.927 5.265 50 30 IKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3F)c2C#N)cc1 ZINC000009761301 569566226 /nfs/dbraw/zinc/56/62/26/569566226.db2.gz GSPHTTDFEQTTHH-UHFFFAOYSA-N 0 0 426.516 6.727 50 30 IKEARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)c1 ZINC000009762927 569566518 /nfs/dbraw/zinc/56/65/18/569566518.db2.gz JEUWQKBPCPMTGM-PQHDRGKASA-N 0 0 443.572 5.198 50 30 IKEARN COc1ccc2ccccc2c1[C@H]1N=C(SCc2ccccc2C#N)NC(C)=C1C(C)=O ZINC000009781514 569567601 /nfs/dbraw/zinc/56/76/01/569567601.db2.gz FTVVYLCMCNFUBV-VWLOTQADSA-N 0 0 441.556 5.517 50 30 IKEARN Cc1csc([C@H](C#N)C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)n1 ZINC000009788900 569568002 /nfs/dbraw/zinc/56/80/02/569568002.db2.gz HVUPMRPYHFXBLL-OAHLLOKOSA-N 0 0 436.587 5.400 50 30 IKEARN Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1 ZINC000009788866 569568007 /nfs/dbraw/zinc/56/80/07/569568007.db2.gz JBBXAOFOEKGSQC-CQSZACIVSA-N 0 0 443.642 5.413 50 30 IKEARN Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1-c1ccccc1 ZINC000009789160 569568085 /nfs/dbraw/zinc/56/80/85/569568085.db2.gz RQSKGOIKLHKSJG-UHFFFAOYSA-N 0 0 448.596 5.102 50 30 IKEARN CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000009805305 569568642 /nfs/dbraw/zinc/56/86/42/569568642.db2.gz SDHHXLUJMMYDQT-DFXYEROKSA-N 0 0 446.550 6.701 50 30 IKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000009805295 569568678 /nfs/dbraw/zinc/56/86/78/569568678.db2.gz WWNARZZRAGABCP-SANMLTNESA-N 0 0 442.515 5.478 50 30 IKEARN N#Cc1cccc(CSCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1 ZINC000009836303 569570715 /nfs/dbraw/zinc/57/07/15/569570715.db2.gz FSHDGGJKXKSZJS-OAQYLSRUSA-N 0 0 435.936 5.416 50 30 IKEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(Cl)cc3)nn21 ZINC000009856506 569571609 /nfs/dbraw/zinc/57/16/09/569571609.db2.gz SNJYYDUWHAAXGY-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2 ZINC000009856531 569571630 /nfs/dbraw/zinc/57/16/30/569571630.db2.gz PPEDSTPBPBKUJN-NRFANRHFSA-N 0 0 436.968 5.554 50 30 IKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009861228 569571935 /nfs/dbraw/zinc/57/19/35/569571935.db2.gz SVVDWRDMLAPSNF-OAQYLSRUSA-N 0 0 442.496 5.093 50 30 IKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000009861076 569571947 /nfs/dbraw/zinc/57/19/47/569571947.db2.gz CFHUCWZHPCKDJB-QFIPXVFZSA-N 0 0 432.907 5.641 50 30 IKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccc(O)c1 ZINC000009861371 569571989 /nfs/dbraw/zinc/57/19/89/569571989.db2.gz CHZDRLCOEPDHMX-SANMLTNESA-N 0 0 438.527 5.845 50 30 IKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000009861347 569572013 /nfs/dbraw/zinc/57/20/13/569572013.db2.gz CIVIGKKKQJSWFA-NDEPHWFRSA-N 0 0 445.607 6.230 50 30 IKEARN CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000009861348 569572027 /nfs/dbraw/zinc/57/20/27/569572027.db2.gz CIVIGKKKQJSWFA-MUUNZHRXSA-N 0 0 445.607 6.230 50 30 IKEARN CN(C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)C1(C#N)CCCCC1 ZINC000009884711 569572817 /nfs/dbraw/zinc/57/28/17/569572817.db2.gz OIKINODONJWNAF-UHFFFAOYSA-N 0 0 439.031 5.094 50 30 IKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CC)sc1SCC ZINC000009982600 569576547 /nfs/dbraw/zinc/57/65/47/569576547.db2.gz BSSAIYMLNNQSCM-LJQANCHMSA-N 0 0 433.639 5.590 50 30 IKEARN C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1C1CCCCC1 ZINC000009987561 569576768 /nfs/dbraw/zinc/57/67/68/569576768.db2.gz QQHRCHUFUTYYGG-UHFFFAOYSA-N 0 0 435.391 5.005 50 30 IKEARN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000009993307 569576920 /nfs/dbraw/zinc/57/69/20/569576920.db2.gz SDEWEGVSYLVQCF-HXUWFJFHSA-N 0 0 446.915 5.733 50 30 IKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013489 569577044 /nfs/dbraw/zinc/57/70/44/569577044.db2.gz UZWHFSOTMFIAEN-QFIPXVFZSA-N 0 0 438.930 5.722 50 30 IKEARN C=CCn1c(SCC(=O)NC[C@@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000010240199 569579735 /nfs/dbraw/zinc/57/97/35/569579735.db2.gz MZLNVSXRVNLUKL-QGZVFWFLSA-N 0 0 441.000 5.187 50 30 IKEARN COc1cc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc(OC)c1OC ZINC000010435159 569582198 /nfs/dbraw/zinc/58/21/98/569582198.db2.gz PCIGBRMWJUUTNV-FPEJUQHSSA-N 0 0 448.544 5.611 50 30 IKEARN Cc1ccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c(C)c1 ZINC000001864457 569584286 /nfs/dbraw/zinc/58/42/86/569584286.db2.gz SORLOHRIGAWADB-JVWAILMASA-N 0 0 440.572 6.393 50 30 IKEARN Cc1ccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1C ZINC000001850990 569584308 /nfs/dbraw/zinc/58/43/08/569584308.db2.gz XCPRMUFFFOGNGL-JVWAILMASA-N 0 0 440.572 6.393 50 30 IKEARN O=S(=O)(c1ccc(/N=C/c2cccs2)cc1)c1ccc(/N=C/c2cccs2)cc1 ZINC000017109161 569586936 /nfs/dbraw/zinc/58/69/36/569586936.db2.gz ATGSMFVSXNRYQU-DFEHQXHXSA-N 0 0 436.583 6.144 50 30 IKEARN CCCCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000102819570 569586963 /nfs/dbraw/zinc/58/69/63/569586963.db2.gz HUICPCAYOMVFRU-UHFFFAOYSA-N 0 0 428.492 5.004 50 30 IKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC(=O)NC)cc1 ZINC000100971085 569588182 /nfs/dbraw/zinc/58/81/82/569588182.db2.gz VKVOUWXECCYIHP-UHFFFAOYSA-N 0 0 432.649 7.605 50 30 IKEARN